Secondary structure calculation program - copyright by David Keith Smith, 1989
1ji2A.pdb
1JI2 HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 585
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 A 1 MET M 0 0 999.9 169.3 -179.6 999.9 999.9 999.9 0 0.0 3 -1.2 0 0.0 0 0.0 6 33
2 A 2 LEU L g > T - 0 0 -91.6 94.7 -178.3 -175.9 999.9 136.9 0 0.0 5 -1.4 0 0.0 0 0.0 7 32
3 A 3 LEU L G G > TS+ 0 0 -62.0 -29.7 -179.9 65.0 76.5 40.1 1 -1.2 6 -1.3 0 0.0 0 0.0 6 38
4 A 4 GLU E G G 3 TS+ 0 0 -69.1 -17.1 -179.4 52.6 101.1 45.5 0 0.0 0 0.0 0 0.0 0 0.0 5 27
5 A 5 ALA A G G < TS+ 0 0 -97.2 0.0 -179.8 98.1 88.0 64.2 2 -1.4 0 0.0 0 0.0 0 0.0 8 29
6 A 6 ILE I g < T - 0 0 -91.4 134.8 -177.9 -175.3 55.4 137.3 3 -1.3 0 0.0 0 0.0 0 0.0 10 49
7 A 7 PHE F B B A + 28 0 -142.1 144.1 176.2 142.8 20.4 169.7 28 -3.1 28 -2.1 0 0.0 0 0.0 8 50
8 A 8 HIS H - 0 0 -163.3 151.5 177.3 -168.8 15.9 162.5 0 0.0 0 0.0 0 0.0 0 0.0 8 55
9 A 9 GLU E - 0 0 -146.2 140.4 -178.2 -120.0 33.0 168.8 0 0.0 11 -1.8 0 0.0 0 0.0 8 47
10 A 10 ALA A S S S+ 0 0 -77.0 48.1 -179.8 32.5 89.9 101.2 0 0.0 0 0.0 0 0.0 0 0.0 11 47
11 A 11 LYS K S t > > TS+ 0 0 -175.0 -173.8 179.2 37.4 90.0 165.9 9 -1.8 14 -2.1 0 0.0 15 -0.9 8 49
12 A 12 GLY G T T 4 3 TS- 0 0 56.0 -124.1 -178.7 -15.8 122.3 106.1 0 0.0 0 0.0 0 0.0 0 0.0 11 44
13 A 13 SER S T T 4 3 TS+ 0 0 -93.6 -0.9 -179.3 55.8 138.0 64.5 0 0.0 0 0.0 0 0.0 0 0.0 12 50
14 A 14 TYR Y T e 4 < TS+ 0 0 -106.3 -15.6 176.3 24.4 117.7 52.2 11 -2.1 26 -2.7 0 0.0 0 0.0 13 57
15 A 15 ALA A E E TS- 22 0 -157.6 178.0 -178.5 -86.5 92.7 154.7 22 -1.1 22 -0.6 0 0.0 0 0.0 8 34
20 A 20 GLU E T T 3 TS+ 0 0 -69.0 -22.9 -179.4 30.4 127.2 43.0 0 0.0 0 0.0 0 0.0 0 0.0 10 31
21 A 21 THR T T e 3 TS+ 0 0 -120.0 12.9 -179.2 78.2 107.1 75.6 0 0.0 75 -2.9 0 0.0 0 0.0 11 35
22 A 22 GLN Q E E AAB< T - 19 74 -131.8 123.4 -179.4 -166.8 53.3 165.4 19 -0.6 18 -2.3 0 0.0 19 -1.1 13 49
23 A 23 LEU L E E AAB - 17 73 -111.6 119.0 178.1 -152.5 9.2 155.8 73 -2.3 73 -2.8 0 0.0 0 0.0 13 59
24 A 24 ARG R E E AAB - 16 72 -84.7 138.2 178.3 -172.8 17.4 132.9 16 -2.4 16 -2.0 0 0.0 0 0.0 13 65
25 A 25 VAL V E E AAB - 15 71 -135.1 138.4 -179.6 -168.7 4.8 176.8 71 -2.3 71 -2.5 0 0.0 0 0.0 12 67
26 A 26 ARG R E E A B - 0 70 -127.2 151.8 -179.3 -171.7 2.1 158.0 14 -2.7 0 0.0 0 0.0 0 0.0 13 61
27 A 27 LEU L E E A B - 0 69 -143.9 137.3 178.3 -155.0 7.2 176.6 69 -2.4 69 -3.3 0 0.0 0 0.0 11 69
28 A 28 ARG R E E AAB + 7 68 -116.2 149.4 -180.0 170.9 14.8 151.8 7 -2.1 7 -3.1 0 0.0 0 0.0 12 60
29 A 29 ALA A E E A B - 0 67 -147.2 157.0 179.9 -72.3 49.7 163.8 67 -1.6 67 -2.5 0 0.0 0 0.0 12 50
30 A 30 LYS K E E >A B> TS- 0 66 -53.4 137.1 -178.4 -86.9 71.8 106.6 0 0.0 33 -2.2 0 0.0 34 -0.6 12 36
31 A 31 LYS K T e 4 3 TS+ 0 0 -52.8 125.8 179.2 6.9 112.0 102.3 65 -2.8 0 0.0 0 0.0 0 0.0 11 37
32 A 32 GLY G T T 4 3 TS+ 0 0 88.4 -16.3 -178.5 102.9 102.7 79.4 0 0.0 0 0.0 0 0.0 0 0.0 8 34
33 A 33 ASP D T T 4 < TS+ 0 0 -67.6 -40.1 179.9 43.8 78.7 31.0 30 -2.2 0 0.0 0 0.0 0 0.0 10 37
34 A 34 VAL V t < T + 0 0 -114.0 132.5 -179.2 174.8 52.9 159.3 30 -0.6 0 0.0 0 0.0 0 0.0 14 48
35 A 35 VAL V S S S+ 0 0 -104.0 -26.9 179.9 29.9 73.4 46.8 87 -2.9 0 0.0 0 0.0 0 0.0 9 40
36 A 36 ARG R E E BC - 87 0 -140.8 131.4 179.5 -175.8 58.4 173.3 87 -1.8 87 -2.8 0 0.0 0 0.0 8 45
37 A 37 CYS C E E BC + 86 0 -128.1 119.3 179.7 175.7 11.2 169.9 0 0.0 57 -2.3 0 0.0 0 0.0 13 55
38 A 38 GLU E E E BCD - 85 56 -124.2 148.6 179.9 -143.6 19.2 159.2 85 -2.4 85 -3.2 0 0.0 40 -0.5 11 50
39 A 39 VAL V E E BCD - 84 55 -117.4 123.7 178.7 -165.8 7.3 161.8 55 -3.1 55 -1.7 0 0.0 41 -0.6 13 60
40 A 40 LEU L E E BCD + 83 54 -105.2 121.0 -177.4 159.8 28.4 158.1 83 -2.8 83 -2.5 38 -0.5 0 0.0 12 54
41 A 41 TYR Y E E BCD + 82 53 -142.5 168.4 179.4 167.2 19.8 156.1 53 -2.1 53 -3.0 39 -0.6 0 0.0 13 55
42 A 42 ALA A E E BC - 81 0 -167.7 167.7 178.4 -63.3 50.8 164.8 81 -2.2 81 -2.9 0 0.0 0 0.0 11 45
43 A 43 ASP D t > T - 0 0 -60.2 143.8 -178.6 -115.9 52.9 110.5 0 0.0 46 -2.1 0 0.0 0 0.0 11 38
44 A 44 ARG R T T 3 TS+ 0 0 -56.9 -24.3 179.7 47.4 114.8 43.9 0 0.0 0 0.0 0 0.0 0 0.0 9 37
45 A 45 TYR Y T T 3 TS+ 0 0 -100.5 8.5 -179.4 132.8 82.3 69.9 0 0.0 0 0.0 0 0.0 0 0.0 4 26
46 A 46 ALA A t < T - 0 0 -61.0 141.2 179.3 -100.1 67.0 106.0 43 -2.1 0 0.0 0 0.0 0 0.0 7 26
47 A 47 SER S t > T - 0 0 -60.7 143.7 -179.9 -118.4 27.8 107.6 0 0.0 50 -1.2 0 0.0 0 0.0 5 18
48 A 48 PRO P T T 3 TS+ 0 0 -61.9 -6.0 -179.7 54.8 113.5 54.9 0 0.0 0 0.0 0 0.0 0 0.0 4 22
49 A 49 GLU E T T 3 TS+ 0 0 -100.2 -23.6 -179.2 100.6 83.1 46.4 0 0.0 0 0.0 0 0.0 0 0.0 4 15
50 A 50 GLU E S t < TS- 0 0 -62.7 156.4 178.7 -99.6 81.2 101.1 47 -1.2 0 0.0 0 0.0 0 0.0 6 18
51 A 51 GLU E - 0 0 -75.6 147.8 179.5 -124.3 35.5 118.3 0 0.0 0 0.0 0 0.0 0 0.0 4 22
52 A 52 LEU L - 0 0 -94.1 145.3 178.4 -117.0 21.6 134.8 0 0.0 0 0.0 0 0.0 0 0.0 7 36
53 A 53 ALA A E E BD - 41 0 -76.1 155.8 -179.2 -131.6 29.7 116.4 41 -3.0 41 -2.1 0 0.0 0 0.0 7 36
54 A 54 HIS H E E BD + 40 0 -115.0 142.1 178.5 179.7 23.2 154.1 0 0.0 0 0.0 0 0.0 0 0.0 8 35
55 A 55 ALA A E E BD - 39 0 -142.0 118.7 179.8 -142.4 20.3 162.9 39 -1.7 39 -3.1 0 0.0 57 -0.5 11 36
56 A 56 LEU L E E BD - 38 0 -83.9 123.3 179.9 -146.4 13.6 135.2 0 0.0 58 -0.9 0 0.0 0 0.0 8 34
57 A 57 ALA A e - 0 0 -93.0 101.6 179.7 -151.5 15.8 141.7 37 -2.3 0 0.0 55 -0.5 0 0.0 13 43
58 A 58 GLY G E E AE - 70 0 -70.2 154.5 179.6 -96.4 29.8 108.5 70 -1.1 70 -2.9 56 -0.9 60 -1.0 8 36
59 A 59 LYS K E E AE - 69 0 -73.7 105.4 -178.6 -173.7 39.0 127.9 0 0.0 0 0.0 0 0.0 0 0.0 9 47
60 A 60 ALA A E E A* - 0 0 -75.0 -18.0 -180.0 -56.9 58.1 47.6 68 -1.9 0 0.0 58 -1.0 0 0.0 9 54
61 A 61 GLY G E E AE - 68 0 162.9 -179.0 178.7 -127.2 44.7 164.1 68 -1.3 68 -3.4 0 0.0 0 0.0 10 54
62 A 62 SER S E E AE - 67 0 -159.0 144.3 179.9 -167.8 15.9 165.3 0 0.0 0 0.0 0 0.0 0 0.0 13 49
63 A 63 ASP D e - 0 0 -113.4 -149.9 -179.0 -51.9 56.0 99.5 66 -1.6 0 0.0 0 0.0 0 0.0 13 41
64 A 64 GLU E S S S+ 0 0 -57.1 -44.3 -177.2 5.3 133.2 25.6 0 0.0 0 0.0 0 0.0 0 0.0 9 34
65 A 65 ARG R S e S+ 0 0 -119.4 -15.8 -177.7 56.9 118.7 51.7 0 0.0 31 -2.8 0 0.0 0 0.0 7 33
66 A 66 PHE F E E AB - 30 0 -124.1 165.9 174.6 -142.3 54.4 141.6 0 0.0 63 -1.6 0 0.0 0 0.0 11 43
67 A 67 ASP D E E ABE - 29 62 -113.8 143.7 179.3 -147.2 25.4 155.7 29 -2.5 29 -1.6 0 0.0 69 -0.5 15 51
68 A 68 TYR Y E E ABE - 28 61 -120.9 123.4 179.5 -164.4 9.6 166.2 61 -3.4 60 -1.9 0 0.0 61 -1.3 12 59
69 A 69 PHE F E E ABE - 27 59 -106.6 140.2 -178.2 -168.1 7.4 149.9 27 -3.3 27 -2.4 67 -0.5 0 0.0 13 58
70 A 70 GLU E E E ABE + 26 58 -132.8 137.9 179.6 173.2 8.4 171.1 58 -2.9 58 -1.1 0 0.0 0 0.0 12 59
71 A 71 ALA A E E AB - 25 0 -139.8 158.2 178.6 -135.5 24.0 161.7 25 -2.5 25 -2.3 0 0.0 0 0.0 12 50
72 A 72 LEU L E E AB - 24 0 -117.9 124.3 -179.3 -153.8 18.4 166.0 0 0.0 0 0.0 0 0.0 0 0.0 10 50
73 A 73 LEU L E E AB - 23 0 -102.6 127.2 179.3 -145.2 7.4 149.3 23 -2.8 23 -2.3 0 0.0 75 -0.9 10 52
74 A 74 GLU E E E AB + 22 0 -91.0 106.0 -178.1 172.5 25.5 143.0 0 0.0 76 -0.6 0 0.0 0 0.0 7 40
75 A 75 CYS C e > T + 0 0 -119.9 84.4 -179.6 173.7 12.3 139.0 21 -2.9 78 -1.7 73 -0.9 0 0.0 12 42
76 A 76 SER S T T 3 TS+ 0 0 -60.4 -26.4 179.3 53.6 84.8 40.4 74 -0.6 0 0.0 0 0.0 0 0.0 7 31
77 A 77 THR T T T 3 TS- 0 0 -84.3 -9.1 -179.8 -128.8 107.2 54.6 0 0.0 0 0.0 0 0.0 0 0.0 7 30
78 A 78 LYS K S t < TS+ 0 0 70.0 15.5 179.5 93.9 82.4 49.4 75 -1.7 116 -2.2 0 0.0 0 0.0 12 36
79 A 79 ARG R + 0 0 -137.7 131.9 -178.6 177.6 54.0 176.6 0 0.0 0 0.0 0 0.0 0 0.0 12 44
80 A 80 VAL V E E B F - 0 113 -146.7 144.4 176.5 -171.0 22.4 174.8 113 -1.6 113 -2.4 0 0.0 0 0.0 14 53
81 A 81 LYS K E E BCF + 42 112 -122.9 142.9 -177.9 169.9 27.3 163.0 42 -2.9 42 -2.2 0 0.0 0 0.0 13 58
82 A 82 TYR Y E E BCF - 41 111 -157.5 158.2 179.8 -159.1 24.5 176.4 111 -2.2 111 -3.2 0 0.0 0 0.0 12 67
83 A 83 VAL V E E BC - 40 0 -137.4 147.8 179.9 -123.4 24.1 166.6 40 -2.5 40 -2.8 0 0.0 0 0.0 16 63
84 A 84 PHE F E E BCG - 39 96 -96.0 142.1 177.0 -154.2 9.7 138.6 96 -2.8 96 -2.6 0 0.0 86 -0.6 11 66
85 A 85 LEU L E E BCG - 38 95 -113.3 111.2 -177.4 -167.5 21.8 164.2 38 -3.2 38 -2.4 0 0.0 0 0.0 12 58
86 A 86 LEU L E E BCG - 37 94 -109.1 133.8 -180.0 -165.8 8.3 150.4 94 -3.2 94 -1.9 84 -0.6 0 0.0 13 57
87 A 87 THR T E E BCG - 36 93 -121.1 133.4 -179.7 -150.2 8.0 162.6 36 -2.8 35 -2.9 0 0.0 36 -1.8 12 43
88 A 88 GLY G e > T - 0 0 -92.3 176.8 -179.8 -91.2 36.6 108.7 92 -2.9 91 -1.9 0 0.0 0 0.0 12 34
89 A 89 PRO P T T 3 TS+ 0 0 -56.6 -31.1 -179.2 48.5 125.9 39.5 0 0.0 0 0.0 0 0.0 0 0.0 9 22
90 A 90 GLN Q T T 3 TS- 0 0 -98.6 18.2 179.1 -100.0 123.9 81.2 0 0.0 0 0.0 0 0.0 0 0.0 4 15
91 A 91 GLY G S t < TS+ 0 0 82.2 -3.1 179.9 147.7 72.3 65.9 88 -1.9 0 0.0 0 0.0 0 0.0 6 20
92 A 92 GLU E e - 0 0 -70.3 129.2 -178.9 -161.6 29.8 120.5 0 0.0 88 -2.9 0 0.0 0 0.0 8 26
93 A 93 ALA A E E BG + 87 0 -113.1 155.7 179.2 176.3 13.7 142.1 0 0.0 0 0.0 0 0.0 0 0.0 9 34
94 A 94 VAL V E E BG - 86 0 -156.2 145.1 177.9 -126.2 26.4 170.2 86 -1.9 86 -3.2 0 0.0 0 0.0 11 44
95 A 95 TYR Y E E BGH - 85 102 -95.1 139.8 -178.4 -160.2 21.6 141.8 102 -3.1 102 -1.8 0 0.0 0 0.0 14 47
96 A 96 PHE F E E BGH + 84 101 -125.3 114.9 -179.3 146.6 25.3 166.0 84 -2.6 84 -2.8 0 0.0 0 0.0 16 52
97 A 97 GLY G E E B H> T - 0 100 -136.2 179.7 -179.9 -81.7 64.6 140.1 100 -2.6 100 -0.7 0 0.0 0 0.0 13 48
98 A 98 GLU E T T 3 TS+ 0 0 -55.5 -31.0 -179.3 55.4 127.6 35.6 0 0.0 0 0.0 0 0.0 0 0.0 9 41
99 A 99 THR T T T 3 TS- 0 0 -72.4 -33.3 180.0 -106.7 118.5 32.8 108 -1.3 0 0.0 0 0.0 0 0.0 9 30
100 A 100 GLY G E E BH < T - 97 0 144.6 -147.9 180.0 -28.7 53.0 175.3 108 -1.5 97 -2.6 97 -0.7 0 0.0 9 33
101 A 101 PHE F E E BH + 96 0 -111.6 144.9 179.2 149.5 57.6 149.2 0 0.0 0 0.0 0 0.0 0 0.0 11 38
102 A 102 SER S E E BH - 95 0 -166.1 153.2 178.3 -128.4 51.9 165.1 95 -1.8 95 -3.1 0 0.0 0 0.0 10 30
103 A 103 ALA A S S S+ 0 0 -76.2 -21.0 178.6 73.5 101.7 44.5 0 0.0 105 -0.5 0 0.0 0 0.0 8 26
104 A 104 GLU E S h > TS- 0 0 -95.9 124.6 -179.5 -147.7 78.8 147.7 0 0.0 108 -0.7 0 0.0 0 0.0 8 24
105 A 105 ARG R H H > > TS+ 0 0 -55.6 -51.2 -179.2 56.2 95.2 21.7 103 -0.5 108 -1.7 0 0.0 109 -0.7 10 35
106 A 106 SER S H H 4 > TS+ 0 0 -51.6 -40.0 -178.4 51.0 105.9 32.6 0 0.0 109 -0.8 0 0.0 0 0.0 5 31
107 A 107 LYS K H H 4 3 TS+ 0 0 -77.5 -11.9 179.4 65.1 99.1 52.1 0 0.0 0 0.0 0 0.0 0 0.0 9 22
108 A 108 ALA A H H < < TS- 0 0 -81.7 -17.6 -179.4 -151.7 95.6 47.1 105 -1.7 100 -1.5 104 -0.7 99 -1.3 16 32
109 A 109 GLY G h < < T - 0 0 75.1 -168.7 -178.2 -82.6 17.7 103.7 106 -0.8 0 0.0 105 -0.7 0 0.0 12 35
110 A 110 VAL V - 0 0 -142.4 139.3 177.1 -132.3 22.6 175.5 0 0.0 0 0.0 0 0.0 0 0.0 11 48
111 A 111 PHE F E E BF - 82 0 -79.8 158.4 -179.1 -151.5 31.0 121.4 82 -3.2 82 -2.2 0 0.0 0 0.0 11 49
112 A 112 GLN Q E E BF - 81 0 -143.4 129.6 175.4 -168.4 28.3 167.3 0 0.0 114 -0.9 0 0.0 0 0.0 9 46
113 A 113 TYR Y E E BF - 80 0 -110.1 90.4 -177.0 -156.8 26.8 150.3 80 -2.4 80 -1.6 0 0.0 0 0.0 11 52
114 A 114 ALA A - 0 0 -34.4 -57.8 -178.1 -15.7 60.7 37.4 112 -0.9 0 0.0 0 0.0 0 0.0 8 39
115 A 115 TYR Y - 0 0 -158.7 143.1 179.3 -135.0 53.3 166.9 0 0.0 117 -0.8 0 0.0 0 0.0 7 36
116 A 116 ILE I - 0 0 -103.5 104.2 178.8 -164.9 24.4 150.4 78 -2.2 0 0.0 0 0.0 0 0.0 12 40
117 A 117 HIS H g > T - 0 0 -88.1 140.8 -178.8 -135.6 21.5 134.8 115 -0.8 120 -1.3 0 0.0 0 0.0 8 29
118 A 118 ARG R G G > TS+ 0 0 -62.9 -34.0 -179.4 59.4 105.0 32.0 0 0.0 121 -1.4 0 0.0 0 0.0 7 27
119 A 119 SER S G G 3 TS+ 0 0 -70.1 -14.0 -179.9 54.7 102.1 51.1 0 0.0 0 0.0 0 0.0 0 0.0 4 27
120 A 120 GLU E G G < TS+ 0 0 -103.8 11.0 176.8 113.7 76.3 74.6 117 -1.3 122 -0.7 0 0.0 0 0.0 8 41
121 A 121 VAL V S g < TS- 0 0 -82.8 119.1 -178.4 -114.0 80.0 139.1 118 -1.4 0 0.0 0 0.0 0 0.0 13 41
122 A 122 PHE F - 0 0 -58.3 115.8 -178.2 -177.0 44.3 110.4 120 -0.7 0 0.0 0 0.0 0 0.0 10 53
123 A 123 THR T - 0 0 -126.4 127.3 -179.4 -178.2 9.0 168.4 0 0.0 0 0.0 0 0.0 0 0.0 7 51
124 A 124 THR T - 0 0 -121.3 157.6 -179.7 -78.9 41.6 147.6 0 0.0 0 0.0 0 0.0 0 0.0 10 56
125 A 125 PRO P t > T - 0 0 -57.2 129.3 180.0 -138.1 33.5 106.9 0 0.0 129 -0.8 0 0.0 0 0.0 10 50
126 A 126 GLU E T g 4 > TS+ 0 0 -55.4 -42.9 -179.3 54.4 102.1 27.7 0 0.0 129 -1.0 0 0.0 0 0.0 7 36
127 A 127 TRP W G G 4 > TS+ 0 0 -62.5 -35.6 -179.5 58.0 101.3 31.3 0 0.0 130 -1.5 0 0.0 0 0.0 7 45
128 A 128 ALA A G G 4 > TS+ 0 0 -68.0 -17.7 -180.0 73.3 91.9 44.3 0 0.0 131 -0.8 0 0.0 0 0.0 10 60
129 A 129 LYS K G G < < TS+ 0 0 -69.9 -17.5 179.3 22.9 112.4 47.3 126 -1.0 0 0.0 125 -0.8 0 0.0 13 56
130 A 130 GLU E G G < TS+ 0 0 -139.8 35.4 -179.7 128.7 95.2 91.6 127 -1.5 0 0.0 0 0.0 0 0.0 11 55
131 A 131 ALA A g < T - 0 0 -93.0 160.3 175.5 -152.5 45.1 119.6 128 -0.8 0 0.0 0 0.0 0 0.0 11 67
132 A 132 VAL V e - 0 0 -129.0 113.1 -177.5 -155.0 24.8 169.4 0 0.0 188 -2.7 0 0.0 189 -1.1 13 68
133 A 133 ILE I E E Cij - 189 451 -100.3 143.5 -178.2 -154.1 7.6 137.9 450 -2.7 452 -3.3 0 0.0 0 0.0 13 74
134 A 134 TYR Y E E Cij - 190 452 -117.5 120.1 -179.6 -139.3 13.4 164.4 189 -2.4 191 -2.6 0 0.0 136 -0.6 13 66
135 A 135 GLN Q E E Cij - 191 453 -84.6 120.2 179.9 -161.4 16.8 134.1 452 -3.4 454 -1.9 0 0.0 137 -0.6 12 68
136 A 136 ILE I E E Ci - 192 0 -104.0 120.0 174.7 -163.7 14.0 152.2 191 -3.2 193 -1.2 134 -0.6 0 0.0 11 64
137 A 137 PHE F g > T - 0 0 -98.8 93.7 -178.8 -156.1 21.2 150.0 135 -0.6 140 -1.9 0 0.0 0 0.0 11 65
138 A 138 PRO P G G > > TS+ 0 0 -39.2 -51.1 -179.8 59.4 82.7 39.1 0 0.0 141 -1.0 0 0.0 142 -0.6 14 69
139 A 139 GLU E G G 4 3 TS+ 0 0 -57.1 -26.4 -178.2 30.8 119.2 39.5 0 0.0 170 -2.5 0 0.0 0 0.0 12 69
140 A 140 ARG R G G 4 < TS+ 0 0 -119.8 13.4 -179.2 76.1 100.8 71.8 137 -1.9 472 -2.6 0 0.0 0 0.0 14 70
141 A 141 PHE F T g 4 < TS- 0 0 -88.1 -57.9 179.2 -20.4 106.9 18.0 138 -1.0 0 0.0 0 0.0 0 0.0 14 66
142 A 142 ALA A t < T - 0 0 -156.6 134.2 179.5 -143.4 46.8 161.6 138 -0.6 171 -3.0 0 0.0 144 -1.1 16 51
143 A 143 ASN N + 0 0 -99.4 88.7 -179.2 158.2 33.2 139.7 0 0.0 0 0.0 0 0.0 0 0.0 15 43
144 A 144 GLY G + 0 0 -82.7 -22.2 -179.2 45.3 68.7 43.4 142 -1.1 0 0.0 0 0.0 0 0.0 12 41
145 A 145 ASP D g > T + 0 0 -127.9 96.3 179.8 179.2 57.0 147.9 0 0.0 148 -1.4 0 0.0 0 0.0 10 37
146 A 146 PRO P G G > TS+ 0 0 -62.9 -29.6 -178.6 71.5 77.9 38.3 0 0.0 149 -1.6 0 0.0 0 0.0 7 32
147 A 147 SER S G G 3 TS+ 0 0 -65.6 -13.2 179.9 49.8 96.9 51.5 0 0.0 0 0.0 0 0.0 0 0.0 4 28
148 A 148 ASN N G G < TS+ 0 0 -109.4 13.1 -179.7 132.4 79.5 75.5 145 -1.4 0 0.0 0 0.0 0 0.0 10 34
149 A 149 ASP D g < T - 0 0 -65.2 143.0 179.3 -111.1 62.7 108.6 146 -1.6 0 0.0 0 0.0 0 0.0 11 39
150 A 150 PRO P t > T - 0 0 -69.8 153.5 179.7 -86.4 48.0 113.9 0 0.0 153 -0.9 0 0.0 0 0.0 8 35
151 A 151 PRO P T T 3 TS+ 0 0 -59.8 145.0 179.4 28.0 114.8 107.8 0 0.0 0 0.0 0 0.0 0 0.0 4 23
152 A 152 GLY G T T 3 TS+ 0 0 76.9 22.9 179.2 173.6 79.8 42.6 0 0.0 0 0.0 0 0.0 0 0.0 5 22
153 A 153 THR T t < T - 0 0 -64.4 137.2 179.9 -133.9 24.0 113.9 150 -0.9 0 0.0 0 0.0 0 0.0 10 34
154 A 154 GLU E - 0 0 -93.5 160.9 -178.8 -79.7 30.6 123.3 167 -3.4 0 0.0 0 0.0 0 0.0 7 34
155 A 155 GLN Q - 0 0 -59.6 144.7 -179.0 -122.5 39.1 102.2 0 0.0 157 -1.1 0 0.0 0 0.0 6 32
156 A 156 TRP W + 0 0 -93.2 94.5 -179.7 135.8 56.8 138.4 0 0.0 0 0.0 0 0.0 0 0.0 7 37
157 A 157 ALA A t > T - 0 0 -141.7 157.1 -179.5 -118.9 63.9 165.7 155 -1.1 160 -1.6 0 0.0 0 0.0 7 34
158 A 158 LYS K T T 3 TS+ 0 0 -60.4 -36.4 -179.4 57.4 113.7 32.1 0 0.0 0 0.0 0 0.0 0 0.0 9 33
159 A 159 ASP D T T 3 TS+ 0 0 -76.1 0.7 -179.7 120.7 82.3 63.6 0 0.0 0 0.0 0 0.0 0 0.0 4 26
160 A 160 ALA A t < T - 0 0 -70.7 137.2 179.2 -164.3 46.5 115.8 157 -1.6 0 0.0 0 0.0 0 0.0 9 34
161 A 161 ARG R - 0 0 -126.9 94.5 -179.7 -131.9 22.2 149.5 0 0.0 0 0.0 0 0.0 0 0.0 6 32
162 A 162 PRO P - 0 0 -46.5 137.6 176.9 -151.3 13.5 90.8 0 0.0 0 0.0 0 0.0 0 0.0 9 42
163 A 163 ARG R t > T - 0 0 -109.2 156.3 -179.2 -100.2 35.3 142.2 0 0.0 166 -2.9 0 0.0 0 0.0 7 31
164 A 164 HIS H T T 3 TS+ 0 0 -45.7 -31.5 -178.9 37.4 125.2 41.0 0 0.0 0 0.0 0 0.0 0 0.0 5 30
165 A 165 ASP D T T 3 TS+ 0 0 -110.3 19.2 -179.6 130.2 91.3 81.8 0 0.0 0 0.0 0 0.0 0 0.0 5 30
166 A 166 SER S t < T - 0 0 -74.5 157.0 179.3 -161.4 38.0 108.6 163 -2.9 0 0.0 0 0.0 0 0.0 8 36
167 A 167 PHE F + 0 0 -137.7 138.9 178.7 169.7 20.0 174.1 0 0.0 154 -3.4 0 0.0 0 0.0 9 47
168 A 168 TYR Y - 0 0 -127.7 -6.3 178.2 -113.8 51.3 65.4 0 0.0 0 0.0 0 0.0 0 0.0 13 50
169 A 169 GLY G + 0 0 84.1 15.2 178.9 171.3 46.9 50.2 0 0.0 0 0.0 0 0.0 0 0.0 16 47
170 A 170 GLY G + 0 0 -57.4 142.6 -178.6 162.0 15.3 107.3 139 -2.5 0 0.0 0 0.0 0 0.0 14 60
171 A 171 ASP D h > T - 0 0 -154.3 177.9 -179.6 -92.6 53.5 156.4 142 -3.0 175 -1.4 0 0.0 0 0.0 17 59
172 A 172 LEU L H H > TS+ 0 0 -67.4 -36.1 178.9 59.9 118.6 32.1 216 -2.5 176 -2.4 0 0.0 0 0.0 15 58
173 A 173 LYS K H H > TS+ 0 0 -59.5 -37.9 179.0 53.0 104.3 26.3 216 -0.6 177 -2.4 0 0.0 0 0.0 14 48
174 A 174 GLY G H H > TS+ 0 0 -63.2 -43.5 179.5 50.5 106.6 23.4 0 0.0 178 -1.6 0 0.0 0 0.0 13 49
175 A 175 VAL V H H < TS+ 0 0 -61.6 -39.2 179.3 51.9 110.0 25.7 171 -1.4 0 0.0 0 0.0 0 0.0 14 61
176 A 176 ILE I H H < > TS+ 0 0 -61.3 -50.2 180.0 49.0 108.6 17.7 172 -2.4 179 -1.7 0 0.0 0 0.0 11 49
177 A 177 ASP D H H < 3 TS+ 0 0 -59.6 -27.3 -178.2 48.5 114.3 38.8 173 -2.4 0 0.0 0 0.0 0 0.0 8 37
178 A 178 ARG R T h X > TS+ 0 0 -97.5 5.9 178.9 102.1 76.7 69.6 174 -1.6 182 -1.9 0 0.0 181 -0.7 9 48
179 A 179 LEU L H H > < TS+ 0 0 -57.8 -34.2 179.8 60.9 76.9 31.6 176 -1.7 183 -2.8 0 0.0 0 0.0 11 47
180 A 180 PRO P H H > 3 TS+ 0 0 -60.0 -36.2 179.8 49.1 105.3 24.0 0 0.0 184 -2.4 0 0.0 0 0.0 7 34
181 A 181 TYR Y H H > < TS+ 0 0 -66.2 -47.0 -179.6 46.9 111.6 21.4 178 -0.7 185 -2.2 0 0.0 0 0.0 7 47
182 A 182 LEU L H H X >TS+ 0 0 -63.9 -38.1 179.8 51.3 112.3 27.7 178 -1.9 186 -1.9 0 0.0 187 -1.3 9 58
183 A 183 GLU E H H < 5TS+ 0 0 -65.0 -44.6 179.5 50.4 108.7 21.2 179 -2.8 0 0.0 0 0.0 0 0.0 12 43
184 A 184 GLU E H H < 5TS+ 0 0 -59.1 -41.1 179.8 53.3 108.5 25.5 180 -2.4 0 0.0 0 0.0 0 0.0 7 36
185 A 185 LEU L H H < 5TS- 0 0 -60.7 -39.3 179.3 -126.6 112.4 26.7 181 -2.2 0 0.0 0 0.0 0 0.0 10 52
186 A 186 GLY G T h < 5T + 0 0 105.5 7.9 180.0 158.4 48.6 58.9 182 -1.9 0 0.0 0 0.0 0 0.0 10 48
187 A 187 VAL V t T - 197 0 -139.5 106.3 180.0 -171.2 56.5 153.2 197 -1.9 211 -1.3 0 0.0 197 -0.7 11 48
209 A 209 TYR Y E E D* 3 TS+ 0 0 -69.2 -14.4 -178.2 59.3 87.8 51.2 0 0.0 0 0.0 0 0.0 0 0.0 9 56
210 A 210 LEU L E E D* 3 TS+ 0 0 -100.4 13.4 179.7 64.7 99.8 75.3 0 0.0 0 0.0 0 0.0 0 0.0 9 46
211 A 211 ALA A E E D* < TS- 0 0 -141.1 146.4 177.4 -123.4 75.3 173.1 208 -1.3 197 -2.5 0 0.0 0 0.0 9 46
212 A 212 ILE I E E DL - 196 0 -77.6 141.2 179.2 -97.5 49.9 126.6 0 0.0 0 0.0 0 0.0 0 0.0 13 53
213 A 213 ASP D e > > T - 0 0 -63.5 129.5 -179.6 -124.7 32.4 117.8 195 -3.0 216 -2.8 0 0.0 217 -1.7 11 48
214 A 214 PRO P T T 4 3 TS+ 0 0 -44.5 -34.9 -179.5 59.6 108.8 40.5 0 0.0 0 0.0 0 0.0 0 0.0 8 44
215 A 215 GLN Q T T 4 3 TS+ 0 0 -72.3 -17.8 179.6 39.5 112.2 44.7 0 0.0 0 0.0 0 0.0 0 0.0 9 50
216 A 216 PHE F T T 4 < TS- 0 0 -100.1 -28.7 179.9 -94.0 121.4 43.7 213 -2.8 172 -2.5 0 0.0 173 -0.6 15 57
217 A 217 GLY G t < T - 0 0 153.7 -147.9 179.7 -88.7 37.6 175.9 213 -1.7 0 0.0 0 0.0 0 0.0 13 46
218 A 218 ASP D h > T - 0 0 -153.8 177.6 -179.2 -78.7 46.4 153.9 0 0.0 222 -2.7 0 0.0 0 0.0 10 39
219 A 219 LEU L H H > TS+ 0 0 -54.0 -47.9 180.0 50.5 124.5 26.0 0 0.0 223 -2.8 0 0.0 0 0.0 8 35
220 A 220 PRO P H H > TS+ 0 0 -59.9 -40.3 179.6 45.9 113.9 23.5 0 0.0 224 -2.0 0 0.0 0 0.0 6 30
221 A 221 THR T H H > TS+ 0 0 -68.0 -40.2 179.2 50.5 112.4 25.9 0 0.0 225 -2.3 0 0.0 0 0.0 10 40
222 A 222 PHE F H H X TS+ 0 0 -64.0 -41.4 179.0 51.5 109.2 25.2 218 -2.7 226 -2.5 0 0.0 0 0.0 11 53
223 A 223 ARG R H H X TS+ 0 0 -59.6 -44.8 179.9 50.3 109.9 22.3 219 -2.8 227 -2.6 0 0.0 0 0.0 10 38
224 A 224 ARG R H H X TS+ 0 0 -60.3 -43.2 179.5 51.2 109.0 25.8 220 -2.0 228 -3.0 0 0.0 0 0.0 8 35
225 A 225 LEU L H H X TS+ 0 0 -61.1 -44.6 179.6 49.9 109.8 22.9 221 -2.3 229 -2.6 0 0.0 0 0.0 12 51
226 A 226 VAL V H H X TS+ 0 0 -59.5 -48.2 180.0 43.7 115.0 19.6 222 -2.5 230 -2.5 0 0.0 0 0.0 13 50
227 A 227 ASP D H H X TS+ 0 0 -64.3 -44.7 -179.5 47.4 115.2 25.0 223 -2.6 231 -2.1 0 0.0 0 0.0 8 37
228 A 228 GLU E H H X TS+ 0 0 -66.7 -36.6 179.2 47.5 113.9 30.6 224 -3.0 232 -0.5 0 0.0 0 0.0 10 36
229 A 229 ALA A H H < >>TS+ 0 0 -68.8 -46.7 -179.6 53.6 110.2 19.1 225 -2.6 234 -2.8 0 0.0 232 -1.2 13 46
230 A 230 HIS H H H < >5TS+ 0 0 -55.5 -45.8 -179.3 52.6 104.4 26.6 226 -2.5 233 -2.2 0 0.0 0 0.0 9 39
231 A 231 ARG R H H < 35TS+ 0 0 -67.2 -14.2 178.8 52.5 109.0 46.7 227 -2.1 0 0.0 0 0.0 0 0.0 7 30
232 A 232 ARG R T h < <5TS- 0 0 -102.4 15.6 -179.8 -105.6 125.3 80.8 229 -1.2 0 0.0 228 -0.5 0 0.0 8 31
233 A 233 GLY G T T <5TS+ 0 0 65.5 31.9 -179.0 135.0 78.7 37.9 230 -2.2 235 -0.5 0 0.0 0 0.0 9 36
234 A 234 ILE I t T - 0 0 -91.3 160.6 -179.8 -111.2 34.3 125.9 206 -2.7 249 -2.0 0 0.0 0 0.0 14 56
247 A 247 ASP D T T 3 TS+ 0 0 -70.5 1.5 179.0 61.2 118.8 61.7 292 -1.2 0 0.0 0 0.0 0 0.0 13 56
248 A 248 GLN Q T T 3 TS+ 0 0 -103.2 -4.2 178.8 125.1 72.5 66.0 0 0.0 0 0.0 0 0.0 0 0.0 12 42
249 A 249 PHE F S h > X TS- 0 0 -56.1 130.9 -177.9 -121.6 73.3 111.6 246 -2.0 253 -2.5 0 0.0 252 -0.7 11 50
250 A 250 PHE F H H > 3 TS+ 0 0 -45.3 -46.1 -179.6 52.9 111.8 29.0 207 -0.7 254 -2.1 0 0.0 0 0.0 8 42
251 A 251 ALA A H H > 3 TS+ 0 0 -59.4 -41.8 -179.2 45.0 111.8 26.7 0 0.0 255 -1.4 0 0.0 0 0.0 8 49
252 A 252 PHE F H H > < TS+ 0 0 -71.8 -41.9 179.3 52.8 109.6 24.4 249 -0.7 256 -2.1 0 0.0 0 0.0 13 52
253 A 253 ARG R H H X TS+ 0 0 -60.0 -36.8 179.6 55.3 107.3 26.2 249 -2.5 257 -1.7 0 0.0 0 0.0 10 42
254 A 254 ASP D H H X TS+ 0 0 -61.4 -42.0 179.7 48.3 107.6 24.1 250 -2.1 258 -2.6 0 0.0 0 0.0 11 31
255 A 255 VAL V H H X TS+ 0 0 -66.6 -34.7 179.6 53.1 109.1 31.7 251 -1.4 259 -2.0 0 0.0 0 0.0 15 42
256 A 256 LEU L H H < TS+ 0 0 -68.6 -29.7 -178.5 41.6 115.9 34.7 252 -2.1 0 0.0 0 0.0 0 0.0 10 40
257 A 257 GLN Q H H < TS+ 0 0 -88.5 -32.9 -178.7 24.4 128.9 36.9 253 -1.7 0 0.0 0 0.0 0 0.0 7 22
258 A 258 LYS K H H < > TS- 0 0 -112.7 -4.2 -179.6 -167.1 82.9 60.7 254 -2.6 261 -2.3 0 0.0 0 0.0 8 24
259 A 259 GLY G G h < > TS- 0 0 54.6 -133.5 -179.8 -0.2 76.4 104.9 255 -2.0 262 -2.2 0 0.0 0 0.0 12 30
260 A 260 GLU E G G 3 TS+ 0 0 -64.9 -3.2 179.1 68.8 129.2 59.5 0 0.0 0 0.0 0 0.0 0 0.0 7 27
261 A 261 GLN Q G G < TS+ 0 0 -92.8 -4.6 -179.8 112.9 75.5 60.9 258 -2.3 0 0.0 0 0.0 0 0.0 7 22
262 A 262 SER S g X T - 0 0 -71.5 141.2 178.9 -143.4 66.1 115.6 259 -2.2 265 -0.8 0 0.0 0 0.0 10 26
263 A 263 ARG R T T 3 TS+ 0 0 -78.4 -4.7 -178.5 49.9 104.0 58.4 0 0.0 0 0.0 0 0.0 0 0.0 6 27
264 A 264 TYR Y T g > T + 0 0 -116.0 5.7 -179.7 108.7 69.5 72.0 0 0.0 267 -2.6 0 0.0 0 0.0 10 40
265 A 265 LYS K G G X TS+ 0 0 -52.7 -32.3 -179.3 55.4 81.4 33.7 262 -0.8 268 -1.0 0 0.0 0 0.0 13 42
266 A 266 ASP D G G 3 TS+ 0 0 -85.4 9.2 178.1 78.5 86.0 71.8 0 0.0 0 0.0 0 0.0 0 0.0 9 41
267 A 267 TRP W G G < TS+ 0 0 -89.8 -3.8 -178.7 38.7 103.3 63.0 264 -2.6 297 -2.6 0 0.0 0 0.0 12 48
268 A 268 PHE F B B C < TS- 296 0 -133.8 -177.9 179.3 -103.8 90.4 136.0 265 -1.0 270 -0.7 0 0.0 0 0.0 12 58
269 A 269 PHE F + 0 0 -116.5 93.8 -179.4 170.0 46.5 149.9 295 -0.6 284 -2.8 0 0.0 0 0.0 12 48
270 A 270 ILE I B B D - 283 0 -109.6 135.5 -179.8 -166.9 23.9 152.2 268 -0.7 0 0.0 0 0.0 0 0.0 11 45
271 A 271 GLU E S S S- 0 0 -85.6 -43.5 -179.7 -17.8 70.2 26.9 282 -3.3 0 0.0 0 0.0 0 0.0 6 28
272 A 272 ASP D S S S- 0 0 -164.9 147.3 -179.7 -74.3 79.0 164.8 282 -0.8 0 0.0 0 0.0 0 0.0 7 24
273 A 273 PHE F S S S+ 0 0 -93.3 154.1 -0.2 55.5 93.4 127.3 0 0.0 0 0.0 0 0.0 0 0.0 8 28
274 A 274 PRO P S S S- 0 0 -68.1 157.6 -177.4 -141.0 82.5 57.1 0 0.0 276 -0.9 0 0.0 0 0.0 7 28
275 A 275 VAL V + 0 0 -100.4 83.4 174.2 48.1 50.0 132.3 0 0.0 0 0.0 0 0.0 0 0.0 12 42
276 A 276 SER S + 0 0 173.7 172.8 173.7 154.3 30.6 163.0 274 -0.9 0 0.0 0 0.0 0 0.0 10 37
277 A 277 LYS K - 0 0 161.8 161.9 176.3 -80.0 50.5 139.5 0 0.0 279 -0.7 0 0.0 0 0.0 7 24
278 A 278 THR T S S S- 0 0 -81.6 113.4 177.8 -15.9 112.4 137.5 0 0.0 0 0.0 0 0.0 0 0.0 6 19
279 A 279 SER S S S S+ 0 0 74.6 -1.9 -179.3 80.5 131.2 62.5 277 -0.7 0 0.0 0 0.0 0 0.0 7 20
280 A 280 ARG R + 0 0 -135.4 145.3 -176.5 173.1 58.6 167.6 0 0.0 0 0.0 0 0.0 0 0.0 8 25
281 A 281 THR T - 0 0 -163.9 138.5 -179.4 -145.0 37.2 165.5 0 0.0 0 0.0 0 0.0 0 0.0 11 33
282 A 282 ASN N S S S+ 0 0 -90.9 27.0 178.7 69.7 84.6 92.3 0 0.0 271 -3.3 0 0.0 272 -0.8 11 35
283 A 283 TYR Y B B D S- 270 0 -145.0 149.3 -178.8 -100.1 89.2 172.5 0 0.0 0 0.0 0 0.0 0 0.0 12 44
284 A 284 GLU E + 0 0 -72.0 138.8 -178.7 179.1 45.4 117.5 269 -2.8 295 -2.5 0 0.0 0 0.0 11 42
285 A 285 THR T B B E - 294 0 -132.0 175.1 176.8 -70.4 39.6 140.8 0 0.0 0 0.0 0 0.0 0 0.0 12 44
286 A 286 PHE F S S S- 0 0 -63.1 142.4 179.3 -22.3 105.5 115.4 293 -2.2 0 0.0 0 0.0 0 0.0 11 39
287 A 287 ALA A S S S- 0 0 54.8 -133.5 -179.3 -25.9 121.5 102.8 0 0.0 0 0.0 0 0.0 0 0.0 5 31
288 A 288 VAL V S S S- 0 0 -123.3 120.5 178.1 -20.9 118.6 162.7 0 0.0 0 0.0 0 0.0 0 0.0 5 23
289 A 289 GLN Q S S S+ 0 0 55.4 48.5 177.6 153.5 74.8 25.7 0 0.0 0 0.0 0 0.0 0 0.0 10 27
290 A 290 VAL V t > T - 0 0 -109.3 87.4 -179.4 -174.0 21.0 143.0 0 0.0 293 -2.2 0 0.0 0 0.0 10 36
291 A 291 PRO P T T 3 TS+ 0 0 -47.9 -40.2 -178.7 57.4 79.5 39.9 0 0.0 0 0.0 0 0.0 0 0.0 13 42
292 A 292 ALA A T T 3 TS+ 0 0 -78.3 2.7 -178.7 59.2 103.3 64.0 0 0.0 247 -1.2 0 0.0 0 0.0 8 50
293 A 293 MET M t < T - 0 0 -133.1 65.8 180.0 -176.6 68.1 116.8 290 -2.2 286 -2.2 0 0.0 0 0.0 12 58
294 A 294 PRO P B B E - 285 0 -64.6 129.0 179.6 -114.8 32.4 113.7 0 0.0 245 -2.3 0 0.0 0 0.0 17 59
295 A 295 LYS K B B B - 244 0 -64.7 140.6 179.1 -129.3 27.2 111.2 284 -2.5 269 -0.6 0 0.0 0 0.0 12 58
296 A 296 LEU L B B C - 268 0 -93.3 141.6 179.0 -128.6 9.9 136.0 243 -2.6 298 -1.6 0 0.0 0 0.0 12 59
297 A 297 ARG R t > T + 0 0 -88.7 79.8 -179.4 173.3 32.9 128.1 267 -2.6 300 -2.2 0 0.0 0 0.0 10 48
298 A 298 THR T T T 3 TS+ 0 0 -62.6 -14.9 178.5 70.1 72.5 49.9 296 -1.6 0 0.0 0 0.0 0 0.0 13 48
299 A 299 GLU E T T 3 TS+ 0 0 -74.8 -17.1 179.7 96.7 78.8 46.4 0 0.0 0 0.0 0 0.0 0 0.0 8 34
300 A 300 ASN N S h > < TS- 0 0 -75.5 125.1 -179.8 -139.8 77.7 127.9 297 -2.2 304 -2.8 0 0.0 0 0.0 9 33
301 A 301 PRO P H H > TS+ 0 0 -53.3 -34.8 -179.8 51.2 102.9 35.0 0 0.0 305 -2.4 0 0.0 0 0.0 7 29
302 A 302 GLU E H H > TS+ 0 0 -71.7 -43.7 178.6 46.2 110.7 25.4 0 0.0 306 -2.2 0 0.0 0 0.0 7 26
303 A 303 VAL V H H > TS+ 0 0 -62.4 -50.1 -179.7 48.1 115.0 16.5 0 0.0 307 -2.7 0 0.0 0 0.0 12 41
304 A 304 LYS K H H X TS+ 0 0 -55.8 -50.5 -179.8 48.9 111.6 21.5 300 -2.8 308 -2.5 0 0.0 0 0.0 11 44
305 A 305 GLU E H H X TS+ 0 0 -58.8 -41.0 179.5 51.0 111.3 25.7 301 -2.4 309 -2.1 0 0.0 0 0.0 8 36
306 A 306 TYR Y H H X TS+ 0 0 -62.7 -46.8 -180.0 46.1 111.4 20.9 302 -2.2 310 -1.8 0 0.0 0 0.0 8 41
307 A 307 LEU L H H X TS+ 0 0 -65.1 -33.8 178.7 54.5 110.5 30.7 303 -2.7 311 -2.4 0 0.0 0 0.0 9 56
308 A 308 PHE F H H X TS+ 0 0 -65.8 -38.3 178.7 51.8 106.1 26.4 304 -2.5 312 -2.5 0 0.0 0 0.0 10 45
309 A 309 ASP D H H X TS+ 0 0 -64.7 -36.1 178.2 52.5 108.0 29.5 305 -2.1 313 -2.5 0 0.0 0 0.0 8 32
310 A 310 VAL V H H X TS+ 0 0 -63.1 -46.4 179.9 48.6 109.7 19.1 306 -1.8 314 -2.0 0 0.0 0 0.0 10 49
311 A 311 ALA A H H X TS+ 0 0 -60.1 -41.8 179.5 50.2 111.0 27.3 307 -2.4 315 -2.0 0 0.0 0 0.0 9 53
312 A 312 ARG R H H X TS+ 0 0 -61.4 -48.2 -179.2 55.5 107.4 19.1 308 -2.5 316 -2.2 0 0.0 0 0.0 10 39
313 A 313 PHE F H H X TS+ 0 0 -53.0 -46.8 -179.4 41.8 111.0 28.1 309 -2.5 317 -0.7 0 0.0 0 0.0 9 39
314 A 314 TRP W H H < >TS+ 0 0 -74.0 -33.8 178.8 52.4 113.1 29.4 310 -2.0 319 -1.3 0 0.0 0 0.0 10 54
315 A 315 MET M H H < >5TS+ 0 0 -70.5 -27.3 177.3 58.3 103.4 35.7 311 -2.0 318 -1.4 0 0.0 0 0.0 10 46
316 A 316 GLU E H H < 35TS+ 0 0 -69.6 -23.8 178.1 60.7 98.9 38.9 312 -2.2 0 0.0 0 0.0 0 0.0 7 35
317 A 317 GLN Q T h < 35TS- 0 0 -77.8 -6.3 178.3 -106.0 126.6 59.0 313 -0.7 0 0.0 0 0.0 0 0.0 8 39
318 A 318 GLY G T T <5T + 0 0 95.3 13.7 179.9 160.2 60.6 52.0 315 -1.4 0 0.0 0 0.0 0 0.0 8 42
319 A 319 ILE I t TS+ 0 0 51.0 41.7 -178.3 161.4 82.2 28.2 0 0.0 329 -1.5 0 0.0 0 0.0 11 47
327 A 327 ALA A G G > T + 0 0 -64.4 -29.2 -179.5 69.7 59.2 38.9 0 0.0 330 -1.7 0 0.0 0 0.0 11 54
328 A 328 ASN N G G 3 TS+ 0 0 -68.7 -4.2 179.6 58.6 94.4 55.5 0 0.0 0 0.0 0 0.0 0 0.0 7 44
329 A 329 GLU E G G < TS+ 0 0 -106.4 4.8 175.2 75.9 91.1 67.8 326 -1.5 0 0.0 0 0.0 0 0.0 6 44
330 A 330 VAL V S g < TS- 0 0 -109.6 147.2 -176.4 -93.2 95.8 150.6 327 -1.7 0 0.0 0 0.0 0 0.0 11 50
331 A 331 ASP D h > T - 0 0 -63.9 157.0 -178.7 -120.8 23.0 97.5 0 0.0 335 -1.4 0 0.0 0 0.0 9 38
332 A 332 HIS H H H > TS+ 0 0 -64.1 -40.7 -180.0 59.1 108.6 31.5 0 0.0 336 -2.8 0 0.0 0 0.0 8 36
333 A 333 ALA A H H > TS+ 0 0 -57.7 -39.0 179.1 53.6 104.1 28.5 0 0.0 337 -2.5 0 0.0 0 0.0 6 35
334 A 334 PHE F H H > TS+ 0 0 -60.6 -47.3 -179.9 44.9 111.7 20.3 0 0.0 338 -2.8 0 0.0 0 0.0 11 47
335 A 335 TRP W H H X TS+ 0 0 -67.7 -35.7 178.7 51.5 111.8 30.8 331 -1.4 339 -2.3 0 0.0 0 0.0 11 57
336 A 336 ARG R H H X TS+ 0 0 -67.5 -39.4 179.4 39.6 117.5 25.2 332 -2.8 340 -1.7 0 0.0 0 0.0 10 44
337 A 337 GLU E H H X TS+ 0 0 -76.9 -32.5 178.8 58.4 111.2 34.2 333 -2.5 341 -2.6 0 0.0 0 0.0 8 38
338 A 338 PHE F H H X TS+ 0 0 -60.1 -48.3 -179.6 46.8 108.0 18.2 334 -2.8 342 -3.3 0 0.0 0 0.0 10 56
339 A 339 ARG R H H X TS+ 0 0 -59.1 -48.2 179.4 52.2 110.0 22.3 335 -2.3 343 -3.3 0 0.0 0 0.0 12 55
340 A 340 ARG R H H X TS+ 0 0 -54.6 -46.0 179.6 43.4 115.0 22.2 336 -1.7 344 -1.5 0 0.0 0 0.0 8 41
341 A 341 LEU L H H X TS+ 0 0 -62.6 -60.3 -179.4 46.0 116.0 10.4 337 -2.6 345 -2.2 0 0.0 0 0.0 9 37
342 A 342 VAL V H H X TS+ 0 0 -49.9 -51.7 -179.1 45.0 115.6 26.0 338 -3.3 346 -2.5 0 0.0 0 0.0 12 50
343 A 343 LYS K H H < TS+ 0 0 -68.3 -26.7 179.6 55.8 109.8 39.0 339 -3.3 0 0.0 0 0.0 0 0.0 10 41
344 A 344 SER S H H < TS+ 0 0 -71.4 -38.7 179.3 41.3 113.6 24.8 340 -1.5 0 0.0 0 0.0 0 0.0 7 32
345 A 345 LEU L H H < TS+ 0 0 -73.4 -39.3 -179.9 3.5 139.8 29.5 341 -2.2 0 0.0 0 0.0 0 0.0 8 30
346 A 346 ASN N h < > T - 0 0 -153.2 105.3 -179.9 -161.6 58.3 144.4 342 -2.5 349 -1.9 0 0.0 0 0.0 7 36
347 A 347 PRO P T T 3 TS+ 0 0 -59.2 -21.2 -178.5 52.9 95.6 44.0 0 0.0 0 0.0 0 0.0 0 0.0 8 35
348 A 348 ASP D T T 3 TS+ 0 0 -100.6 9.7 178.4 118.3 77.6 72.5 0 0.0 0 0.0 0 0.0 0 0.0 11 41
349 A 349 ALA A t < T - 0 0 -77.1 134.4 -179.1 -135.5 60.0 128.3 346 -1.9 0 0.0 0 0.0 0 0.0 12 55
350 A 350 LEU L E E Cn - 321 0 -93.7 143.5 178.8 -158.1 11.9 132.6 320 -2.1 322 -3.3 0 0.0 352 -0.5 12 70
351 A 351 ILE I E E Cn + 322 0 -124.1 107.3 -178.9 178.0 16.1 159.3 0 0.0 369 -2.9 0 0.0 370 -1.5 12 78
352 A 352 VAL V E E Cno - 323 370 -114.7 131.7 -179.8 -159.2 9.3 157.8 322 -3.2 324 -3.6 350 -0.5 0 0.0 13 73
353 A 353 GLY G E E C o - 0 371 -105.3 165.5 178.7 -140.5 13.8 128.4 370 -3.0 372 -1.3 0 0.0 0 0.0 13 62
354 A 354 GLU E + 0 0 -127.4 97.0 -179.2 156.7 35.0 151.9 0 0.0 0 0.0 0 0.0 0 0.0 12 58
355 A 355 ILE I - 0 0 -124.2 126.5 -179.2 -153.1 33.4 172.6 0 0.0 0 0.0 0 0.0 0 0.0 11 46
356 A 356 TRP W S S S+ 0 0 -93.1 39.9 177.9 39.3 77.9 99.4 0 0.0 0 0.0 0 0.0 0 0.0 6 34
357 A 357 HIS H S S S- 0 0 -167.2 176.6 -178.1 -34.2 114.5 160.0 0 0.0 0 0.0 0 0.0 0 0.0 4 29
358 A 358 ASP D - 0 0 -47.9 115.8 -178.2 -172.7 52.1 102.7 0 0.0 0 0.0 0 0.0 0 0.0 7 36
359 A 359 ALA A g > > T + 0 0 -101.0 18.9 -179.2 119.5 45.3 81.0 0 0.0 362 -2.1 0 0.0 363 -0.6 9 50
360 A 360 SER S G G 4 > T + 0 0 -53.1 -35.3 179.5 64.6 68.1 34.5 0 0.0 363 -1.1 0 0.0 0 0.0 10 49
361 A 361 GLY G G G 4 3 TS+ 0 0 -61.2 -23.3 -179.5 38.5 109.8 40.7 0 0.0 0 0.0 0 0.0 0 0.0 6 40
362 A 362 TRP W G G 4 < TS+ 0 0 -105.3 -1.1 -177.7 63.8 109.7 64.9 359 -2.1 368 -2.2 0 0.0 0 0.0 10 57
363 A 363 LEU L g < < T + 0 0 -119.4 42.1 179.3 102.2 62.6 100.7 360 -1.1 0 0.0 359 -0.6 0 0.0 14 59
364 A 364 MET M S S S- 0 0 -95.0 -14.5 179.9 -94.8 102.3 55.9 0 0.0 0 0.0 0 0.0 0 0.0 12 52
365 A 365 GLY G S S S+ 0 0 119.9 -12.3 -179.3 83.6 110.8 77.3 0 0.0 0 0.0 0 0.0 0 0.0 11 56
366 A 366 ASP D S S S+ 0 0 -101.5 -1.6 179.4 21.2 100.5 63.5 0 0.0 0 0.0 0 0.0 0 0.0 10 49
367 A 367 GLN Q S S S+ 0 0 -125.6 -90.5 179.8 13.5 114.8 62.2 0 0.0 0 0.0 0 0.0 0 0.0 12 55
368 A 368 PHE F - 0 0 -93.6 160.7 177.0 -145.5 48.2 124.3 362 -2.2 0 0.0 0 0.0 0 0.0 13 66
369 A 369 ASP D S S S- 0 0 -89.7 -32.0 -179.3 -28.4 79.3 38.3 351 -2.9 0 0.0 0 0.0 0 0.0 14 64
370 A 370 SER S E E Co - 352 0 -166.4 179.6 177.5 -136.3 55.0 162.0 351 -1.5 353 -3.0 0 0.0 0 0.0 13 71
371 A 371 VAL V E E Co - 353 0 -141.3 175.6 178.6 -72.7 44.3 150.1 0 0.0 414 -2.0 0 0.0 0 0.0 12 64
372 A 372 MET M B e f - 414 0 -73.1 128.9 -179.7 -132.5 43.6 126.4 353 -1.3 374 -1.8 0 0.0 0 0.0 12 66
373 A 373 ASN N h > > T + 0 0 -85.4 74.2 -179.7 160.9 40.6 119.9 414 -3.2 377 -1.7 0 0.0 376 -0.5 10 58
374 A 374 TYR Y H H > 3 TS+ 0 0 -63.0 -24.9 179.3 62.4 73.7 39.4 372 -1.8 378 -2.3 0 0.0 0 0.0 9 47
375 A 375 LEU L H H > 3 TS+ 0 0 -65.8 -42.3 178.5 50.8 101.4 25.5 0 0.0 379 -2.4 0 0.0 0 0.0 8 53
376 A 376 PHE F H H > < TS+ 0 0 -61.1 -45.3 -179.4 50.0 109.9 21.6 373 -0.5 380 -2.2 0 0.0 0 0.0 12 60
377 A 377 ARG R H H X TS+ 0 0 -61.1 -42.9 -179.8 49.9 110.4 22.9 373 -1.7 381 -2.4 0 0.0 0 0.0 12 62
378 A 378 GLU E H H X TS+ 0 0 -62.5 -42.9 179.6 46.8 112.0 26.0 374 -2.3 382 -2.2 0 0.0 0 0.0 8 47
379 A 379 SER S H H X TS+ 0 0 -68.4 -35.2 -179.5 46.7 114.9 32.2 375 -2.4 383 -1.3 0 0.0 0 0.0 11 52
380 A 380 VAL V H H X >TS+ 0 0 -75.9 -34.7 178.3 51.9 111.4 32.0 376 -2.2 384 -2.0 0 0.0 385 -1.2 12 65
381 A 381 ILE I H H X >TS+ 0 0 -63.7 -54.4 -178.5 39.9 115.4 15.2 377 -2.4 386 -2.9 0 0.0 385 -0.9 13 52
382 A 382 ARG R H H < 5TS+ 0 0 -69.5 -26.0 179.9 41.6 122.8 40.3 378 -2.2 389 -1.7 0 0.0 388 -1.1 11 45
383 A 383 PHE F H H < 5TS+ 0 0 -85.9 -58.7 -178.2 16.9 131.4 17.9 379 -1.3 0 0.0 0 0.0 0 0.0 13 55
384 A 384 PHE F H H < 5TS+ 0 0 -83.9 -38.4 -176.8 35.2 133.0 30.4 380 -2.0 0 0.0 0 0.0 0 0.0 13 61
385 A 385 ALA A T h < T - 0 0 -99.1 176.8 -178.2 -87.7 37.7 115.7 0 0.0 394 -2.9 0 0.0 0 0.0 11 39
391 A 391 ALA A H H > TS+ 0 0 -53.4 -40.0 -179.9 49.6 123.8 36.5 0 0.0 395 -2.4 0 0.0 0 0.0 13 49
392 A 392 GLU E H H > TS+ 0 0 -71.5 -35.8 178.2 45.9 113.6 28.9 0 0.0 396 -2.3 0 0.0 0 0.0 11 44
393 A 393 ARG R H H > TS+ 0 0 -69.0 -44.2 178.1 52.2 111.9 21.5 0 0.0 397 -3.1 0 0.0 0 0.0 10 42
394 A 394 PHE F H H X TS+ 0 0 -53.7 -47.5 179.7 49.9 110.3 21.3 390 -2.9 398 -2.5 0 0.0 0 0.0 12 56
395 A 395 ASP D H H X TS+ 0 0 -57.3 -50.6 -179.9 47.5 111.3 21.6 391 -2.4 399 -2.7 0 0.0 0 0.0 12 60
396 A 396 ALA A H H X TS+ 0 0 -58.7 -49.2 -180.0 48.7 112.2 22.2 392 -2.3 400 -3.0 0 0.0 0 0.0 11 47
397 A 397 GLU E H H X TS+ 0 0 -57.9 -46.0 179.7 48.9 112.4 23.7 393 -3.1 401 -2.1 0 0.0 0 0.0 11 46
398 A 398 LEU L H H X TS+ 0 0 -58.4 -51.0 -179.1 45.9 114.3 18.3 394 -2.5 402 -2.3 0 0.0 0 0.0 12 63
399 A 399 THR T H H X TS+ 0 0 -60.8 -47.1 -179.7 52.6 109.4 24.5 395 -2.7 403 -1.9 0 0.0 0 0.0 11 58
400 A 400 ARG R H H < TS+ 0 0 -56.5 -47.1 179.2 46.1 112.7 20.7 396 -3.0 0 0.0 0 0.0 0 0.0 11 50
401 A 401 ALA A H H < > TS+ 0 0 -61.0 -44.4 -179.1 57.4 107.7 23.7 397 -2.1 404 -1.9 0 0.0 0 0.0 10 59
402 A 402 ARG R H H < > TS+ 0 0 -54.9 -39.2 -178.8 49.7 106.4 31.0 398 -2.3 405 -0.5 0 0.0 0 0.0 8 63
403 A 403 MET M T h < 3 TS+ 0 0 -82.4 0.9 -178.8 88.1 88.6 66.5 399 -1.9 0 0.0 0 0.0 0 0.0 8 60
404 A 404 LEU L T T < TS+ 0 0 -68.4 -40.4 -177.4 20.2 94.3 26.8 401 -1.9 0 0.0 0 0.0 0 0.0 9 59
405 A 405 TYR Y S t < TS- 0 0 -127.9 172.8 179.1 -74.3 94.7 137.3 402 -0.5 0 0.0 0 0.0 0 0.0 13 63
406 A 406 PRO P h > > T - 0 0 -63.4 150.4 -178.6 -108.9 52.0 110.1 0 0.0 410 -2.1 0 0.0 409 -1.6 13 61
407 A 407 GLU E H H > 3 TS+ 0 0 -52.5 -31.8 -179.5 63.5 116.2 39.8 0 0.0 411 -2.2 0 0.0 0 0.0 6 67
408 A 408 GLN Q H H 4 3 TS+ 0 0 -65.3 -31.1 178.6 38.9 110.3 33.6 0 0.0 0 0.0 0 0.0 0 0.0 10 60
409 A 409 ALA A H H 4 X TS+ 0 0 -80.7 -51.8 -178.7 51.6 114.4 21.0 406 -1.6 412 -1.6 0 0.0 0 0.0 11 63
410 A 410 ALA A H H < > TS+ 0 0 -53.5 -36.0 -179.2 60.8 104.2 33.7 406 -2.1 413 -0.9 0 0.0 0 0.0 12 64
411 A 411 GLN Q T h < 3 TS+ 0 0 -64.9 -28.1 -178.8 35.7 112.4 40.4 407 -2.2 0 0.0 0 0.0 0 0.0 11 65
412 A 412 GLY G T T < TS+ 0 0 -113.8 15.0 179.6 135.2 80.1 77.2 409 -1.6 0 0.0 0 0.0 0 0.0 13 71
413 A 413 LEU L e < T - 0 0 -63.0 138.2 179.1 -115.8 62.5 112.6 410 -0.9 449 -3.5 0 0.0 415 -0.9 12 73
414 A 414 TRP W E E Cpf - 449 372 -80.6 110.4 -179.2 -155.9 27.2 133.7 371 -2.0 373 -3.2 0 0.0 416 -1.1 12 74
415 A 415 ASN N E E Cp - 450 0 -91.8 96.6 -179.5 -179.7 19.6 137.3 449 -2.7 451 -1.7 413 -0.9 0 0.0 14 59
416 A 416 LEU L E E Cp - 451 0 -94.8 158.4 178.7 -161.0 29.9 124.5 414 -1.1 0 0.0 0 0.0 0 0.0 14 67
417 A 417 LEU L S e S- 0 0 -104.6 -26.9 -176.9 -26.5 77.2 49.0 451 -0.5 0 0.0 0 0.0 0 0.0 13 65
418 A 418 ASP D - 0 0 -167.4 -172.2 -179.7 -152.6 60.6 154.0 0 0.0 0 0.0 0 0.0 0 0.0 11 62
419 A 419 SER S t > T - 0 0 -164.5 -179.5 178.6 -76.7 46.9 159.3 0 0.0 422 -1.7 0 0.0 0 0.0 10 61
420 A 420 HIS H T T 3 TS+ 0 0 -67.9 -4.5 -179.9 53.3 129.8 58.7 0 0.0 0 0.0 0 0.0 0 0.0 12 56
421 A 421 ASP D T T 3 TS+ 0 0 -113.2 7.9 179.7 55.3 106.8 75.8 0 0.0 0 0.0 0 0.0 0 0.0 9 43
422 A 422 THR T S t < TS- 0 0 -135.0 169.0 177.3 -90.6 91.6 150.6 419 -1.7 0 0.0 0 0.0 0 0.0 10 39
423 A 423 GLU E - 0 0 -72.8 156.0 179.8 -90.3 60.5 116.0 0 0.0 0 0.0 0 0.0 0 0.0 15 42
424 A 424 ARG R h > T - 0 0 -70.1 145.7 -178.3 -121.7 30.3 114.7 462 -2.2 428 -1.9 0 0.0 0 0.0 16 56
425 A 425 PHE F H H > TS+ 0 0 -56.0 -37.9 179.8 59.2 111.8 30.9 0 0.0 429 -1.8 0 0.0 0 0.0 13 61
426 A 426 LEU L H H 4 >TS+ 0 0 -56.8 -46.6 179.4 45.5 108.3 21.2 0 0.0 431 -2.4 0 0.0 0 0.0 15 55
427 A 427 THR T H H 4 >5TS+ 0 0 -66.0 -34.1 178.4 57.1 107.2 32.8 0 0.0 430 -1.9 0 0.0 0 0.0 12 46
428 A 428 SER S H H < 35TS+ 0 0 -64.2 -30.9 179.2 54.8 104.4 32.2 424 -1.9 0 0.0 0 0.0 0 0.0 11 47
429 A 429 CYS C T h < >5TS- 0 0 -84.0 13.3 -179.4 -114.0 121.9 76.7 425 -1.8 432 -2.1 0 0.0 0 0.0 13 45
430 A 430 GLY G T T <5T - 0 0 56.3 33.5 179.4 -58.7 69.8 33.7 427 -1.9 0 0.0 0 0.0 0 0.0 7 30
431 A 431 GLY G T T 3 < T - 0 0 -77.4 111.4 -179.3 -170.1 30.9 130.1 429 -2.1 436 -1.8 0 0.0 0 0.0 9 36
433 A 433 GLU E H H > TS+ 0 0 -72.3 -28.6 179.6 61.6 82.5 38.9 431 -0.8 437 -2.9 0 0.0 0 0.0 8 44
434 A 434 ALA A H H > TS+ 0 0 -64.7 -38.9 179.6 42.4 109.6 26.2 0 0.0 438 -1.5 0 0.0 0 0.0 7 47
435 A 435 LYS K H H > TS+ 0 0 -72.2 -42.6 179.6 52.7 113.4 24.2 0 0.0 439 -1.7 0 0.0 0 0.0 12 48
436 A 436 PHE F H H X TS+ 0 0 -58.1 -46.9 -179.2 49.3 109.4 23.2 432 -1.8 440 -2.0 0 0.0 0 0.0 13 60
437 A 437 ARG R H H X TS+ 0 0 -63.6 -38.7 -179.7 53.8 106.6 30.1 433 -2.9 441 -2.7 0 0.0 0 0.0 9 62
438 A 438 LEU L H H X TS+ 0 0 -64.2 -35.8 179.8 50.1 109.5 27.8 434 -1.5 442 -2.0 0 0.0 0 0.0 14 63
439 A 439 ALA A H H X TS+ 0 0 -67.8 -42.6 179.0 48.1 111.0 25.0 435 -1.7 443 -3.0 0 0.0 0 0.0 10 72
440 A 440 VAL V H H X TS+ 0 0 -64.8 -40.2 179.2 54.3 108.7 25.0 436 -2.0 444 -2.7 0 0.0 0 0.0 9 75
441 A 441 LEU L H H X TS+ 0 0 -59.5 -41.9 178.4 44.4 112.4 23.5 437 -2.7 445 -0.6 0 0.0 0 0.0 10 71
442 A 442 PHE F H H X > TS+ 0 0 -66.6 -45.5 -179.8 52.9 111.7 21.0 438 -2.0 446 -1.4 0 0.0 445 -1.1 10 73
443 A 443 GLN Q H H < 3 TS+ 0 0 -57.1 -40.7 -178.6 48.4 110.2 28.9 439 -3.0 0 0.0 0 0.0 0 0.0 9 75
444 A 444 MET M H H < 3 TS+ 0 0 -80.5 -8.1 179.4 37.8 118.7 57.4 440 -2.7 0 0.0 0 0.0 0 0.0 11 75
445 A 445 THR T H H < < TS+ 0 0 -120.0 -2.9 -179.0 95.8 97.4 64.8 442 -1.1 0 0.0 441 -0.6 0 0.0 9 74
446 A 446 TYR Y S h < TS- 0 0 -88.3 167.5 179.9 -83.4 86.4 112.2 442 -1.4 0 0.0 0 0.0 0 0.0 9 74
447 A 447 LEU L S S S+ 0 0 -72.0 120.9 -179.5 40.7 92.7 124.0 0 0.0 0 0.0 0 0.0 0 0.0 12 74
448 A 448 GLY G S S S- 0 0 133.3 -179.5 -179.2 -52.5 97.5 140.2 0 0.0 0 0.0 0 0.0 0 0.0 12 67
449 A 449 THR T E E C p - 0 414 -98.4 117.4 179.9 -131.1 50.5 146.1 413 -3.5 415 -2.7 0 0.0 0 0.0 15 72
450 A 450 PRO P E E C p - 0 415 -67.6 133.4 177.7 -162.4 20.4 117.6 0 0.0 133 -2.7 0 0.0 0 0.0 12 65
451 A 451 LEU L E E Cjp - 133 416 -120.4 120.4 -179.5 -157.7 2.1 168.8 415 -1.7 417 -0.5 0 0.0 0 0.0 12 72
452 A 452 ILE I E E Cj - 134 0 -99.7 127.4 178.8 -139.6 11.3 148.3 133 -3.3 135 -3.4 0 0.0 454 -0.6 12 73
453 A 453 TYR Y E E Cj > T - 135 0 -87.4 124.0 -177.1 -93.6 42.2 140.5 0 0.0 456 -2.5 0 0.0 0 0.0 13 70
454 A 454 TYR Y T e 3 TS+ 0 0 -39.8 128.5 178.7 16.8 108.9 89.0 135 -1.9 0 0.0 452 -0.6 0 0.0 11 67
455 A 455 GLY G T g >>TS+ 0 0 94.5 -22.1 179.6 101.3 94.4 82.4 0 0.0 460 -2.0 0 0.0 458 -1.2 9 67
456 A 456 ASP D G G X5TS+ 0 0 -62.2 -38.0 -179.0 61.1 75.9 26.5 453 -2.5 459 -1.9 0 0.0 0 0.0 12 72
457 A 457 GLU E G G 35TS+ 0 0 -64.4 -15.4 178.8 44.4 107.5 50.8 0 0.0 0 0.0 0 0.0 0 0.0 11 65
458 A 458 ILE I G G <5TS- 0 0 -114.8 19.8 178.6 -99.3 124.2 84.7 455 -1.2 480 -1.9 0 0.0 0 0.0 11 49
459 A 459 GLY G T g <5T + 0 0 70.3 36.6 178.1 169.1 58.3 35.2 456 -1.9 0 0.0 0 0.0 0 0.0 11 54
460 A 460 MET M t TS- 0 0 -60.4 171.8 -179.7 -8.6 92.9 91.1 0 0.0 467 -2.1 0 0.0 0 0.0 11 31
465 A 465 ASP D T T 3 TS+ 0 0 -41.2 134.5 0.3 18.8 132.0 93.1 0 0.0 0 0.0 0 0.0 0 0.0 10 36
466 A 466 PRO P T g > TS+ 0 0 -90.0 4.4 -178.7 54.7 125.4 169.6 0 0.0 469 -1.5 0 0.0 0 0.0 12 35
467 A 467 ASP D G G X TS+ 0 0 -70.5 -15.0 179.4 61.2 101.2 48.2 464 -2.1 470 -0.6 0 0.0 0 0.0 12 44
468 A 468 CYS C G G 3 TS+ 0 0 -85.6 -4.6 -178.9 67.6 94.8 58.1 0 0.0 0 0.0 0 0.0 0 0.0 15 53
469 A 469 ARG R G G < T + 0 0 -104.9 31.2 178.4 146.2 68.4 96.2 466 -1.5 0 0.0 0 0.0 0 0.0 11 57
470 A 470 ARG R g < T - 0 0 -63.6 156.2 179.6 -84.1 62.9 106.4 467 -0.6 0 0.0 0 0.0 0 0.0 12 59
471 A 471 PRO P - 0 0 -66.2 135.2 -179.8 -94.9 56.6 115.4 0 0.0 0 0.0 0 0.0 0 0.0 12 58
472 A 472 MET M - 0 0 -50.2 135.2 179.6 -120.8 35.9 100.2 140 -2.6 474 -0.8 0 0.0 0 0.0 10 63
473 A 473 ILE I + 0 0 -84.9 109.4 -179.7 164.6 40.6 137.3 0 0.0 0 0.0 0 0.0 0 0.0 12 50
474 A 474 TRP W + 0 0 -99.5 -20.6 178.9 104.0 40.6 48.2 472 -0.8 476 -0.7 0 0.0 0 0.0 6 41
475 A 475 GLU E g > > T - 0 0 -66.8 111.5 -178.2 -145.1 66.7 121.0 0 0.0 478 -2.3 0 0.0 479 -0.6 6 26
476 A 476 GLU E G G 4 > TS+ 0 0 -46.6 -39.9 179.8 56.2 97.2 36.1 474 -0.7 479 -1.0 0 0.0 0 0.0 8 22
477 A 477 LYS K G G 4 3 TS+ 0 0 -67.7 -22.4 180.0 47.4 109.5 41.7 0 0.0 0 0.0 0 0.0 0 0.0 5 17
478 A 478 GLU E G G 4 < TS+ 0 0 -97.3 -1.5 179.0 86.0 98.5 64.3 475 -2.3 0 0.0 0 0.0 0 0.0 8 26
479 A 479 GLN Q S g < < TS- 0 0 -96.1 156.3 178.1 -118.4 84.9 130.9 476 -1.0 481 -1.2 475 -0.6 0 0.0 11 33
480 A 480 ASN N h > T + 0 0 -94.3 93.0 -178.1 174.5 36.3 140.5 458 -1.9 484 -2.0 0 0.0 0 0.0 11 33
481 A 481 ARG R H H > TS+ 0 0 -74.4 -17.5 178.4 64.0 73.9 47.1 479 -1.2 485 -2.1 0 0.0 0 0.0 8 29
482 A 482 GLY G H H > TS+ 0 0 -67.9 -47.0 179.0 41.3 108.2 17.9 0 0.0 486 -1.3 0 0.0 0 0.0 6 27
483 A 483 LEU L H H > TS+ 0 0 -63.0 -45.0 -179.7 57.6 111.4 24.0 0 0.0 487 -2.6 0 0.0 0 0.0 11 44
484 A 484 PHE F H H X TS+ 0 0 -53.7 -45.5 179.7 46.5 107.2 26.6 480 -2.0 488 -2.4 0 0.0 0 0.0 12 45
485 A 485 GLU E H H X TS+ 0 0 -68.6 -27.8 179.2 56.7 109.3 38.6 481 -2.1 489 -2.3 0 0.0 0 0.0 8 34
486 A 486 PHE F H H X TS+ 0 0 -67.4 -51.1 178.4 44.2 109.1 17.7 482 -1.3 490 -2.7 0 0.0 0 0.0 8 45
487 A 487 TYR Y H H X TS+ 0 0 -57.2 -50.7 -179.9 52.0 113.5 19.1 483 -2.6 491 -3.2 0 0.0 0 0.0 11 56
488 A 488 LYS K H H X TS+ 0 0 -52.9 -46.9 -179.8 46.4 111.5 24.0 484 -2.4 492 -2.4 0 0.0 0 0.0 11 45
489 A 489 GLU E H H X TS+ 0 0 -64.5 -45.1 179.3 47.8 113.3 23.3 485 -2.3 493 -2.4 0 0.0 0 0.0 8 42
490 A 490 LEU L H H X TS+ 0 0 -62.2 -41.2 179.9 51.5 112.1 23.8 486 -2.7 494 -2.5 0 0.0 0 0.0 10 56
491 A 491 ILE I H H X TS+ 0 0 -62.9 -41.6 179.1 49.9 108.7 24.8 487 -3.2 495 -1.6 0 0.0 0 0.0 13 51
492 A 492 ARG R H H X TS+ 0 0 -62.9 -41.5 179.5 50.3 111.3 23.1 488 -2.4 496 -1.3 0 0.0 0 0.0 9 37
493 A 493 LEU L H H X > TS+ 0 0 -61.3 -45.4 -179.5 56.0 104.8 23.5 489 -2.4 497 -2.3 0 0.0 496 -0.5 9 51
494 A 494 ARG R H H < 3 TS+ 0 0 -56.5 -38.0 179.8 47.1 109.7 29.8 490 -2.5 0 0.0 0 0.0 0 0.0 13 57
495 A 495 HIS H H H < 3 TS+ 0 0 -76.7 -24.3 -179.6 47.5 113.6 41.2 491 -1.6 0 0.0 0 0.0 0 0.0 10 46
496 A 496 ARG R H H < < TS+ 0 0 -87.4 -27.1 -179.6 66.2 102.3 41.1 492 -1.3 498 -0.8 493 -0.5 0 0.0 6 38
497 A 497 LEU L h X > T - 0 0 -102.1 104.7 -179.1 -162.7 65.0 148.2 493 -2.3 500 -1.4 0 0.0 501 -0.6 9 46
498 A 498 ALA A H H > > TS+ 0 0 -53.1 -31.1 179.9 65.6 87.6 38.6 496 -0.8 502 -3.1 0 0.0 501 -0.8 11 46
499 A 499 SER S H H > 3 TS+ 0 0 -61.1 -38.3 -178.1 57.9 93.9 31.8 0 0.0 503 -1.5 0 0.0 0 0.0 13 48
500 A 500 LEU L H H 4 < TS+ 0 0 -68.5 -21.5 -179.7 26.2 120.5 43.5 497 -1.4 0 0.0 0 0.0 0 0.0 15 60
501 A 501 THR T H H < < TS+ 0 0 -109.1 -40.0 -178.3 21.0 137.6 38.9 498 -0.8 0 0.0 497 -0.6 0 0.0 12 58
502 A 502 ARG R H H < TS+ 0 0 -116.8 14.5 -179.9 104.7 98.4 77.0 498 -3.1 0 0.0 0 0.0 0 0.0 10 47
503 A 503 GLY G h < T - 0 0 -95.5 164.8 178.2 -117.3 66.5 120.8 499 -1.5 0 0.0 0 0.0 0 0.0 11 49
504 A 504 ASN N E E EQ - 522 0 -84.7 178.0 178.9 -121.2 30.6 106.7 522 -2.3 522 -1.3 0 0.0 0 0.0 9 54
505 A 505 VAL V E E EQ + 521 0 -129.2 137.1 178.0 174.7 28.2 171.7 0 0.0 0 0.0 0 0.0 0 0.0 10 61
506 A 506 ARG R E E EQ - 520 0 -138.8 136.3 178.4 -114.8 34.8 178.4 520 -1.8 520 -2.9 0 0.0 0 0.0 9 56
507 A 507 SER S E E EQ + 519 0 -70.3 137.2 -177.2 179.4 30.8 121.2 0 0.0 0 0.0 0 0.0 0 0.0 10 52
508 A 508 TRP W E E E* - 0 0 -108.2 -39.5 -179.6 -3.0 62.0 41.0 518 -2.9 0 0.0 0 0.0 0 0.0 11 54
509 A 509 HIS H E E EQ - 518 0 -157.8 144.2 178.7 -177.5 52.5 167.6 518 -2.1 518 -2.8 0 0.0 0 0.0 9 50
510 A 510 ALA A E E EQ + 517 0 -149.2 116.4 -179.6 175.5 4.5 155.9 0 0.0 0 0.0 0 0.0 0 0.0 12 44
511 A 511 ASP D E E >EQ >T - 516 0 -126.9 109.8 -179.7 -169.1 13.0 161.2 516 -2.3 515 -1.5 0 0.0 516 -1.2 10 34
512 A 512 LYS K T T 4 5TS+ 0 0 -66.5 -28.4 -179.0 49.5 89.5 39.2 0 0.0 0 0.0 0 0.0 0 0.0 10 34
513 A 513 GLN Q T T 4 5TS+ 0 0 -78.2 -49.3 179.4 31.4 120.8 19.4 0 0.0 0 0.0 0 0.0 0 0.0 6 30
514 A 514 ALA A T T 4 5TS- 0 0 -80.1 -15.3 -178.9 -136.1 102.2 48.6 0 0.0 0 0.0 0 0.0 0 0.0 8 40
515 A 515 ASN N T e < 5T + 0 0 58.9 42.2 179.5 148.0 52.4 27.9 511 -1.5 534 -1.2 0 0.0 0 0.0 13 52
516 A 516 LEU L E E EQR TS- 0 526 -148.6 123.9 -177.4 -40.6 72.7 161.3 526 -1.6 526 -2.3 0 0.0 0 0.0 11 35
524 A 524 GLN Q T T 3 TS- 0 0 55.4 -126.5 -179.9 -23.8 125.4 110.2 0 0.0 0 0.0 0 0.0 0 0.0 4 24
525 A 525 ASP D T T 3 TS+ 0 0 -93.6 -3.4 180.0 108.1 113.9 61.5 0 0.0 0 0.0 0 0.0 0 0.0 7 29
526 A 526 GLN Q E E ER < T - 523 0 -80.2 136.9 177.9 -178.0 44.3 124.1 523 -2.3 523 -1.6 0 0.0 0 0.0 12 41
527 A 527 HIS H E E ER - 522 0 -132.8 134.0 176.7 -174.1 8.8 177.1 0 0.0 583 -2.3 0 0.0 0 0.0 14 51
528 A 528 VAL V E E ERS - 521 582 -130.1 111.5 -180.0 -160.1 11.9 163.7 521 -2.1 521 -2.5 0 0.0 0 0.0 14 59
529 A 529 GLY G E E ERS - 520 581 -95.5 134.0 -179.9 -161.1 1.1 142.6 581 -3.1 581 -3.3 0 0.0 531 -0.5 13 71
530 A 530 VAL V E E ERS - 519 580 -117.9 121.7 -179.2 -169.4 4.9 165.1 519 -3.1 519 -2.1 0 0.0 0 0.0 13 68
531 A 531 VAL V E E ERS - 518 579 -113.6 125.1 -178.6 -165.6 2.3 160.9 579 -2.0 579 -2.1 529 -0.5 533 -0.6 12 71
532 A 532 LEU L E E ERS - 517 578 -116.6 114.3 178.5 -165.4 10.0 157.9 517 -2.7 517 -1.7 0 0.0 534 -1.2 13 67
533 A 533 ASN N E E ER - 516 0 -95.6 90.8 -177.8 -178.0 11.4 139.1 577 -2.4 535 -1.6 531 -0.6 576 -0.6 15 57
534 A 534 ASN N e + 0 0 -91.3 64.6 -178.9 93.8 48.0 116.8 515 -1.2 0 0.0 532 -1.2 0 0.0 13 59
535 A 535 ARG R S S S- 0 0 -153.1 141.5 -180.0 -125.1 78.8 169.9 533 -1.6 576 -1.8 0 0.0 0 0.0 10 48
536 A 536 GLY G S S S+ 0 0 -77.8 26.8 -179.3 82.7 88.6 83.7 0 0.0 0 0.0 0 0.0 0 0.0 6 33
537 A 537 GLU E S S S- 0 0 -132.1 150.3 178.3 -107.8 87.9 162.0 0 0.0 0 0.0 0 0.0 0 0.0 7 24
538 A 538 LYS K - 0 0 -74.7 124.2 -178.9 -176.5 49.5 129.6 0 0.0 0 0.0 0 0.0 0 0.0 9 26
539 A 539 GLN Q E E FT - 573 0 -131.4 151.5 179.6 -146.7 23.3 161.0 573 -2.1 573 -3.1 0 0.0 0 0.0 10 32
540 A 540 THR T E E FT + 572 0 -114.6 136.4 179.5 179.1 21.3 158.2 0 0.0 0 0.0 0 0.0 0 0.0 8 36
541 A 541 VAL V E E FT - 571 0 -138.4 152.6 178.5 -138.1 24.7 166.7 571 -3.2 571 -3.3 0 0.0 543 -0.6 7 45
542 A 542 LEU L E E FT - 570 0 -111.3 113.5 -179.8 -165.9 23.4 160.7 0 0.0 0 0.0 0 0.0 0 0.0 8 37
543 A 543 LEU L E E FT - 569 0 -100.5 148.2 179.7 -118.3 21.7 137.6 569 -3.4 569 -3.3 541 -0.6 0 0.0 10 47
544 A 544 GLN Q E E FT + 568 0 -86.7 131.4 -178.7 169.5 36.1 135.1 0 0.0 0 0.0 0 0.0 0 0.0 8 39
545 A 545 VAL V e - 0 0 -145.3 82.9 179.6 -153.2 22.0 128.4 567 -2.9 0 0.0 0 0.0 0 0.0 11 37
546 A 546 PRO P g > T - 0 0 -57.4 130.0 -178.0 -117.9 31.6 110.9 0 0.0 549 -2.4 0 0.0 0 0.0 9 26
547 A 547 GLU E G G > TS+ 0 0 -44.2 -22.2 179.9 79.8 104.6 51.6 0 0.0 550 -1.4 0 0.0 0 0.0 8 24
548 A 548 SER S G G 3 TS+ 0 0 -59.5 -30.6 179.6 47.6 94.8 34.6 0 0.0 0 0.0 0 0.0 0 0.0 4 24
549 A 549 GLY G G G < TS- 0 0 -86.9 -5.9 -179.8 -86.0 130.0 57.8 546 -2.4 0 0.0 0 0.0 0 0.0 9 38
550 A 550 GLY G g < T - 0 0 122.0 165.3 179.7 -127.3 19.7 117.5 547 -1.4 0 0.0 0 0.0 0 0.0 9 33
551 A 551 LYS K S e S+ 0 0 -130.0 3.6 179.6 61.4 86.9 72.7 0 0.0 564 -2.3 0 0.0 0 0.0 12 34
552 A 552 THR T E E EU + 563 0 -136.0 136.7 179.8 178.9 58.2 176.2 0 0.0 0 0.0 0 0.0 0 0.0 10 38
553 A 553 TRP W E E EU - 562 0 -137.1 155.5 179.4 -143.0 18.7 164.0 562 -2.3 562 -2.5 0 0.0 0 0.0 12 44
554 A 554 LEU L E E EUV - 561 582 -120.8 126.1 178.2 -134.0 18.0 167.1 582 -1.9 582 -2.5 0 0.0 556 -1.1 13 36
555 A 555 ASP D E E >E V> T - 0 581 -79.1 104.9 -178.2 -157.3 17.9 135.3 560 -2.7 559 -3.7 0 0.0 558 -0.8 13 44
556 A 556 CYS C T e 4 3 TS+ 0 0 -58.9 -18.8 179.9 54.1 87.7 47.9 580 -2.7 0 0.0 554 -1.1 0 0.0 11 44
557 A 557 LEU L T T 4 3 TS+ 0 0 -87.0 -30.1 -178.6 15.3 126.6 38.3 0 0.0 0 0.0 0 0.0 0 0.0 6 45
558 A 558 THR T T T 4 < TS- 0 0 -119.3 -16.9 -179.2 -122.8 91.3 53.5 555 -0.8 0 0.0 0 0.0 0 0.0 5 27
559 A 559 GLY G t < T + 0 0 87.2 -5.1 179.7 150.4 58.6 66.8 555 -3.7 0 0.0 0 0.0 0 0.0 7 21
560 A 560 GLU E e - 0 0 -61.1 145.8 179.7 -138.3 40.6 107.2 0 0.0 555 -2.7 0 0.0 562 -0.5 7 28
561 A 561 GLU E E E EU - 554 0 -112.2 121.8 -179.8 -168.1 20.2 160.8 0 0.0 0 0.0 0 0.0 0 0.0 8 28
562 A 562 VAL V E E EU - 553 0 -110.7 153.4 -178.3 -154.7 4.1 143.2 553 -2.5 553 -2.3 560 -0.5 0 0.0 9 41
563 A 563 HIS H E E EU - 552 0 -130.8 138.6 178.9 -135.5 11.3 167.7 0 0.0 0 0.0 0 0.0 0 0.0 8 35
564 A 564 GLY G e - 0 0 -91.6 133.5 179.3 -153.2 17.2 139.4 551 -2.3 566 -0.6 0 0.0 0 0.0 11 32
565 A 565 LYS K B B G > TS- 568 0 -110.5 117.7 179.2 -18.9 73.6 158.4 568 -2.7 568 -0.6 0 0.0 0 0.0 7 23
566 A 566 GLN Q T T 3 TS- 0 0 56.5 48.2 179.1 -47.2 130.3 23.0 564 -0.6 0 0.0 0 0.0 0 0.0 5 19
567 A 567 GLY G T e 3 TS+ 0 0 69.3 19.2 179.2 105.8 120.0 45.9 0 0.0 545 -2.9 0 0.0 0 0.0 10 24
568 A 568 GLN Q E E FTG< T - 544 565 -132.5 144.3 -179.9 -154.6 54.4 169.3 565 -0.6 565 -2.7 0 0.0 570 -0.5 11 27
569 A 569 LEU L E E FT - 543 0 -123.4 111.0 180.0 -158.1 8.2 160.9 543 -3.3 543 -3.4 0 0.0 571 -0.5 12 43
570 A 570 LYS K E E FT - 542 0 -88.5 124.9 -179.1 -179.8 18.2 139.5 568 -0.5 0 0.0 0 0.0 0 0.0 9 39
571 A 571 LEU L E E FT - 541 0 -131.2 139.6 178.3 -161.5 19.8 169.6 541 -3.3 541 -3.2 569 -0.5 573 -0.5 8 48
572 A 572 THR T E E FT - 540 0 -120.9 116.6 -177.8 -167.0 17.8 167.3 0 0.0 0 0.0 0 0.0 0 0.0 8 39
573 A 573 LEU L E E FT - 539 0 -108.7 143.4 177.5 -130.7 15.8 146.2 539 -3.1 539 -2.1 571 -0.5 0 0.0 11 40
574 A 574 ARG R t > T - 0 0 -79.7 167.2 -179.8 -57.7 58.8 111.1 0 0.0 577 -2.4 0 0.0 0 0.0 9 32
575 A 575 PRO P T T 3 TS- 0 0 -51.2 125.9 179.7 -9.3 123.5 102.6 0 0.0 0 0.0 0 0.0 0 0.0 11 32
576 A 576 TYR Y T T 3 TS+ 0 0 55.2 29.7 179.6 157.0 97.4 42.4 535 -1.8 0 0.0 533 -0.6 0 0.0 14 46
577 A 577 GLN Q e < T - 0 0 -86.1 144.4 178.0 -161.1 26.2 126.3 574 -2.4 533 -2.4 0 0.0 0 0.0 10 46
578 A 578 GLY G E E ES - 532 0 -124.2 139.7 178.9 -160.2 1.4 166.4 0 0.0 0 0.0 0 0.0 0 0.0 11 61
579 A 579 MET M E E ES - 531 0 -120.3 145.4 178.9 -156.5 8.9 159.7 531 -2.1 531 -2.0 0 0.0 581 -0.6 11 65
580 A 580 ILE I E E ES - 530 0 -122.4 93.9 -177.6 -163.6 18.4 150.8 0 0.0 556 -2.7 0 0.0 582 -0.7 12 69
581 A 581 LEU L E E ESV - 529 555 -87.7 112.7 179.4 -166.1 4.1 135.0 529 -3.3 529 -3.1 579 -0.6 0 0.0 12 61
582 A 582 TRP W E E ESV - 528 554 -98.9 129.1 -178.6 -149.8 15.4 146.6 554 -2.5 554 -1.9 580 -0.7 0 0.0 13 52
583 A 583 ASN N e - 0 0 -81.3 13.6 178.4 -110.9 44.5 74.6 527 -2.3 0 0.0 0 0.0 0 0.0 13 47
584 A 584 GLY G 0 0 76.0 -1.7 -178.8 999.9 999.9 66.0 0 0.0 0 0.0 0 0.0 0 0.0 8 37
585 A 585 ARG R 0 0 -104.6 999.9 999.9 999.9 999.9 58.2 0 0.0 0 0.0 0 0.0 0 0.0 6 31
1ji2A.pdb
1JI2 HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand GGG B SSTTTEEEEETTEEEEEEEEETTT SEEEEEEE TT TTS EEEE EEEEE SSEEEEEEEEE TTS EEEEEEEE TTS EEEEETTE Kabs/Sand
chirality -+++-+--++-+++--+-++------+--+++++-+--++--++--++----+---------++----+---+++-++-+-------+-+-+--+-+-- chirality
bends SSS SSSSSS SSSS SSSS S SS SSS SS SSS SSS SS bends
turns TTTTT TTTTT TTTT TTTTT TTTTTTTT TTTT TTTT TTTT turns
5-turns 5-turns
3-turns >>3<< >33< >33< >33< >33<>33< >33< >33< >33< 3-turns
bridge-2 BBBBBBBBB DDDD EEEE FFF GGGG HHH bridge-2
bridge-1 A AAA*A AAAA A CCCCCCC DDDD EE*EE BBBBBBBBB CCCCCCC GGGG H bridge-1
sheets AAAAA AAAAAAAAA BBBBBBB BBBB AAAAA AAAAAAAAA BBBBBBBB BBBBB B sheets
4-turns >444< >444< 4-turns
summary gGGGgB StTTeEEEEETeEEEEEEEEEeTTtSEEEEEEEtTTttTTt EEEEeEEEEEeSeEEEEEEEEEeTTt EEEEEEEEeTTteEEEEETTE summary
sequence MLLEAIFHEAKGSYAYPISETQLRVRLRAKKGDVVRCEVLYADRYASPEEELAHALAGKAGSDERFDYFEALLECSTKRVKYVFLLTGPQGEAVYFGETG sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EESSHHHH EEE GGGS TGGGG EEEE GGGT GGG TT TT TT HHHHHHTHHHHHHHT SEEEE EE SS Kabs/Sand
chirality +-+-+++----------+++-----+++++-------+++--++++++--++---+-++----++-+-++-+++++++++++++-+-+-----++-+-+- chirality
bends SSSSSS SSSS SSSSS SSSS SSS SS SS SS SSSSSSSSSSSSSS S S SS bends
turns TTTTTT TTTTT TTTTTTT TTTTTT TTTTTTTTT TTTT TTTT TTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >>3<< >>3<< >>><<< >>3<< >>3<<>33< >33< >33< >3><3< 3-turns
bridge-2 jjj kkk bridge-2
bridge-1 HH FFF iiii iiii LL bridge-1
sheets BB BBB CCCC CCCC DD sheets
4-turns >>44<< >444< >444< >>>><<>>X<<<< 4-turns
summary EEShHHHHh EEE gGGGg tgGGGGgeEEEEgGGGgt gGGGgtTTt tTTt tTTt hHHHHHHhHHHHHHHhteEEEEe eEE SS summary
sequence FSAERSKAGVFQYAYIHRSEVFTTPEWAKEAVIYQIFPERFANGDPSNDPPGTEQWAKDARPRHDSFYGGDLKGVIDRLPYLEELGVTALYFTPIFASPS sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand SS S SEEEEE TTT HHHHHHHHHHHHHTT EEEEEE SB TTSHHHHHHHHHGGG TTGGGB BSSSS SS SB BSSSS TT BBB TTS Kabs/Sand
chirality +-++-++-++---++---+++++++++++++-+-------+++---++-++++++++--++-+++++-+---+-++--++-+-+----+-++----+++- chirality
bends SS S S SSS SSS SSSSSSSSSSSSSSS S SSSSSSSSSSSSSSS S SSSS SSSS SS SS SSSS SS SSS bends
turns TTTT TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTT TTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >>3<< >33X33< >>3X3<< >33< >33< 3-turns
bridge-2 mmmm bridge-2
bridge-1 L***L kkk B C D D E EBC bridge-1
sheets DDDDD CCCCCC sheets
4-turns >444<>>>>XXXXXXX<<<< >>>>XXX<<<< > 4-turns
summary SS S SEEEEEeTTTthHHHHHHHHHHHHHhTtEEEEEE SB tTThHHHHHHHHHhGGgTgGGGB BSSSS SS SB BSSSStTTtBBBtTTh summary
sequence HHKYDTADYLAIDPQFGDLPTFRRLVDEAHRRGIKIILDAVFNHAGDQFFAFRDVLQKGEQSRYKDWFFIEDFPVSKTSRTNYETFAVQVPAMPKLRTEN sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HHHHHHHHHHHHHHHHTT EEEESSGGGS HHHHHHHHHHHHHH TT EEEE SS GGG SSSS SEEB HHHHHHHHHHHTS S HHHHHHHHHH Kabs/Sand
chirality ++++++++++++++++-+-------++++--++++++++++++++-++--+--+-+--+++++-+++-----+++++++++++++-++--++++++++++ chirality
bends SSSSSSSSSSSSSSSSS SS SSS SSSSSSSSSSSSSS SS SS SS SSSS S SSSSSSSSSSSSS S SSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTT TTTTT TTTTTTTTTTTTTT TTTTTTTTTTT turns
5-turns >5555< >>555<< 5-turns
3-turns >33< >>3<< >33< >>3<< >33< 3-turns
bridge-2 nnn oo bridge-2
bridge-1 mmmm nnn oof bridge-1
sheets CCCC CCCC CC sheets
4-turns >>>XXXXXXXXXX<<<< >>>>XXXXXXXX<<<< >444< >>>>XXXXX<<<< >>>>XXXXXX< 4-turns
summary HHHHHHHHHHHHHHHHhTteEEEEegGGGghHHHHHHHHHHHHHHhTTtEEEE SS gGGGgSSSS SEEehHHHHHHHHHHHht ShHHHHHHHHHH summary
sequence PEVKEYLFDVARFWMEQGIDGWRLDVANEVDHAFWREFRRLVKSLNPDALIVGEIWHDASGWLMGDQFDSVMNYLFRESVIRFFATGEIHAERFDAELTR sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand HHTTS HHHHTT EEES TTS HHHHTTT HHHHHHHHHHHHHSSSEEEEETTGGGT STTGGG GGGS HHHHHHHHHHHHHHHH HHH Kabs/Sand
chirality ++++--++++++-------++---++++--+-+++++++++++++-+------++++-+-+---+++++---++-+++-+++++++++++++++++-+++ chirality
bends SSSSS SSSSSS S SSS SSSSS S SSSSSSSSSSSSSSSS SSSSS SSSSS SSSS SSSSSSSSSSSSSSSS SSS bends
turns TTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTT TTTTTTTT TTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>3<<>33X>3<< >33< >3><3< >33< >3>X3<< >3>X3<< >>3<< >33<>>3< 3-turns
bridge-2 f ppp bridge-2
bridge-1 ppp jjj bridge-1
sheets CCC CCCCC sheets
4-turns <<< >>44<< >>44<< >>>>XXXXXXX<<<< >444<>>>>XXXXXXXXXX<<>4 4-turns
summary HHhTthHHHHhTeEEEe tTTt hHHHHhTThHHHHHHHHHHHHHhSSEEEEEegGGGgt tTgGGGg gGGGghHHHHHHHHHHHHHHHHhHHH summary
sequence ARMLYPEQAAQGLWNLLDSHDTERFLTSCGGNEAKFRLAVLFQMTYLGTPLIYYGDEIGMAGATDPDCRRPMIWEEKEQNRGLFEFYKELIRLRHRLASL sequence
410 420 430 440 450 460 470 480 490 500
author author
Kabs/Sand HH EEEEEEEETTTTEEEEEEEETTEEEEEEEE SSS EEEEEE GGG SEEEETTT EEE BTTEEEEEE TT EEEEE Kabs/Sand
chirality ++--+-+--+-++-+-++---+--+--------+-+---+---+--++--++---++-+-------+--------+------- chirality
bends SS SSS SSS SSS SSS S SSS SSS SS bends
turns TTT TTTTTT TTTT TTTTT TTTTT TTTT TTTT turns
5-turns >5555< 5-turns
3-turns < >33< >>3<< >33< >33< >33< 3-turns
bridge-2 RRRRRRRR SSSSS VV G VV bridge-2
bridge-1 QQQQ*QQQ QQQQQQQ RRRRRRRR TTTTTT UUU UUU G TTTTTT SSSSS bridge-1
sheets EEEEEEEE EEEEEEEE EEEEEEEE FFFFFF EEEE EEE FFFFFF EEEEE sheets
4-turns <<< >444< >444< 4-turns
summary HHhEEEEEEEETTTeEEEEEEEETTEEEEEEEEeSSS EEEEEEegGGGgeEEEEeTTteEEEeBTeEEEEEEtTTeEEEEEe summary
sequence TRGNVRSWHADKQANLYAFVRTVQDQHVGVVLNNRGEKQTVLLQVPESGGKTWLDCLTGEEVHGKQGQLKLTLRPYQGMILWNGR sequence
510 520 530 540 550 560 570 580