Secondary structure calculation program - copyright by David Keith Smith, 1989
1dx4A.pdb
1DX4 HYDROLASE (SERINE ESTERASE) MOL_ID: 1; MOL_ID: 1;
Sequence length - 537
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 3 ASP D 0 0 999.9 140.2 178.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 21
2 A 4 ARG R + 0 0 -113.2 -7.0 178.6 69.7 999.9 64.4 0 0.0 0 0.0 0 0.0 0 0.0 4 27
3 A 5 LEU L S e S+ 0 0 -97.7 28.9 -179.9 110.2 81.4 93.0 0 0.0 14 -2.0 0 0.0 0 0.0 10 36
4 A 6 VAL V E E AA - 13 0 -110.8 132.4 -179.6 -171.7 47.8 155.7 0 0.0 0 0.0 0 0.0 0 0.0 10 39
5 A 7 VAL V E E AA - 12 0 -125.5 147.6 -179.3 -127.4 23.6 158.6 12 -3.3 12 -2.2 0 0.0 7 -0.9 9 47
6 A 8 GLN Q E E AA - 11 0 -96.4 98.3 179.5 -175.5 31.9 141.7 0 0.0 0 0.0 0 0.0 0 0.0 9 37
7 A 9 THR T E E AA > T - 10 0 -91.5 158.0 -179.9 -102.8 43.9 125.3 10 -3.0 10 -2.2 5 -0.9 0 0.0 9 48
8 A 10 SER S T T 3 TS+ 0 0 -50.0 -18.5 -178.7 44.9 126.6 47.9 0 0.0 0 0.0 0 0.0 0 0.0 7 37
9 A 11 SER S T T 3 TS- 0 0 -104.7 -12.1 178.9 -77.7 124.9 57.5 0 0.0 51 -2.6 0 0.0 0 0.0 9 41
10 A 12 GLY G E E AA < T - 7 0 148.2 -169.4 -179.8 -23.5 66.8 159.2 7 -2.2 7 -3.0 0 0.0 0 0.0 12 35
11 A 13 PRO P E E AA - 6 0 -80.4 134.7 -179.5 -176.1 50.9 126.6 0 0.0 55 -2.5 0 0.0 0 0.0 13 34
12 A 14 VAL V E E AAb - 5 55 -136.9 135.5 178.5 -167.7 10.5 176.6 5 -2.2 5 -3.3 0 0.0 0 0.0 15 42
13 A 15 ARG R E E AAb + 4 56 -126.3 122.3 179.8 163.0 14.6 166.7 55 -2.5 57 -2.4 0 0.0 0 0.0 15 42
14 A 16 GLY G e - 0 0 -104.6 -132.7 179.3 -89.9 36.8 77.8 3 -2.0 0 0.0 0 0.0 0 0.0 13 45
15 A 17 ARG R E E BC - 26 0 -146.4 160.2 -179.7 -112.0 27.3 163.9 26 -1.2 26 -2.8 0 0.0 0 0.0 10 37
16 A 18 SER S E E BC - 25 0 -99.7 141.4 -179.5 -174.5 30.8 140.8 0 0.0 0 0.0 0 0.0 0 0.0 9 37
17 A 19 VAL V E E BC - 24 0 -132.6 155.5 179.4 -150.6 16.1 157.8 24 -2.3 24 -2.9 0 0.0 0 0.0 10 35
18 A 20 THR T E E BC + 23 0 -131.6 110.4 179.4 158.3 26.4 161.8 0 0.0 0 0.0 0 0.0 0 0.0 8 30
19 A 21 VAL V E E BC > TS+ 22 0 -131.5 144.8 -178.9 5.2 70.6 168.3 22 -2.3 22 -0.8 0 0.0 0 0.0 10 35
20 A 22 GLN Q T T 3 TS- 0 0 48.4 41.7 -179.9 -62.9 132.3 25.4 0 0.0 0 0.0 0 0.0 0 0.0 7 34
21 A 23 GLY G T T 3 TS+ 0 0 49.4 49.7 -179.2 115.7 114.4 25.7 0 0.0 0 0.0 0 0.0 0 0.0 5 22
22 A 24 ARG R E E BC < T - 19 0 -147.7 132.6 179.3 -127.1 64.2 170.8 19 -0.8 19 -2.3 0 0.0 0 0.0 11 28
23 A 25 GLU E E E BC + 18 0 -85.0 133.9 179.2 179.9 29.1 133.4 0 0.0 100 -2.8 0 0.0 0 0.0 11 32
24 A 26 VAL V E E BCD - 17 99 -134.0 133.5 179.1 -136.4 23.2 178.5 17 -2.9 17 -2.3 0 0.0 26 -0.6 15 45
25 A 27 HIS H E E BCD - 16 98 -93.1 123.0 -176.9 -156.6 21.8 144.7 98 -3.8 98 -2.8 0 0.0 27 -0.6 13 52
26 A 28 VAL V E E BCD - 15 97 -110.1 114.3 179.5 -177.4 13.3 152.0 15 -2.8 15 -1.2 24 -0.6 28 -0.6 14 57
27 A 29 TYR Y E E B D + 0 96 -110.3 111.2 179.4 172.6 10.6 155.5 96 -2.8 96 -3.1 25 -0.6 0 0.0 14 58
28 A 30 THR T E E B D + 0 95 -120.2 139.1 179.4 28.9 56.0 160.2 57 -1.4 0 0.0 26 -0.6 0 0.0 14 59
29 A 31 GLY G E E B * + 0 0 89.8 27.7 178.9 157.6 65.0 39.4 94 -0.8 0 0.0 0 0.0 0 0.0 13 59
30 A 32 ILE I E E B D - 0 94 -85.5 120.7 -179.4 -128.4 40.3 139.1 94 -2.6 94 -3.8 0 0.0 0 0.0 11 67
31 A 33 PRO P E E B D + 0 93 -72.6 136.6 179.5 177.0 29.1 118.9 0 0.0 0 0.0 0 0.0 0 0.0 9 64
32 A 34 TYR Y e + 0 0 -120.1 12.3 179.8 25.8 66.7 77.2 92 -1.3 0 0.0 0 0.0 0 0.0 12 56
33 A 35 ALA A S S S- 0 0 -168.6 157.6 178.8 -85.2 89.0 169.3 92 -0.6 0 0.0 0 0.0 0 0.0 12 52
34 A 36 LYS K - 0 0 -67.0 132.2 179.8 -91.4 65.4 119.1 46 -2.9 0 0.0 0 0.0 0 0.0 11 42
35 A 37 PRO P - 0 0 -48.2 110.8 -179.8 -131.4 38.6 105.0 0 0.0 37 -3.3 0 0.0 0 0.0 10 48
36 A 38 PRO P + 0 0 -67.2 67.1 -177.8 139.9 59.8 108.3 0 0.0 0 0.0 0 0.0 0 0.0 14 56
37 A 39 VAL V g > T - 0 0 -115.8 157.5 179.9 -17.3 55.9 140.3 35 -3.3 40 -2.3 0 0.0 0 0.0 8 48
38 A 40 A GLU E G G > TS+ 0 0 55.5 -114.2 -179.0 15.7 137.9 108.5 0 0.0 41 -1.7 0 0.0 0 0.0 7 33
39 A 41 ASP D G G 3 TS+ 0 0 -64.3 -16.6 -179.5 58.1 127.4 49.3 0 0.0 0 0.0 0 0.0 0 0.0 6 31
40 A 42 LEU L G G X TS+ 0 0 -97.2 5.9 178.5 120.9 76.6 67.8 37 -2.3 43 -0.8 0 0.0 0 0.0 10 46
41 A 43 ARG R T g < TS+ 0 0 -68.0 144.6 -179.9 6.8 84.0 114.0 38 -1.7 0 0.0 0 0.0 0 0.0 9 57
42 A 44 PHE F T T 3 TS+ 0 0 67.9 -15.0 -177.9 114.7 109.0 75.0 0 0.0 168 -0.5 0 0.0 0 0.0 15 66
43 A 45 ARG R S t < TS- 0 0 -86.2 163.3 177.7 -87.0 80.2 113.5 40 -0.8 0 0.0 0 0.0 0 0.0 12 49
44 A 46 LYS K - 0 0 -59.8 154.8 -179.7 -98.1 58.1 105.6 0 0.0 0 0.0 0 0.0 0 0.0 10 51
45 A 47 PRO P - 0 0 -78.6 154.4 177.9 -145.0 31.7 115.6 0 0.0 0 0.0 0 0.0 0 0.0 12 52
46 A 48 VAL V - 0 0 -120.6 137.1 179.7 -95.9 30.0 164.1 0 0.0 34 -2.9 0 0.0 0 0.0 6 41
47 A 49 PRO P - 0 0 -46.0 138.4 -179.4 -106.1 50.7 98.1 0 0.0 0 0.0 0 0.0 0 0.0 8 41
48 A 50 ALA A - 0 0 -70.1 154.2 179.5 -97.6 35.7 108.0 0 0.0 0 0.0 0 0.0 0 0.0 10 36
49 A 51 GLU E - 0 0 -75.6 128.7 -180.0 -106.9 44.6 126.1 0 0.0 0 0.0 0 0.0 0 0.0 7 25
50 A 52 PRO P - 0 0 -53.5 146.5 -176.8 -133.8 42.9 97.4 0 0.0 0 0.0 0 0.0 0 0.0 7 27
51 A 53 TRP W - 0 0 -108.0 172.4 178.4 -122.5 4.0 120.9 9 -2.6 0 0.0 0 0.0 0 0.0 8 27
52 A 54 HIS H S S S- 0 0 -112.0 144.4 179.6 -6.7 73.0 151.0 0 0.0 0 0.0 0 0.0 0 0.0 7 21
53 A 55 GLY G S S S- 0 0 70.8 -167.2 -179.3 -35.4 107.4 101.3 0 0.0 0 0.0 0 0.0 0 0.0 6 22
54 A 56 VAL V - 0 0 -94.6 137.3 -180.0 -132.8 59.1 139.6 0 0.0 0 0.0 0 0.0 0 0.0 9 29
55 A 57 LEU L E E Ab - 12 0 -92.7 133.7 -179.2 -115.0 22.6 138.9 11 -2.5 13 -2.5 0 0.0 57 -1.2 11 39
56 A 58 ASP D E E Ab + 13 0 -70.5 98.2 -179.8 171.0 40.4 122.3 0 0.0 0 0.0 0 0.0 0 0.0 9 37
57 A 59 ALA A e + 0 0 -106.4 56.0 -179.9 86.4 52.2 113.4 13 -2.4 28 -1.4 55 -1.2 0 0.0 13 48
58 A 60 THR T S S S+ 0 0 -125.5 -16.4 178.9 76.7 71.6 58.9 0 0.0 0 0.0 0 0.0 0 0.0 11 38
59 A 61 GLY G S S S- 0 0 -95.5 160.5 178.5 -103.5 86.7 125.9 0 0.0 0 0.0 0 0.0 0 0.0 7 37
60 A 62 LEU L - 0 0 -82.9 133.4 179.7 -123.2 37.5 132.9 0 0.0 0 0.0 0 0.0 0 0.0 8 45
61 A 63 SER S - 0 0 -66.7 171.6 179.2 -91.3 34.5 96.8 0 0.0 0 0.0 0 0.0 0 0.0 10 48
62 A 64 ALA A - 0 0 -76.7 171.9 177.6 -116.8 39.6 104.3 0 0.0 0 0.0 0 0.0 0 0.0 10 47
63 A 65 THR T B B a - 87 0 -113.7 141.6 -178.2 -97.3 34.8 157.8 86 -2.4 88 -1.4 0 0.0 0 0.0 16 60
64 A 66 CYS C - 0 0 -55.9 149.9 -178.5 -75.6 56.6 97.2 0 0.0 0 0.0 0 0.0 0 0.0 15 67
65 A 67 VAL V S S S+ 0 0 -50.4 130.8 -179.2 128.9 75.4 100.5 0 0.0 0 0.0 0 0.0 0 0.0 13 58
66 A 68 GLN Q - 0 0 -174.9 163.4 179.5 -101.0 51.7 163.7 0 0.0 0 0.0 0 0.0 0 0.0 10 54
67 A 69 GLU E - 0 0 -98.7 155.1 -179.9 -121.8 31.6 130.6 0 0.0 0 0.0 0 0.0 0 0.0 7 49
68 A 70 ARG R - 0 0 -93.0 153.3 176.8 -122.7 18.9 127.6 0 0.0 70 -0.8 0 0.0 0 0.0 6 42
69 A 71 TYR Y + 0 0 -97.0 112.7 -179.3 169.7 34.2 151.3 0 0.0 0 0.0 0 0.0 0 0.0 8 34
70 A 72 GLU E + 0 0 -114.4 37.6 179.7 125.7 32.5 101.0 68 -0.8 0 0.0 0 0.0 0 0.0 7 24
71 A 73 TYR Y S S S+ 0 0 -65.1 -30.9 179.5 33.1 84.8 35.1 0 0.0 0 0.0 0 0.0 0 0.0 5 29
72 A 74 PHE F S t > TS- 0 0 -125.6 73.6 -179.6 -149.4 91.6 130.7 0 0.0 75 -3.0 0 0.0 0 0.0 7 27
73 A 75 PRO P T T 3 TS+ 0 0 -46.9 130.0 179.0 9.6 81.2 97.4 0 0.0 0 0.0 0 0.0 0 0.0 5 17
74 A 76 GLY G T T 3 TS+ 0 0 80.4 -1.6 180.0 135.2 91.8 66.2 0 0.0 0 0.0 0 0.0 0 0.0 5 17
75 A 77 PHE F h > < T - 0 0 -79.6 140.6 179.6 -152.8 47.5 128.2 72 -3.0 79 -1.1 0 0.0 0 0.0 7 21
76 A 78 SER S H H > TS+ 0 0 -77.9 -40.8 179.9 65.6 89.4 23.6 0 0.0 80 -2.1 0 0.0 0 0.0 7 26
77 A 79 GLY G H H 4 TS+ 0 0 -45.5 -46.6 -179.7 37.9 108.4 32.6 0 0.0 0 0.0 0 0.0 0 0.0 8 42
78 A 80 GLU E H H 4 > TS+ 0 0 -76.9 -34.8 -178.0 56.6 113.6 34.2 0 0.0 81 -0.9 0 0.0 0 0.0 11 39
79 A 81 GLU E H H < > TS+ 0 0 -70.5 -34.6 -179.5 72.5 86.5 35.8 75 -1.1 82 -2.4 0 0.0 0 0.0 10 31
80 A 82 ILE I T h < 3 TS+ 0 0 -57.5 -10.2 -179.4 48.7 103.3 49.9 76 -2.1 0 0.0 0 0.0 0 0.0 7 41
81 A 83 TRP W T T < TS+ 0 0 -108.7 -3.2 178.6 92.5 92.7 63.5 78 -0.9 0 0.0 0 0.0 0 0.0 8 50
82 A 84 ASN N S t < TS- 0 0 -86.2 162.9 -179.9 -56.5 96.1 117.3 79 -2.4 0 0.0 0 0.0 0 0.0 9 42
83 A 85 PRO P - 0 0 -40.4 139.2 -178.9 -163.5 42.9 89.6 0 0.0 0 0.0 0 0.0 0 0.0 11 44
84 A 86 ASN N S S S+ 0 0 -96.0 -34.8 -179.5 24.4 71.4 40.7 0 0.0 0 0.0 0 0.0 0 0.0 8 40
85 A 87 THR T S S S- 0 0 -125.5 175.9 -180.0 -58.1 106.5 135.6 0 0.0 0 0.0 0 0.0 0 0.0 9 37
86 A 88 ASN N - 0 0 -54.5 145.6 179.8 -127.8 55.1 102.3 0 0.0 63 -2.4 0 0.0 88 -0.5 7 32
87 A 89 VAL V B B a + 63 0 -103.5 127.0 178.0 146.6 41.7 150.0 0 0.0 0 0.0 0 0.0 0 0.0 11 45
88 A 90 SER S - 0 0 -149.2 164.2 178.9 -111.3 59.5 164.8 63 -1.4 0 0.0 86 -0.5 0 0.0 9 47
89 A 91 GLU E S S S+ 0 0 -69.3 -20.6 179.1 80.2 106.9 41.7 0 0.0 91 -1.5 0 0.0 0 0.0 10 57
90 A 92 ASP D + 0 0 -86.8 88.2 -177.1 116.5 59.3 135.3 0 0.0 0 0.0 0 0.0 0 0.0 9 49
91 A 93 CYS C + 0 0 -136.1 -3.3 -178.3 123.5 20.8 66.8 89 -1.5 93 -1.9 0 0.0 0 0.0 14 59
92 A 94 LEU L e + 0 0 -69.8 84.1 179.6 136.8 42.1 115.7 0 0.0 32 -1.3 0 0.0 33 -0.6 16 66
93 A 95 TYR Y E E BD - 31 0 -132.8 152.3 179.8 -140.4 41.9 162.5 91 -1.9 143 -1.7 0 0.0 0 0.0 13 72
94 A 96 ILE I E E BDE - 30 142 -109.7 155.6 178.7 -158.3 6.3 139.5 30 -3.8 30 -2.6 0 0.0 29 -0.8 14 73
95 A 97 ASN N E E BDE - 28 141 -131.8 135.6 179.3 -169.4 9.0 174.1 141 -2.8 141 -2.1 0 0.0 0 0.0 12 71
96 A 98 VAL V E E BDE - 27 140 -133.5 131.8 178.9 -161.0 11.1 173.5 27 -3.1 27 -2.8 0 0.0 98 -0.6 11 79
97 A 99 TRP W E E BDE + 26 139 -110.2 112.7 -178.7 179.8 19.7 160.9 139 -2.5 139 -1.7 0 0.0 0 0.0 14 67
98 A 100 ALA A E E BD - 25 0 -121.6 125.5 179.5 -121.4 29.2 162.4 25 -2.8 25 -3.8 96 -0.6 0 0.0 13 62
99 A 101 PRO P E E BD 24 0 -58.1 146.0 -179.7 999.9 999.9 108.0 0 0.0 0 0.0 0 0.0 0 0.0 12 49
100!A 102 ALA A e 0 0 -59.3 999.9 999.9 999.9 999.9 113.6 23 -2.8 0 0.0 0 0.0 0 0.0 6 43
101!A 137 THR T 0 0 999.9 -24.9 -179.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 20
102 A 138 THR T + 0 0 -5.7 108.1 179.8 102.1 999.9 63.2 0 0.0 0 0.0 0 0.0 0 0.0 4 21
103 A 139 ASN N S S S+ 0 0 170.0 29.0 -179.0 13.3 92.9 84.9 0 0.0 0 0.0 0 0.0 0 0.0 5 21
104 A 140 GLY G S S S- 0 0 150.4 132.3 179.8 -95.8 91.5 114.3 0 0.0 0 0.0 0 0.0 0 0.0 11 32
105 A 141 LEU L E E Bf - 191 0 -62.4 159.4 179.7 -91.5 49.3 97.2 190 -3.4 192 -2.9 0 0.0 0 0.0 12 46
106 A 142 PRO P E E B* - 0 0 -72.7 149.6 -179.7 -142.3 39.0 118.9 0 0.0 138 -3.0 0 0.0 108 -0.5 12 56
107 A 143 ILE I E E Bfg - 196 138 -121.4 119.7 179.0 -170.2 14.0 162.9 195 -3.0 197 -2.2 0 0.0 109 -0.5 16 66
108 A 144 LEU L E E Bfg - 197 139 -109.1 125.0 -179.6 -161.3 6.2 157.7 138 -2.7 140 -3.0 106 -0.5 110 -0.5 13 83
109 A 145 ILE I E E Bfg - 198 140 -111.2 121.4 -179.5 -153.1 6.2 157.0 197 -2.2 199 -2.4 107 -0.5 0 0.0 12 81
110 A 146 TRP W E E Bfg - 199 141 -97.5 133.8 178.3 -168.5 8.1 138.8 140 -3.0 142 -0.6 108 -0.5 112 -0.5 12 79
111 A 147 ILE I E E Bf - 200 0 -119.4 111.9 -178.9 -140.2 20.2 163.5 199 -2.0 201 -0.8 0 0.0 0 0.0 15 76
112 A 148 TYR Y - 0 0 -69.1 161.8 178.9 -140.2 13.4 103.3 110 -0.5 0 0.0 0 0.0 0 0.0 13 76
113 A 149 GLY G + 0 0 -109.1 -170.9 -178.6 142.0 38.8 111.3 0 0.0 0 0.0 0 0.0 0 0.0 13 69
114 A 150 GLY G S t > > TS- 0 0 138.5 37.0 178.3 -72.8 82.9 57.9 0 0.0 118 -2.6 0 0.0 117 -1.8 10 70
115 A 151 GLY G T T 4 3 TS- 0 0 59.7 23.4 -179.4 -81.2 77.0 46.2 0 0.0 0 0.0 0 0.0 0 0.0 11 72
116 A 152 PHE F T T 4 3 TS+ 0 0 58.5 10.5 -179.4 82.2 130.6 52.9 0 0.0 147 -3.4 0 0.0 0 0.0 12 71
117 A 153 MET M T T 4 < TS+ 0 0 -110.5 -33.9 -177.4 7.4 99.5 46.7 114 -1.8 0 0.0 0 0.0 0 0.0 11 65
118 A 154 THR T t < T + 0 0 -138.9 -177.3 179.0 112.6 69.1 139.7 114 -2.6 0 0.0 0 0.0 0 0.0 11 65
119 A 155 GLY G - 0 0 122.7 152.5 -179.4 -151.8 29.6 106.7 0 0.0 0 0.0 0 0.0 0 0.0 13 67
120 A 156 SER S t > T - 0 0 -158.2 142.2 179.8 -141.0 21.9 167.3 0 0.0 123 -0.8 0 0.0 0 0.0 12 67
121 A 157 ALA A T T 3 TS+ 0 0 -83.2 2.4 -178.5 72.1 97.8 63.5 0 0.0 0 0.0 0 0.0 0 0.0 11 70
122 A 158 THR T T T 3 T + 0 0 -92.6 -13.3 -179.5 120.4 65.2 51.6 0 0.0 0 0.0 0 0.0 0 0.0 11 57
123 A 159 LEU L g X T - 0 0 -52.5 142.0 179.1 -126.6 69.8 100.9 120 -0.8 126 -1.4 0 0.0 0 0.0 11 52
124 A 160 ASP D G G > TS+ 0 0 -54.0 -49.0 -179.4 65.8 107.1 24.1 0 0.0 127 -3.5 0 0.0 0 0.0 5 48
125 A 161 ILE I G G 3 TS+ 0 0 -48.7 -24.7 179.6 53.7 99.6 45.2 0 0.0 0 0.0 0 0.0 0 0.0 8 52
126 A 162 TYR Y G G < TS+ 0 0 -94.7 4.1 179.5 133.7 74.4 68.4 123 -1.4 0 0.0 0 0.0 0 0.0 10 58
127 A 163 ASN N g < T - 0 0 -58.1 123.8 -179.0 -164.0 40.0 112.3 124 -3.5 0 0.0 0 0.0 0 0.0 9 61
128 A 164 ALA A h > T + 0 0 -98.5 21.2 179.2 108.9 56.6 85.1 0 0.0 132 -2.5 0 0.0 0 0.0 10 66
129 A 165 ASP D H H > TS+ 0 0 -58.2 -63.6 -179.2 40.6 84.1 5.7 0 0.0 133 -2.5 0 0.0 0 0.0 10 59
130 A 166 ILE I H H > TS+ 0 0 -51.9 -47.3 -178.7 51.3 115.9 26.4 0 0.0 134 -2.4 0 0.0 0 0.0 15 55
131 A 167 MET M H H > TS+ 0 0 -59.4 -50.4 -179.8 45.5 111.6 20.3 0 0.0 135 -2.1 0 0.0 0 0.0 13 65
132 A 168 ALA A H H X >TS+ 0 0 -56.3 -55.9 -178.9 39.6 120.8 13.8 128 -2.5 136 -1.7 0 0.0 137 -1.4 15 59
133 A 169 ALA A H H < 5TS+ 0 0 -56.9 -67.2 -179.4 39.3 120.7 13.9 129 -2.5 0 0.0 0 0.0 0 0.0 14 45
134 A 170 VAL V H H < 5TS+ 0 0 -55.3 -39.8 -179.7 35.6 127.5 35.1 130 -2.4 0 0.0 0 0.0 0 0.0 8 51
135 A 171 GLY G H H < 5TS- 0 0 -88.9 -19.8 -179.7 -135.9 102.2 48.1 131 -2.1 0 0.0 0 0.0 0 0.0 9 52
136 A 172 ASN N T h < 5T + 0 0 60.8 63.7 179.8 120.6 59.4 6.6 132 -1.7 0 0.0 0 0.0 0 0.0 9 52
137 A 173 VAL V t T + 0 0 -121.9 163.5 -178.9 15.7 45.2 144.8 0 0.0 149 -0.7 0 0.0 0 0.0 16 71
147 A 183 GLY G T h > > TS- 0 0 71.5 -163.9 -179.9 -26.8 123.6 104.5 116 -3.4 151 -2.0 0 0.0 150 -1.7 15 72
148 A 184 ALA A H H > 3 TS+ 0 0 -55.4 -25.5 180.0 68.0 135.2 39.7 0 0.0 152 -1.2 0 0.0 0 0.0 13 76
149 A 185 PHE F H H 4 < TS+ 0 0 -64.1 -35.3 -179.3 25.4 114.4 30.1 146 -0.7 0 0.0 0 0.0 0 0.0 11 77
150 A 186 GLY G H H 4 < TS+ 0 0 -105.4 -11.2 -177.7 34.0 133.3 54.0 147 -1.7 171 -2.4 0 0.0 170 -0.6 14 76
151 A 187 PHE F H H < T + 0 0 -134.7 27.8 179.8 140.7 65.8 82.6 147 -2.0 153 -0.6 0 0.0 0 0.0 16 76
152 A 188 LEU L h < T - 0 0 -75.2 117.1 -178.5 -169.5 31.5 128.5 148 -1.2 154 -0.5 0 0.0 0 0.0 15 76
153 A 189 HIS H + 0 0 -115.1 112.4 -179.8 128.9 35.5 161.2 151 -0.6 0 0.0 0 0.0 0 0.0 14 66
154 A 190 LEU L g > > T + 0 0 -138.3 -4.7 -179.5 111.9 35.2 69.5 166 -2.0 157 -1.7 152 -0.5 158 -0.6 14 66
155 A 191 ALA A G G 4 > TS+ 0 0 -41.2 -47.5 -179.9 56.5 76.5 33.6 166 -1.5 158 -1.4 0 0.0 0 0.0 14 51
156 A 192 PRO P G G 4 3 TS+ 0 0 -58.6 -33.9 -179.5 56.2 101.8 35.2 0 0.0 0 0.0 0 0.0 0 0.0 9 41
157 A 193 GLU E G G 4 < TS+ 0 0 -76.5 -9.1 -178.1 60.7 105.8 56.6 154 -1.7 0 0.0 0 0.0 0 0.0 8 41
158 A 194 MET M S g < < TS- 0 0 -116.7 171.4 179.6 -90.6 92.5 132.3 155 -1.4 0 0.0 154 -0.6 0 0.0 12 37
159 A 195 PRO P g > T - 0 0 -79.7 154.1 -179.6 -103.0 43.8 119.2 0 0.0 162 -2.4 0 0.0 0 0.0 9 25
160 A 196 SER S G G > TS+ 0 0 -41.5 -39.8 179.8 70.2 117.9 38.0 0 0.0 163 -2.3 0 0.0 0 0.0 6 21
161 A 197 GLU E G G 3 TS+ 0 0 -48.1 -43.3 -177.1 40.1 105.0 27.6 0 0.0 0 0.0 0 0.0 0 0.0 6 21
162 A 198 PHE F G G X TS+ 0 0 -96.8 19.5 -179.2 118.1 78.4 82.2 159 -2.4 165 -2.1 0 0.0 0 0.0 10 32
163 A 199 ALA A T g < TS+ 0 0 -54.5 -36.4 -178.6 54.0 73.8 35.0 160 -2.3 0 0.0 0 0.0 0 0.0 11 33
164 A 200 GLU E T T 3 TS+ 0 0 -83.8 10.7 -178.7 87.0 88.4 71.4 0 0.0 0 0.0 0 0.0 0 0.0 9 38
165 A 201 GLU E S t < TS- 0 0 -76.1 -48.1 178.8 -7.0 114.7 22.3 162 -2.1 0 0.0 0 0.0 0 0.0 10 50
166 A 202 ALA A S S S+ 0 0 -148.0 64.2 -179.9 160.2 74.0 117.1 0 0.0 154 -2.0 0 0.0 155 -1.5 11 65
167 A 203 PRO P - 0 0 -56.0 -38.2 -178.3 -139.9 43.7 31.5 0 0.0 0 0.0 0 0.0 0 0.0 15 53
168 A 204 GLY G S S S+ 0 0 95.5 169.6 179.8 68.5 76.5 102.2 42 -0.5 0 0.0 0 0.0 0 0.0 15 63
169 A 205 ASN N h > > T + 0 0 56.8 19.7 -178.5 140.6 56.8 45.8 0 0.0 173 -1.6 0 0.0 172 -1.2 14 69
170 A 206 VAL V H H > 3 T + 0 0 -65.7 -19.6 178.1 64.1 65.2 38.8 150 -0.6 174 -2.3 0 0.0 0 0.0 14 65
171 A 207 GLY G H H > 3 TS+ 0 0 -68.2 -33.0 178.4 47.3 103.1 31.7 150 -2.4 175 -1.6 0 0.0 0 0.0 13 78
172 A 208 LEU L H H > < TS+ 0 0 -75.5 -33.8 178.7 54.4 108.7 33.4 169 -1.2 176 -2.4 0 0.0 0 0.0 13 78
173 A 209 TRP W H H X TS+ 0 0 -66.6 -36.5 177.4 54.9 104.9 27.4 169 -1.6 177 -2.3 0 0.0 0 0.0 10 66
174 A 210 ASP D H H X TS+ 0 0 -57.0 -52.8 -179.3 47.7 108.7 14.4 170 -2.3 178 -2.5 0 0.0 0 0.0 13 69
175 A 211 GLN Q H H X TS+ 0 0 -54.2 -47.7 -179.9 52.3 110.3 23.0 171 -1.6 179 -2.4 0 0.0 0 0.0 11 76
176 A 212 ALA A H H X TS+ 0 0 -57.7 -39.5 -179.0 48.6 110.0 30.3 172 -2.4 180 -1.8 0 0.0 0 0.0 10 61
177 A 213 LEU L H H X TS+ 0 0 -68.6 -43.9 179.3 50.4 110.2 23.6 173 -2.3 181 -2.8 0 0.0 0 0.0 11 61
178 A 214 ALA A H H X TS+ 0 0 -60.0 -42.3 -180.0 48.8 111.7 25.6 174 -2.5 182 -2.5 0 0.0 0 0.0 11 66
179 A 215 ILE I H H X TS+ 0 0 -66.7 -36.7 179.4 48.9 112.0 28.6 175 -2.4 183 -2.0 0 0.0 0 0.0 9 69
180 A 216 ARG R H H X TS+ 0 0 -68.3 -40.5 -179.5 52.2 109.6 24.0 176 -1.8 184 -1.8 0 0.0 0 0.0 8 59
181 A 217 TRP W H H X TS+ 0 0 -59.9 -47.1 -179.7 48.2 110.2 21.3 177 -2.8 185 -1.8 0 0.0 0 0.0 9 57
182 A 218 LEU L H H < TS+ 0 0 -62.6 -37.9 179.7 54.9 107.7 28.2 178 -2.5 0 0.0 0 0.0 0 0.0 9 65
183 A 219 LYS K H H < TS+ 0 0 -64.6 -31.4 179.9 48.8 109.5 30.2 179 -2.0 0 0.0 0 0.0 0 0.0 8 50
184 A 220 ASP D H H < TS+ 0 0 -76.4 -31.8 -179.1 37.5 118.5 35.0 180 -1.8 0 0.0 0 0.0 0 0.0 9 42
185 A 221 ASN N S h X TS+ 0 0 -106.8 19.5 179.8 108.9 81.8 80.4 181 -1.8 189 -0.8 0 0.0 0 0.0 11 50
186 A 222 ALA A T g 4 >>TS+ 0 0 -57.8 -56.9 -179.9 41.3 85.2 13.1 0 0.0 191 -2.9 0 0.0 189 -1.6 12 49
187 A 223 HIS H G G 4 >5TS+ 0 0 -58.3 -42.0 -179.7 66.1 105.0 25.3 0 0.0 190 -2.2 0 0.0 0 0.0 10 39
188 A 224 ALA A G G 4 35TS+ 0 0 -53.3 -22.1 -179.5 39.1 109.3 43.9 0 0.0 0 0.0 0 0.0 0 0.0 9 46
189 A 225 PHE F G G < <5TS- 0 0 -110.2 3.6 180.0 -93.6 127.2 68.4 186 -1.6 0 0.0 185 -0.8 0 0.0 9 57
190 A 226 GLY G T e <5TS+ 0 0 95.9 9.2 -179.1 131.5 85.6 58.1 187 -2.2 105 -3.4 0 0.0 0 0.0 10 44
191 A 227 GLY G E E Bf T - 0 0 -107.2 105.4 179.9 -148.2 15.3 153.5 105 -2.9 195 -3.1 0 0.0 0 0.0 13 40
193 A 229 PRO P E E B* 3 TS+ 0 0 -38.8 -37.8 -179.4 51.4 97.0 44.4 0 0.0 0 0.0 0 0.0 0 0.0 13 44
194 A 230 GLU E E E B* 3 TS+ 0 0 -84.7 -5.0 -178.7 71.3 96.7 59.1 0 0.0 0 0.0 0 0.0 0 0.0 5 44
195 A 231 TRP W E E B* < TS+ 0 0 -108.2 53.8 -179.3 133.1 71.0 112.9 192 -3.1 107 -3.0 0 0.0 0 0.0 12 50
196 A 232 MET M E E Bf - 107 0 -108.7 143.3 177.0 -177.8 29.7 145.6 0 0.0 0 0.0 0 0.0 0 0.0 13 69
197 A 233 THR T E E Bf - 108 0 -138.1 138.1 -180.0 -141.7 16.5 178.0 107 -2.2 109 -2.2 0 0.0 0 0.0 13 73
198 A 234 LEU L E E Bfh + 109 224 -98.4 145.2 175.8 176.1 21.9 139.0 223 -2.3 225 -2.9 0 0.0 0 0.0 13 78
199 A 235 PHE F E E Bfh + 110 225 -149.7 147.8 -179.7 143.0 8.8 175.0 109 -2.4 111 -2.0 0 0.0 0 0.0 15 78
200 A 236 GLY G E E Bfh - 111 226 -168.3 171.8 -179.4 -129.4 31.8 167.8 225 -1.8 227 -2.7 0 0.0 0 0.0 17 74
201 A 237 GLU E E E B h> TS- 0 227 -132.9 146.9 176.1 -10.6 71.0 164.0 111 -0.8 204 -1.7 0 0.0 0 0.0 16 68
202 A 238 SER S T h > > TS- 0 0 68.9 -142.9 178.1 -6.1 139.0 110.5 227 -2.6 206 -2.5 0 0.0 205 -1.2 15 68
203 A 239 ALA A H H > 3 TS+ 0 0 -55.4 -30.8 178.2 60.5 138.6 33.3 0 0.0 207 -2.4 0 0.0 0 0.0 14 70
204 A 240 GLY G H H > < TS+ 0 0 -64.5 -32.7 179.2 47.1 105.6 31.4 201 -1.7 208 -1.7 0 0.0 0 0.0 15 74
205 A 241 SER S H H > < TS+ 0 0 -73.2 -48.4 178.6 51.3 109.5 20.1 202 -1.2 209 -2.2 0 0.0 0 0.0 19 70
206 A 242 SER S H H X TS+ 0 0 -54.5 -37.8 -179.6 54.0 109.3 27.0 202 -2.5 210 -2.7 0 0.0 0 0.0 15 72
207 A 243 SER S H H X TS+ 0 0 -63.0 -45.7 178.9 53.0 102.9 23.3 203 -2.4 211 -3.6 0 0.0 0 0.0 12 79
208 A 244 VAL V H H X TS+ 0 0 -55.0 -41.0 179.2 50.9 110.8 23.3 204 -1.7 212 -2.0 0 0.0 0 0.0 15 78
209 A 245 ASN N H H X TS+ 0 0 -60.1 -51.0 -179.5 46.7 111.1 17.4 205 -2.2 213 -2.1 0 0.0 0 0.0 12 80
210 A 246 ALA A H H X TS+ 0 0 -60.3 -43.7 -179.2 49.6 112.1 25.0 206 -2.7 214 -2.6 0 0.0 0 0.0 10 77
211 A 247 GLN Q H H < TS+ 0 0 -68.1 -30.4 -179.3 48.5 111.6 33.6 207 -3.6 0 0.0 0 0.0 0 0.0 11 67
212 A 248 LEU L H H < TS+ 0 0 -77.3 -33.9 -178.2 31.4 123.3 30.2 208 -2.0 0 0.0 0 0.0 0 0.0 13 63
213 A 249 MET M H H < TS+ 0 0 -99.9 -15.9 -179.8 113.9 87.6 51.0 209 -2.1 0 0.0 0 0.0 0 0.0 8 62
214 A 250 SER S h X T - 0 0 -56.1 147.2 178.5 -138.3 63.0 99.7 210 -2.6 218 -2.7 0 0.0 0 0.0 11 55
215 A 251 PRO P T T 4 TS+ 0 0 -65.7 -53.5 -179.9 59.0 105.0 18.7 0 0.0 0 0.0 0 0.0 0 0.0 9 36
216 A 252 VAL V T T 4 TS+ 0 0 -46.2 -30.0 -177.6 16.9 125.5 45.6 0 0.0 0 0.0 0 0.0 0 0.0 6 37
217 A 253 THR T T T 4 > TS+ 0 0 -122.3 -23.3 179.9 134.9 84.8 51.9 0 0.0 220 -1.8 0 0.0 0 0.0 10 40
218 A 254 ARG R T T < 3 TS+ 0 0 -33.5 122.6 179.9 30.3 72.6 88.5 214 -2.7 0 0.0 0 0.0 0 0.0 10 43
219 A 255 GLY G T T 3 TS+ 0 0 121.2 -55.6 -179.6 90.8 90.2 112.6 0 0.0 0 0.0 0 0.0 0 0.0 6 35
220 A 256 LEU L S t < TS+ 0 0 -41.6 -44.9 -179.2 17.7 100.8 35.5 217 -1.8 0 0.0 0 0.0 0 0.0 6 43
221 A 257 VAL V + 0 0 -138.2 137.8 -179.1 171.7 51.1 176.8 0 0.0 0 0.0 0 0.0 0 0.0 11 58
222 A 258 LYS K e + 0 0 -129.6 19.7 179.8 74.9 64.6 84.8 0 0.0 322 -2.6 0 0.0 0 0.0 10 55
223 A 259 ARG R E E B i + 0 322 -137.3 121.4 -178.9 154.1 58.3 168.2 0 0.0 198 -2.3 0 0.0 0 0.0 12 62
224 A 260 GLY G E E Bhi - 198 323 -153.9 153.0 179.8 -143.2 35.8 178.0 322 -2.5 324 -2.6 0 0.0 226 -0.6 14 75
225 A 261 MET M E E Bhi - 199 324 -117.1 117.2 179.1 -168.7 17.2 163.6 198 -2.9 200 -1.8 0 0.0 227 -0.6 13 75
226 A 262 MET M E E Bhi - 200 325 -110.4 109.0 -179.5 -164.7 3.3 157.2 324 -2.0 326 -1.4 224 -0.6 228 -0.7 18 76
227 A 263 GLN Q E E Bhi S- 201 326 -96.0 113.7 179.6 -32.7 71.1 146.8 200 -2.7 202 -2.6 225 -0.6 0 0.0 12 79
228 A 264 SER S S e S+ 0 0 43.4 54.2 179.7 97.8 115.4 27.3 326 -2.5 0 0.0 226 -0.7 0 0.0 16 72
229 A 265 GLY G + 0 0 -173.2 113.1 179.1 159.9 36.4 132.4 0 0.0 0 0.0 0 0.0 0 0.0 15 70
230 A 266 THR T t > T - 0 0 -137.6 140.3 179.9 -122.7 43.0 176.1 0 0.0 233 -2.2 0 0.0 0 0.0 14 72
231 A 267 MET M T T 3 TS+ 0 0 -49.8 -34.4 179.2 62.9 109.1 41.9 0 0.0 0 0.0 0 0.0 0 0.0 12 68
232 A 268 ASN N T T 3 TS+ 0 0 -68.0 -18.1 178.9 109.7 79.6 44.6 0 0.0 0 0.0 0 0.0 0 0.0 12 58
233 A 269 ALA A S g X TS- 0 0 -56.3 143.8 -179.9 -118.6 82.2 105.0 230 -2.2 236 -1.4 0 0.0 0 0.0 12 60
234 A 270 PRO P G G > TS+ 0 0 -54.9 -39.7 -179.5 48.0 111.7 30.8 0 0.0 237 -0.7 0 0.0 0 0.0 8 54
235 A 271 TRP W G G 3 TS+ 0 0 -79.9 -6.1 -175.8 66.9 102.7 56.5 0 0.0 0 0.0 0 0.0 0 0.0 11 61
236 A 272 SER S G G < TS+ 0 0 -98.7 -0.2 177.9 38.3 99.2 65.7 233 -1.4 0 0.0 0 0.0 0 0.0 13 63
237 A 273 HIS H g < T - 0 0 -145.4 164.1 -178.2 -171.6 56.7 164.6 234 -0.7 0 0.0 0 0.0 0 0.0 13 64
238 A 274 MET M B B b - 299 0 -159.2 140.1 179.6 -109.7 26.5 165.9 298 -1.3 300 -2.2 0 0.0 0 0.0 11 55
239 A 275 THR T h > T - 0 0 -63.9 164.2 178.4 -117.5 30.1 98.9 0 0.0 243 -1.4 0 0.0 0 0.0 8 44
240 A 276 SER S H H > TS+ 0 0 -68.7 -40.6 -179.4 54.9 114.7 23.5 0 0.0 244 -2.1 0 0.0 0 0.0 11 40
241 A 277 GLU E H H > TS+ 0 0 -56.3 -56.9 -179.4 46.6 106.6 20.0 0 0.0 245 -2.3 0 0.0 0 0.0 6 32
242 A 278 LYS K H H > TS+ 0 0 -56.8 -37.1 179.8 52.8 112.6 29.6 0 0.0 246 -2.7 0 0.0 0 0.0 8 39
243 A 279 ALA A H H X TS+ 0 0 -67.9 -38.3 179.0 50.1 107.2 30.2 239 -1.4 247 -2.7 0 0.0 0 0.0 15 53
244 A 280 VAL V H H X TS+ 0 0 -66.4 -40.0 179.1 49.5 112.1 24.8 240 -2.1 248 -2.8 0 0.0 0 0.0 12 50
245 A 281 GLU E H H X TS+ 0 0 -60.1 -58.3 179.6 42.8 114.3 10.8 241 -2.3 249 -2.3 0 0.0 0 0.0 8 43
246 A 282 ILE I H H X TS+ 0 0 -55.7 -38.8 178.9 54.7 113.8 29.2 242 -2.7 250 -2.1 0 0.0 0 0.0 10 54
247 A 283 GLY G H H X TS+ 0 0 -60.5 -50.6 179.5 47.3 107.6 19.4 243 -2.7 251 -1.9 0 0.0 0 0.0 12 65
248 A 284 LYS K H H X TS+ 0 0 -58.0 -43.5 179.7 56.8 107.8 27.6 244 -2.8 252 -2.6 0 0.0 0 0.0 10 51
249 A 285 ALA A H H X TS+ 0 0 -53.3 -53.5 179.2 49.5 106.3 15.9 245 -2.3 253 -3.3 0 0.0 0 0.0 10 44
250 A 286 LEU L H H X TS+ 0 0 -51.5 -44.3 179.1 55.8 108.6 25.5 246 -2.1 254 -0.9 0 0.0 0 0.0 12 54
251 A 287 ILE I H H < >>TS+ 0 0 -52.3 -63.9 -179.7 38.3 112.7 12.9 247 -1.9 254 -1.7 0 0.0 256 -0.6 13 57
252 A 288 ASN N H H < >5TS+ 0 0 -57.1 -42.4 179.0 60.2 110.6 26.4 248 -2.6 255 -1.9 0 0.0 0 0.0 10 38
253 A 289 ASP D H H < 35TS+ 0 0 -58.9 -17.3 -178.7 50.5 106.0 45.7 249 -3.3 0 0.0 0 0.0 0 0.0 8 38
254 A 290 CYS C T h < <5TS- 0 0 -102.9 3.4 179.7 -102.9 122.5 70.7 251 -1.7 0 0.0 250 -0.9 0 0.0 11 39
255 A 291 ASN N T T <5TS+ 0 0 101.8 -36.7 178.8 116.4 86.6 103.6 252 -1.9 0 0.0 0 0.0 0 0.0 6 31
256 A 292 CYS C S t T - 0 0 -86.2 106.4 -178.1 -158.4 18.3 132.2 0 0.0 260 -2.3 0 0.0 0 0.0 9 32
258 A 294 ALA A G G > TS+ 0 0 -52.7 -22.0 -179.2 76.2 84.7 47.0 256 -1.0 261 -1.5 0 0.0 0 0.0 10 38
259 A 295 SER S G G > TS+ 0 0 -64.4 -28.2 -179.6 59.4 86.8 37.0 0 0.0 262 -0.6 0 0.0 0 0.0 5 31
260 A 296 MET M G G > < TS+ 0 0 -79.8 -1.0 -179.8 101.1 74.3 61.6 257 -2.3 264 -2.0 0 0.0 0 0.0 10 32
261 A 297 LEU L G G 4 < TS+ 0 0 -50.1 -43.0 -179.2 40.9 86.7 30.9 258 -1.5 0 0.0 0 0.0 0 0.0 11 42
262 A 298 LYS K T g 4 < TS+ 0 0 -74.3 -46.7 -179.3 36.1 123.0 23.3 259 -0.6 0 0.0 0 0.0 0 0.0 9 31
263 A 299 THR T T T 4 TS+ 0 0 -71.6 -61.1 180.0 16.0 135.4 10.7 0 0.0 0 0.0 0 0.0 0 0.0 5 23
264 A 300 ASN N h X > T + 0 0 -117.9 75.2 180.0 162.5 68.8 131.3 260 -2.0 268 -1.3 0 0.0 267 -0.5 8 27
265 A 301 PRO P H H > 3 TS+ 0 0 -53.8 -61.1 -179.0 55.4 74.9 14.6 0 0.0 269 -2.0 0 0.0 0 0.0 11 38
266 A 302 ALA A H H > 3 TS+ 0 0 -44.5 -33.2 -178.0 55.7 105.5 40.4 0 0.0 270 -1.6 0 0.0 0 0.0 7 37
267 A 303 HIS H H H > < TS+ 0 0 -71.7 -50.4 -179.4 42.1 107.5 19.6 264 -0.5 271 -1.4 0 0.0 0 0.0 8 33
268 A 304 VAL V H H X TS+ 0 0 -66.0 -35.2 179.0 52.4 115.4 29.3 264 -1.3 272 -2.8 0 0.0 0 0.0 14 42
269 A 305 MET M H H X TS+ 0 0 -65.6 -41.2 178.7 52.6 106.6 24.6 265 -2.0 273 -2.1 0 0.0 0 0.0 9 57
270 A 306 SER S H H < TS+ 0 0 -61.7 -31.1 179.3 49.3 110.8 33.9 266 -1.6 0 0.0 0 0.0 0 0.0 8 38
271 A 307 CYS C H H X > TS+ 0 0 -71.5 -48.4 -179.7 50.6 109.3 20.3 267 -1.4 274 -1.9 0 0.0 275 -1.3 9 37
272 A 308 MET M H H < 3 TS+ 0 0 -60.9 -31.8 179.0 52.9 107.4 38.2 268 -2.8 0 0.0 0 0.0 0 0.0 10 53
273 A 309 ARG R T h < 3 TS+ 0 0 -85.3 7.3 -179.5 55.4 108.9 68.1 269 -2.1 0 0.0 0 0.0 0 0.0 9 44
274 A 310 SER S T T 4 < TS+ 0 0 -107.8 -31.9 179.6 90.4 83.2 43.5 271 -1.9 0 0.0 0 0.0 0 0.0 7 32
275 A 311 VAL V S t < TS- 0 0 -66.7 149.0 -179.8 -92.9 90.5 110.3 271 -1.3 0 0.0 0 0.0 0 0.0 9 36
276 A 312 ASP D h > > T - 0 0 -64.4 140.9 179.5 -121.5 27.2 110.7 0 0.0 280 -1.5 0 0.0 279 -1.4 6 37
277 A 313 ALA A H H > 3 TS+ 0 0 -48.7 -41.9 -179.9 59.0 113.7 29.5 0 0.0 281 -3.3 0 0.0 0 0.0 8 48
278 A 314 LYS K H H > 3 TS+ 0 0 -59.2 -33.9 179.9 54.3 101.4 33.5 0 0.0 282 -1.8 0 0.0 0 0.0 7 38
279 A 315 THR T H H > < TS+ 0 0 -65.2 -49.7 179.0 40.8 113.5 17.0 276 -1.4 283 -2.9 0 0.0 0 0.0 9 34
280 A 316 ILE I H H X TS+ 0 0 -62.0 -45.9 -179.8 61.0 109.7 21.9 276 -1.5 284 -2.0 0 0.0 0 0.0 12 53
281 A 317 SER S H H < TS+ 0 0 -49.0 -42.5 -179.6 30.3 117.0 29.5 277 -3.3 0 0.0 0 0.0 0 0.0 13 51
282 A 318 VAL V H H < > TS+ 0 0 -84.7 -55.7 -178.8 53.6 115.8 18.5 278 -1.8 285 -1.7 0 0.0 0 0.0 9 40
283 A 319 GLN Q H H < > TS+ 0 0 -54.8 -23.7 -179.4 68.7 96.9 45.2 279 -2.9 286 -1.1 0 0.0 0 0.0 10 38
284 A 320 GLN Q G h < > TS+ 0 0 -65.5 -33.5 -179.3 64.4 90.1 29.4 280 -2.0 287 -1.5 0 0.0 0 0.0 11 52
285 A 321 TRP W G G X TS+ 0 0 -65.1 -15.6 179.6 82.1 77.5 50.1 282 -1.7 288 -2.1 0 0.0 0 0.0 8 47
286 A 322 ASN N G G < TS+ 0 0 -58.8 -29.1 -179.5 63.6 84.6 32.0 283 -1.1 0 0.0 0 0.0 0 0.0 7 33
287 A 323 SER S G G < TS+ 0 0 -79.0 13.4 178.9 115.6 70.9 75.1 284 -1.5 289 -1.3 0 0.0 0 0.0 10 41
288 A 324 TYR Y g < T + 0 0 -87.1 94.1 -177.9 160.5 36.2 134.8 285 -2.1 0 0.0 0 0.0 0 0.0 8 38
289 A 325 SER S + 0 0 -77.8 -82.0 180.0 4.7 50.6 10.7 287 -1.3 0 0.0 293 -0.5 0 0.0 7 32
290 A 326 GLY G S t > TS- 0 0 -101.5 -175.7 -179.5 -64.6 92.6 111.6 0 0.0 293 -0.9 0 0.0 0 0.0 6 33
291 A 327 ILE I T T 3 TS+ 0 0 -71.8 134.0 -179.7 6.0 117.1 118.7 0 0.0 0 0.0 0 0.0 0 0.0 8 45
292 A 328 LEU L T T 3 TS+ 0 0 59.5 41.1 179.0 111.9 100.3 31.5 0 0.0 0 0.0 0 0.0 0 0.0 7 57
293 A 329 SER S t < T - 0 0 -143.7 80.2 -177.8 -176.5 47.2 131.9 290 -0.9 289 -0.5 0 0.0 0 0.0 9 50
294 A 330 PHE F - 0 0 -82.0 155.0 -179.9 -116.4 36.3 112.3 0 0.0 0 0.0 0 0.0 0 0.0 12 54
295 A 331 PRO P S S S+ 0 0 -56.0 -40.5 -179.6 49.6 98.6 32.6 0 0.0 0 0.0 0 0.0 0 0.0 13 59
296 A 332 SER S + 0 0 -107.7 149.1 178.8 131.9 64.2 143.9 0 0.0 0 0.0 0 0.0 0 0.0 13 72
297 A 333 ALA A - 0 0 -178.3 164.4 179.5 -51.8 66.8 159.2 0 0.0 0 0.0 0 0.0 0 0.0 13 70
298 A 334 PRO P - 0 0 -54.2 121.0 -178.0 -149.1 63.7 110.2 0 0.0 238 -1.3 0 0.0 0 0.0 11 75
299 A 335 THR T B B b - 238 0 -101.6 133.6 177.9 -118.9 16.2 144.1 0 0.0 301 -0.8 0 0.0 0 0.0 14 65
300 A 336 ILE I + 0 0 -69.9 106.8 -176.4 154.0 49.7 126.0 238 -2.2 0 0.0 0 0.0 0 0.0 14 53
301 A 337 ASP D - 0 0 -122.9 12.8 179.9 -118.0 59.1 80.8 299 -0.8 0 0.0 305 -0.7 0 0.0 11 48
302 A 338 GLY G S S S+ 0 0 52.9 23.7 -179.4 72.5 103.9 40.2 305 -1.6 0 0.0 0 0.0 0 0.0 7 37
303 A 339 ALA A S S S+ 0 0 -126.0 -86.7 179.5 0.8 114.4 61.5 0 0.0 0 0.0 0 0.0 0 0.0 8 41
304 A 340 PHE F S S S+ 0 0 -76.5 -39.7 178.9 33.6 147.7 29.7 0 0.0 0 0.0 0 0.0 0 0.0 11 51
305 A 341 LEU L S S S+ 0 0 -116.2 80.1 -179.8 174.8 74.2 141.2 0 0.0 302 -1.6 0 0.0 301 -0.7 13 49
306 A 342 PRO P - 0 0 -52.2 -64.2 -179.6 -2.5 64.7 14.4 0 0.0 0 0.0 0 0.0 0 0.0 11 38
307 A 343 ALA A S S S- 0 0 -114.3 -159.4 -179.4 -53.7 99.3 107.2 0 0.0 0 0.0 0 0.0 0 0.0 9 33
308 A 344 ASP D t > > T - 0 0 -83.3 137.6 -179.7 -106.9 55.2 128.7 0 0.0 311 -3.2 0 0.0 312 -0.5 9 39
309 A 345 PRO P T T 4 3 TS+ 0 0 -40.0 -8.7 178.8 42.9 120.9 61.1 0 0.0 0 0.0 0 0.0 0 0.0 9 51
310 A 346 MET M T T > 3 TS+ 0 0 -115.3 -14.7 179.4 55.6 108.3 57.3 0 0.0 314 -0.7 0 0.0 0 0.0 7 42
311 A 347 THR T T T 4 < TS+ 0 0 -101.6 12.8 178.4 58.5 102.6 79.3 308 -3.2 0 0.0 0 0.0 0 0.0 7 28
312 A 348 LEU L T g < > TS+ 0 0 -107.9 -30.7 -179.6 51.9 102.6 50.7 308 -0.5 315 -0.6 0 0.0 0 0.0 10 38
313 A 349 MET M G G 4 > TS+ 0 0 -70.8 -42.5 178.2 92.9 85.0 28.9 0 0.0 316 -1.8 0 0.0 0 0.0 10 38
314 A 350 LYS K G G < 3 TS+ 0 0 -19.9 -37.4 -175.0 15.8 101.0 53.8 310 -0.7 0 0.0 0 0.0 0 0.0 6 26
315 A 351 THR T G G < TS+ 0 0 -135.4 8.2 -178.8 107.0 93.4 67.3 312 -0.6 0 0.0 0 0.0 0 0.0 6 24
316 A 352 ALA A g < T - 0 0 -91.8 148.7 177.1 -140.6 55.4 128.6 313 -1.8 318 -0.8 0 0.0 0 0.0 7 32
317 A 353 ASP D g > T - 0 0 -111.2 103.1 -178.4 -172.4 13.2 151.6 0 0.0 320 -0.5 0 0.0 0 0.0 8 29
318 A 354 LEU L G G > T + 0 0 -82.8 34.2 179.6 132.0 40.5 94.0 418 -2.0 321 -1.7 316 -0.8 0 0.0 9 39
319 A 355 LYS K G G 3 TS+ 0 0 -54.7 -35.1 -178.3 44.9 75.9 32.9 0 0.0 0 0.0 0 0.0 0 0.0 8 29
320 A 356 ASP D G G < TS+ 0 0 -93.0 4.1 -179.0 103.6 94.6 67.8 317 -0.5 0 0.0 0 0.0 0 0.0 9 32
321 A 357 TYR Y e < T - 0 0 -96.9 141.0 178.0 -161.5 50.4 134.8 318 -1.7 421 -3.0 0 0.0 323 -0.5 10 54
322 A 358 ASP D E E Bij - 223 421 -117.3 117.6 -178.8 -175.1 14.7 165.6 222 -2.6 224 -2.5 0 0.0 0 0.0 12 60
323 A 359 ILE I E E Bij - 224 422 -121.0 133.1 176.0 -173.4 14.4 162.2 421 -2.6 423 -2.4 321 -0.5 0 0.0 13 72
324 A 360 LEU L E E Bij + 225 423 -119.6 118.9 -178.8 152.7 27.6 172.5 224 -2.6 226 -2.0 0 0.0 0 0.0 14 79
325 A 361 MET M E E Bij + 226 424 -146.8 162.5 -179.8 136.3 6.3 165.5 423 -2.7 425 -1.4 0 0.0 0 0.0 14 79
326 A 362 GLY G E E Bij - 227 425 -177.0 -167.5 -178.6 -112.8 31.2 164.5 226 -1.4 228 -2.5 0 0.0 0 0.0 14 84
327 A 363 ASN N E E B j - 0 426 -143.7 170.1 176.1 -115.1 22.0 151.5 425 -1.4 427 -2.8 0 0.0 0 0.0 13 76
328 A 364 VAL V E E B j> T - 0 427 -107.1 159.9 -177.9 -107.3 36.8 139.7 0 0.0 331 -0.7 0 0.0 0 0.0 15 64
329 A 365 ARG R T e 3 TS+ 0 0 -56.3 -35.9 -177.8 29.2 110.2 35.1 427 -2.3 0 0.0 0 0.0 0 0.0 11 58
330 A 366 ASP D B B c 3 T + 443 0 -130.4 68.5 -180.0 154.9 63.0 120.4 442 -2.1 444 -0.7 0 0.0 0 0.0 13 57
331 A 367 GLU E S t < TS+ 0 0 -58.1 -44.0 -177.3 48.5 75.9 26.2 328 -0.7 0 0.0 0 0.0 0 0.0 18 66
332 A 368 GLY G S h > TS+ 0 0 -75.2 -24.3 -178.1 82.7 85.8 43.8 0 0.0 336 -2.4 0 0.0 0 0.0 16 62
333 A 369 THR T H H > TS+ 0 0 -45.8 -59.1 -179.7 50.2 91.3 23.6 0 0.0 337 -2.6 0 0.0 0 0.0 14 60
334 A 370 TYR Y H H > TS+ 0 0 -45.2 -60.1 -179.1 43.8 114.3 21.3 0 0.0 338 -1.9 0 0.0 0 0.0 10 59
335 A 371 PHE F H H > TS+ 0 0 -58.8 -35.7 178.9 55.3 110.4 34.4 0 0.0 339 -2.0 0 0.0 0 0.0 9 60
336 A 372 LEU L H H X TS+ 0 0 -63.7 -46.1 179.9 52.4 106.2 19.2 332 -2.4 340 -1.4 0 0.0 0 0.0 13 58
337 A 373 LEU L H H < TS+ 0 0 -53.8 -49.6 -178.4 45.9 112.1 20.9 333 -2.6 0 0.0 0 0.0 0 0.0 11 55
338 A 374 TYR Y H H < > TS+ 0 0 -66.8 -36.7 -178.7 44.8 113.2 34.8 334 -1.9 341 -0.6 0 0.0 0 0.0 7 45
339 A 375 ASP D H H < 3 TS+ 0 0 -86.0 -12.8 179.9 29.6 126.5 50.2 335 -2.0 0 0.0 0 0.0 0 0.0 7 39
340 A 376 PHE F T h X > TS+ 0 0 -137.4 45.9 -178.4 145.4 73.6 106.6 336 -1.4 344 -1.8 0 0.0 343 -0.9 8 39
341 A 377 ILE I T T 4 < T + 0 0 -61.3 -17.5 178.7 66.0 66.5 50.0 338 -0.6 0 0.0 0 0.0 0 0.0 9 35
342 A 378 ASP D T T 4 3 TS+ 0 0 -69.9 -44.2 -179.7 38.6 108.3 21.4 0 0.0 0 0.0 0 0.0 0 0.0 5 25
343 A 379 TYR Y T T 4 < TS+ 0 0 -73.8 -37.0 -176.2 52.3 117.7 33.0 340 -0.9 0 0.0 0 0.0 0 0.0 6 38
344 A 380 PHE F t < T - 0 0 -111.1 166.7 -179.7 -145.7 62.6 127.9 340 -1.8 0 0.0 0 0.0 0 0.0 9 41
345 A 381 ASP D - 0 0 -128.6 143.5 -178.6 -133.9 18.2 164.4 348 -0.6 0 0.0 0 0.0 0 0.0 11 36
346 A 382 LYS K S S S+ 0 0 -64.0 -30.1 -178.0 31.0 102.8 41.3 0 0.0 437 -2.3 0 0.0 0 0.0 7 42
347 A 383 ASP D S S S+ 0 0 -101.6 -38.2 -178.6 45.9 115.6 34.6 0 0.0 438 -0.6 0 0.0 0 0.0 8 33
348 A 384 ASP D S S S- 0 0 -111.2 156.2 178.2 -117.2 76.4 139.9 0 0.0 345 -0.6 0 0.0 0 0.0 8 28
349 A 385 ALA A - 0 0 -80.6 154.4 179.1 -136.7 32.8 121.4 0 0.0 0 0.0 0 0.0 0 0.0 11 35
350 A 386 THR T - 0 0 -120.6 135.5 178.7 -125.0 9.8 163.6 0 0.0 352 -0.9 0 0.0 389 -0.6 10 37
351 A 387 ALA A - 0 0 -75.9 106.8 -178.1 -155.5 33.5 130.4 0 0.0 0 0.0 0 0.0 0 0.0 10 34
352 A 388 LEU L - 0 0 -93.5 121.6 179.8 -133.9 6.5 140.5 350 -0.9 0 0.0 0 0.0 0 0.0 12 38
353 A 389 PRO P h > T - 0 0 -65.5 160.1 -179.1 -109.6 25.1 101.0 0 0.0 357 -2.6 0 0.0 0 0.0 9 27
354 A 390 ARG R H H > TS+ 0 0 -60.7 -38.4 -179.9 51.1 120.4 29.2 0 0.0 358 -2.1 0 0.0 0 0.0 8 30
355 A 391 ASP D H H > TS+ 0 0 -66.1 -39.1 179.6 48.8 111.2 27.1 0 0.0 359 -2.4 0 0.0 0 0.0 6 24
356 A 392 LYS K H H > TS+ 0 0 -65.5 -47.5 179.0 53.2 107.9 23.7 0 0.0 360 -3.1 0 0.0 0 0.0 8 34
357 A 393 TYR Y H H X TS+ 0 0 -54.1 -48.7 -179.8 41.9 114.8 20.2 353 -2.6 361 -2.9 0 0.0 0 0.0 12 47
358 A 394 LEU L H H X TS+ 0 0 -65.6 -41.5 -179.3 55.3 112.0 24.8 354 -2.1 362 -2.8 0 0.0 0 0.0 9 40
359 A 395 GLU E H H X TS+ 0 0 -56.0 -50.6 -179.9 39.1 114.8 19.8 355 -2.4 363 -0.6 0 0.0 0 0.0 8 33
360 A 396 ILE I H H X > TS+ 0 0 -67.1 -50.0 179.7 51.0 115.1 21.1 356 -3.1 364 -2.3 0 0.0 363 -0.8 8 48
361 A 397 MET M H H X 3 TS+ 0 0 -53.1 -54.8 -178.6 52.1 107.9 17.4 357 -2.9 365 -2.5 0 0.0 0 0.0 11 55
362 A 398 ASN N H H < 3 TS+ 0 0 -55.9 -22.1 178.4 51.8 111.2 43.0 358 -2.8 0 0.0 0 0.0 0 0.0 9 39
363 A 399 ASN N H H < X TS+ 0 0 -76.1 -64.7 -179.8 45.3 108.5 12.6 360 -0.8 366 -2.0 359 -0.6 0 0.0 7 35
364 A 400 ILE I H H < 3 TS+ 0 0 -46.8 -45.1 -179.0 28.7 128.4 30.9 360 -2.3 0 0.0 0 0.0 0 0.0 9 50
365 A 401 PHE F T h < > TS+ 0 0 -107.0 19.9 179.5 117.9 81.9 81.1 361 -2.5 368 -2.3 0 0.0 0 0.0 8 47
366 A 402 GLY G T T < T + 0 0 -58.7 -15.6 -179.7 66.3 69.4 48.1 363 -2.0 0 0.0 0 0.0 0 0.0 10 30
367 A 403 LYS K T T 3 TS+ 0 0 -78.9 -19.3 -179.7 80.5 90.1 45.9 0 0.0 0 0.0 0 0.0 0 0.0 5 29
368 A 404 ALA A S t < TS- 0 0 -87.3 155.6 179.7 -89.7 97.8 121.8 365 -2.3 0 0.0 0 0.0 0 0.0 7 32
369 A 405 THR T h > T - 0 0 -53.6 166.4 -179.7 -113.6 38.2 92.6 0 0.0 373 -2.0 0 0.0 0 0.0 8 23
370 A 406 GLN Q H H > TS+ 0 0 -75.8 -30.3 179.3 64.2 113.5 33.0 0 0.0 374 -2.1 0 0.0 0 0.0 7 27
371 A 407 ALA A H H > TS+ 0 0 -56.8 -48.9 178.8 32.8 113.1 21.1 0 0.0 375 -1.8 0 0.0 0 0.0 8 25
372 A 408 GLU E H H > TS+ 0 0 -76.1 -35.9 178.9 63.3 112.1 28.1 0 0.0 376 -3.3 0 0.0 0 0.0 11 34
373 A 409 ARG R H H X TS+ 0 0 -54.9 -33.3 179.0 41.3 110.1 33.1 369 -2.0 377 -1.7 0 0.0 0 0.0 12 38
374 A 410 GLU E H H X TS+ 0 0 -81.1 -41.7 179.3 54.4 111.4 28.3 370 -2.1 378 -2.7 0 0.0 0 0.0 8 35
375 A 411 ALA A H H X TS+ 0 0 -58.4 -38.4 -179.8 46.8 111.8 28.2 371 -1.8 379 -2.3 0 0.0 0 0.0 10 40
376 A 412 ILE I H H X TS+ 0 0 -67.9 -53.8 -179.8 50.9 110.1 14.2 372 -3.3 380 -1.6 0 0.0 0 0.0 8 50
377 A 413 ILE I H H < TS+ 0 0 -51.4 -42.4 -179.9 46.8 113.1 28.0 373 -1.7 0 0.0 0 0.0 0 0.0 10 47
378 A 414 PHE F H H < > TS+ 0 0 -65.9 -49.0 -179.7 54.1 108.1 19.2 374 -2.7 381 -1.7 0 0.0 0 0.0 7 35
379 A 415 GLN Q H H < 3 TS+ 0 0 -57.3 -24.0 -179.8 43.7 114.8 42.3 375 -2.3 0 0.0 0 0.0 0 0.0 6 41
380 A 416 TYR Y T h < 3 TS+ 0 0 -114.8 30.5 177.5 111.6 84.6 91.0 376 -1.6 0 0.0 0 0.0 0 0.0 9 47
381 A 417 THR T t < T - 0 0 -99.3 147.5 180.0 -143.7 55.5 142.3 378 -1.7 0 0.0 0 0.0 0 0.0 8 39
382 A 418 SER S + 0 0 -116.3 142.8 179.9 161.5 30.8 155.2 0 0.0 0 0.0 0 0.0 0 0.0 10 32
383 A 419 TRP W + 0 0 -119.9 -45.3 -179.2 94.1 51.6 49.4 0 0.0 0 0.0 0 0.0 0 0.0 6 21
384 A 420 GLU E S S S- 0 0 -58.9 111.2 -179.8 -21.8 102.3 111.6 0 0.0 0 0.0 0 0.0 0 0.0 4 15
385 A 421 GLY G S S S- 0 0 92.2 -138.7 -179.0 -21.5 110.3 136.6 0 0.0 0 0.0 0 0.0 0 0.0 5 16
386 A 422 ASN N - 0 0 -108.8 170.3 175.1 -132.8 42.6 123.8 0 0.0 0 0.0 0 0.0 0 0.0 8 21
387 A 423 PRO P S t > > TS+ 0 0 -70.2 -81.4 179.5 79.5 81.8 15.3 0 0.0 391 -2.3 0 0.0 390 -2.3 12 27
388 A 424 GLY G T T 4 3 TS+ 0 0 -43.4 92.4 -177.8 13.1 111.9 99.8 0 0.0 0 0.0 0 0.0 0 0.0 10 30
389 A 425 TYR Y T h > 3 TS+ 0 0 125.1 -43.8 179.2 62.3 124.8 112.4 350 -0.6 393 -1.6 0 0.0 0 0.0 11 39
390 A 426 GLN Q H H > < TS+ 0 0 -75.9 -39.8 179.4 54.2 97.4 28.6 387 -2.3 394 -2.5 0 0.0 0 0.0 11 40
391 A 427 ASN N H H X TS+ 0 0 -59.9 -40.2 180.0 48.5 110.7 24.9 387 -2.3 395 -1.8 0 0.0 0 0.0 15 46
392 A 428 GLN Q H H > TS+ 0 0 -64.5 -46.2 179.7 50.0 110.5 22.2 0 0.0 396 -1.9 0 0.0 0 0.0 13 59
393 A 429 GLN Q H H X TS+ 0 0 -59.2 -40.3 -179.5 52.5 110.0 26.3 389 -1.6 397 -2.2 0 0.0 0 0.0 9 56
394 A 430 GLN Q H H X TS+ 0 0 -65.8 -38.8 179.5 49.2 107.3 31.3 390 -2.5 398 -2.2 0 0.0 0 0.0 11 56
395 A 431 ILE I H H X TS+ 0 0 -70.2 -31.0 178.7 53.9 110.4 32.3 391 -1.8 399 -1.5 0 0.0 0 0.0 12 65
396 A 432 GLY G H H X TS+ 0 0 -66.3 -45.8 179.7 48.6 107.8 21.6 392 -1.9 400 -2.2 0 0.0 0 0.0 13 67
397 A 433 A ARG R H H X TS+ 0 0 -59.8 -46.0 -179.7 53.0 109.1 22.7 393 -2.2 401 -3.0 0 0.0 0 0.0 12 55
398 A 434 ALA A H H X TS+ 0 0 -59.3 -34.4 179.9 50.5 109.4 33.2 394 -2.2 402 -2.0 0 0.0 0 0.0 10 61
399 A 435 VAL V H H X TS+ 0 0 -68.0 -59.0 180.0 37.9 116.1 12.0 395 -1.5 403 -2.9 0 0.0 0 0.0 13 65
400 A 436 GLY G H H X >TS+ 0 0 -59.5 -44.2 -179.9 52.8 117.0 24.4 396 -2.2 404 -2.6 0 0.0 405 -1.2 13 63
401 A 437 ASP D H H < >TS+ 0 0 -57.9 -50.7 -179.4 37.2 116.8 20.6 397 -3.0 406 -1.7 0 0.0 0 0.0 14 60
402 A 438 HIS H H H < 5TS+ 0 0 -68.9 -49.3 -176.6 34.4 126.8 17.7 398 -2.0 0 0.0 0 0.0 0 0.0 10 64
403 A 439 PHE F H H < 5TS+ 0 0 -83.7 -18.1 -177.9 0.1 135.0 49.1 399 -2.9 0 0.0 0 0.0 0 0.0 13 62
404 A 440 PHE F T h X 5TS+ 0 0 -132.2 -76.5 -177.6 44.9 119.1 56.0 400 -2.6 408 -2.3 0 0.0 0 0.0 16 68
405 A 441 THR T H H > TS+ 0 0 -57.9 -42.5 -179.7 44.0 113.0 25.5 0 0.0 411 -1.8 0 0.0 0 0.0 13 58
408 A 444 THR T H H X TS+ 0 0 -72.9 -30.0 178.2 54.9 111.2 33.3 404 -2.3 412 -1.8 0 0.0 0 0.0 16 74
409 A 445 ASN N H H X TS+ 0 0 -65.2 -48.8 -179.7 50.3 107.4 16.3 405 -1.9 413 -2.5 0 0.0 0 0.0 10 69
410 A 446 GLU E H H X TS+ 0 0 -55.8 -44.3 -180.0 45.2 112.6 26.2 406 -3.1 414 -2.5 0 0.0 0 0.0 9 64
411 A 447 TYR Y H H X TS+ 0 0 -70.0 -30.5 179.4 58.4 108.4 34.7 407 -1.8 415 -3.3 0 0.0 0 0.0 10 71
412 A 448 ALA A H H X TS+ 0 0 -62.9 -49.3 178.9 43.0 110.2 15.8 408 -1.8 416 -2.4 0 0.0 0 0.0 13 66
413 A 449 GLN Q H H X TS+ 0 0 -61.3 -47.0 179.5 49.6 115.1 20.9 409 -2.5 417 -2.3 0 0.0 0 0.0 12 54
414 A 450 ALA A H H X TS+ 0 0 -59.1 -43.9 179.6 50.1 110.5 24.7 410 -2.5 418 -1.7 0 0.0 0 0.0 10 50
415 A 451 LEU L H H < >TS+ 0 0 -60.5 -48.1 -179.8 49.1 110.5 20.1 411 -3.3 420 -1.9 0 0.0 0 0.0 12 55
416 A 452 ALA A H H < >5TS+ 0 0 -58.1 -43.5 179.9 53.3 108.9 24.2 412 -2.4 419 -1.9 0 0.0 0 0.0 13 44
417 A 453 GLU E H H < 35TS+ 0 0 -60.6 -34.8 -179.4 55.3 104.9 31.9 413 -2.3 0 0.0 0 0.0 0 0.0 9 34
418 A 454 ARG R T h < 35TS- 0 0 -81.2 6.4 178.0 -98.7 128.7 69.7 414 -1.7 318 -2.0 0 0.0 0 0.0 12 35
419 A 455 GLY G T T <5TS+ 0 0 98.2 -5.8 -179.4 141.4 73.3 68.4 416 -1.9 0 0.0 0 0.0 0 0.0 11 33
420 A 456 ALA A t T - 0 0 -57.7 131.9 -178.9 -124.3 17.6 107.9 429 -0.7 434 -2.6 0 0.0 0 0.0 9 48
432 A 468 SER S T T 3 TS+ 0 0 -48.6 -27.3 -178.0 47.8 109.8 42.9 0 0.0 0 0.0 0 0.0 0 0.0 6 36
433 A 469 THR T T T 3 TS+ 0 0 -100.7 5.9 -179.4 143.8 74.0 67.7 0 0.0 0 0.0 0 0.0 0 0.0 6 32
434 A 470 SER S t < T - 0 0 -49.1 129.2 -179.6 -154.5 39.2 101.0 431 -2.6 0 0.0 0 0.0 0 0.0 6 41
435 A 471 LEU L + 0 0 -93.1 16.2 179.8 91.7 63.8 80.1 0 0.0 0 0.0 0 0.0 0 0.0 6 33
436 A 472 TRP W S S S- 0 0 -107.6 165.8 -179.9 -74.8 91.0 131.7 0 0.0 0 0.0 0 0.0 0 0.0 8 44
437 A 473 GLY G g > T - 0 0 -56.3 147.4 -179.7 -122.1 38.5 101.4 346 -2.3 440 -1.2 0 0.0 0 0.0 11 41
438 A 474 GLU E G G > TS+ 0 0 -63.4 -23.7 179.3 66.7 110.5 39.3 347 -0.6 441 -1.1 0 0.0 0 0.0 8 37
439 A 475 TRP W G G 3 TS+ 0 0 -66.2 -29.6 -179.8 61.0 91.0 35.7 0 0.0 0 0.0 0 0.0 0 0.0 8 46
440 A 476 MET M G G < TS- 0 0 -73.2 -12.1 178.2 -179.5 87.8 51.5 437 -1.2 0 0.0 0 0.0 0 0.0 10 54
441 A 477 GLY G g < T - 0 0 49.1 -149.4 179.8 -0.9 52.6 91.4 438 -1.1 443 -1.0 0 0.0 0 0.0 10 49
442 A 478 VAL V S S S- 0 0 -73.4 101.6 -177.1 -162.5 90.3 129.8 0 0.0 330 -2.1 0 0.0 0 0.0 14 53
443 A 479 LEU L B B c > T - 330 0 -101.9 158.9 178.6 -69.2 26.2 124.8 441 -1.0 446 -2.7 0 0.0 0 0.0 14 58
444 A 480 A HIS H T T 3 TS+ 0 0 -31.9 119.8 179.3 16.2 120.3 88.8 330 -0.7 0 0.0 0 0.0 0 0.0 11 65
445 A 481 GLY G T h > 3 TS+ 0 0 93.2 -9.6 179.2 111.5 87.8 70.0 0 0.0 449 -0.7 0 0.0 0 0.0 8 67
446 A 482 ASP D H H > < TS+ 0 0 -65.9 -31.8 -179.1 57.2 77.2 31.5 443 -2.7 450 -0.7 0 0.0 0 0.0 11 63
447 A 483 GLU E H H > TS+ 0 0 -70.9 -26.7 -178.8 75.9 88.6 36.8 0 0.0 451 -2.1 0 0.0 0 0.0 9 66
448 A 484 ILE I H H > TS+ 0 0 -50.8 -55.5 178.9 52.4 91.2 22.2 0 0.0 452 -1.9 0 0.0 0 0.0 10 71
449 A 485 GLU E H H < >TS+ 0 0 -45.2 -53.6 -178.2 48.0 111.5 23.2 445 -0.7 454 -2.3 0 0.0 0 0.0 13 64
450 A 486 TYR Y H H < >5TS+ 0 0 -58.9 -43.1 179.4 50.7 108.9 29.7 446 -0.7 453 -1.0 0 0.0 0 0.0 14 66
451 A 487 PHE F H H < 35TS+ 0 0 -67.6 -26.5 178.2 50.9 110.7 37.3 447 -2.1 0 0.0 0 0.0 0 0.0 13 72
452 A 488 PHE F T h < 35TS- 0 0 -85.2 -5.8 179.4 -124.1 114.7 57.9 448 -1.9 0 0.0 0 0.0 0 0.0 14 65
453 A 489 GLY G T g X5T + 0 0 69.7 30.1 -179.9 149.1 59.5 38.1 450 -1.0 456 -1.5 0 0.0 0 0.0 14 53
454 A 490 GLN Q G G > T - 0 0 -73.5 154.5 180.0 -111.1 37.5 114.0 0 0.0 467 -2.0 0 0.0 0 0.0 7 29
464 A 500 PRO P H H > TS+ 0 0 -52.6 -40.6 -180.0 50.2 121.9 26.5 0 0.0 468 -1.4 0 0.0 0 0.0 6 28
465 A 501 VAL V H H > TS+ 0 0 -66.5 -36.1 179.8 54.0 107.2 30.6 0 0.0 469 -2.3 0 0.0 0 0.0 7 32
466 A 502 GLU E H H > TS+ 0 0 -68.7 -30.1 178.8 51.2 106.8 33.6 0 0.0 470 -2.2 0 0.0 0 0.0 11 43
467 A 503 ARG R H H X TS+ 0 0 -74.1 -30.0 179.7 52.7 108.4 34.2 463 -2.0 471 -1.9 0 0.0 0 0.0 11 42
468 A 504 GLU E H H X TS+ 0 0 -69.1 -44.3 -179.9 47.0 110.0 21.4 464 -1.4 472 -2.1 0 0.0 0 0.0 9 36
469 A 505 LEU L H H X TS+ 0 0 -63.0 -44.1 178.8 53.6 109.6 22.8 465 -2.3 473 -3.4 0 0.0 0 0.0 12 44
470 A 506 GLY G H H X TS+ 0 0 -56.1 -41.4 179.8 50.7 108.8 23.9 466 -2.2 474 -2.1 0 0.0 0 0.0 16 50
471 A 507 LYS K H H X TS+ 0 0 -63.2 -39.7 179.8 44.3 114.0 27.1 467 -1.9 475 -1.5 0 0.0 0 0.0 12 43
472 A 508 ARG R H H X TS+ 0 0 -70.0 -48.3 -178.6 46.5 114.2 22.1 468 -2.1 476 -2.0 0 0.0 0 0.0 8 51
473 A 509 MET M H H X TS+ 0 0 -66.1 -31.3 179.4 51.1 112.5 34.0 469 -3.4 477 -1.4 0 0.0 0 0.0 12 61
474 A 510 LEU L H H X TS+ 0 0 -71.5 -39.2 -179.1 50.7 110.3 24.9 470 -2.1 478 -2.1 0 0.0 0 0.0 13 58
475 A 511 SER S H H X TS+ 0 0 -68.0 -32.3 178.7 58.7 102.6 34.2 471 -1.5 479 -2.5 0 0.0 0 0.0 11 52
476 A 512 ALA A H H X TS+ 0 0 -62.4 -40.6 -179.4 47.9 108.4 21.3 472 -2.0 480 -2.1 0 0.0 0 0.0 13 65
477 A 513 VAL V H H X TS+ 0 0 -63.9 -53.0 -178.0 44.4 113.3 14.9 473 -1.4 481 -2.8 0 0.0 0 0.0 10 68
478 A 514 ILE I H H X TS+ 0 0 -59.9 -44.9 179.1 49.6 114.0 26.5 474 -2.1 482 -1.9 0 0.0 0 0.0 11 55
479 A 515 GLU E H H X TS+ 0 0 -60.3 -43.1 -179.3 49.2 112.4 23.6 475 -2.5 483 -3.0 0 0.0 485 -0.8 13 50
480 A 516 PHE F H H X TS+ 0 0 -62.4 -47.3 -179.4 48.1 110.9 21.0 476 -2.1 484 -2.8 0 0.0 0 0.0 12 60
481 A 517 ALA A H H < TS+ 0 0 -63.4 -28.6 -178.1 44.2 118.2 34.7 477 -2.8 0 0.0 0 0.0 0 0.0 16 60
482 A 518 LYS K H H < TS+ 0 0 -86.9 -33.6 -177.4 9.2 134.8 34.3 478 -1.9 0 0.0 0 0.0 0 0.0 9 50
483 A 519 THR T H H < TS- 0 0 -129.2 2.6 -178.2 -111.8 94.5 68.7 479 -3.0 0 0.0 0 0.0 0 0.0 7 44
484 A 520 GLY G S h < TS+ 0 0 68.9 20.7 -179.4 98.8 94.0 41.6 480 -2.8 0 0.0 0 0.0 0 0.0 10 48
485 A 521 ASN N - 0 0 -147.4 111.8 -179.6 -163.4 58.4 152.1 479 -0.8 0 0.0 0 0.0 0 0.0 13 49
486 A 522 PRO P S S S+ 0 0 -60.2 -32.8 -178.8 91.1 71.5 36.7 0 0.0 0 0.0 0 0.0 0 0.0 15 53
487 A 523 ALA A - 0 0 -74.0 131.5 176.4 -169.3 58.4 119.0 0 0.0 0 0.0 0 0.0 0 0.0 10 42
488 A 524 GLN Q t > T - 0 0 -101.9 -174.1 -179.8 -67.1 41.2 113.0 0 0.0 491 -0.5 0 0.0 0 0.0 9 28
489 A 525 ASP D T T 3 TS+ 0 0 -78.8 153.4 -179.9 27.1 117.2 115.7 0 0.0 0 0.0 0 0.0 0 0.0 5 18
490 A 526 GLY G T T 3 TS+ 0 0 85.6 -27.5 179.0 91.8 106.5 86.6 0 0.0 0 0.0 0 0.0 0 0.0 4 14
491 A 527 GLU E S t < TS- 0 0 -102.8 131.6 179.2 -146.7 70.1 150.5 488 -0.5 493 -0.6 0 0.0 0 0.0 6 27
492 A 528 GLU E + 0 0 -101.1 120.4 178.1 157.5 29.5 151.4 0 0.0 0 0.0 0 0.0 0 0.0 7 26
493 A 529 TRP W - 0 0 -144.0 83.3 -179.7 -157.3 25.9 130.7 491 -0.6 0 0.0 0 0.0 0 0.0 10 43
494 A 530 PRO P - 0 0 -59.0 153.3 178.9 -90.4 27.9 95.4 0 0.0 0 0.0 0 0.0 0 0.0 7 42
495 A 531 ASN N - 0 0 -62.6 156.2 178.6 -121.9 39.4 101.5 0 0.0 502 -0.5 0 0.0 0 0.0 10 49
496 A 532 PHE F B B D + 501 0 -105.4 135.3 178.9 150.8 42.6 152.0 422 -3.0 0 0.0 0 0.0 0 0.0 15 50
497 A 533 SER S - 0 0 -152.3 164.9 179.3 -102.6 59.1 161.1 500 -1.2 0 0.0 0 0.0 0 0.0 12 42
498 A 534 LYS K S S S+ 0 0 -58.9 -40.5 -179.3 55.3 122.3 24.8 0 0.0 0 0.0 0 0.0 0 0.0 9 38
499 A 535 GLU E S S S+ 0 0 -56.4 -52.3 179.8 12.9 128.6 20.8 0 0.0 0 0.0 0 0.0 0 0.0 4 30
500 A 536 ASP D S S S- 0 0 -130.3 90.4 -179.4 -169.5 73.9 146.6 0 0.0 502 -1.8 0 0.0 497 -1.2 7 33
501 A 537 PRO P B B D + 496 0 -82.4 67.1 -180.0 167.7 21.1 114.8 0 0.0 0 0.0 0 0.0 0 0.0 11 48
502 A 538 VAL V - 0 0 -81.7 144.7 176.7 -174.4 11.1 123.5 500 -1.8 0 0.0 495 -0.5 0 0.0 12 45
503 A 539 TYR Y - 0 0 -139.1 145.6 -179.9 -122.9 24.3 172.9 0 0.0 516 -1.2 0 0.0 0 0.0 14 59
504 A 540 TYR Y E E BkE - 425 515 -89.1 127.7 180.0 -140.0 24.1 139.3 424 -2.1 426 -3.2 0 0.0 506 -0.5 11 56
505 A 541 ILE I E E Bk - 426 0 -89.8 124.7 177.9 -151.7 8.3 141.8 514 -4.7 507 -0.7 0 0.0 0 0.0 12 53
506 A 542 PHE F E E Bk + 427 0 -99.2 116.2 -177.3 133.0 40.3 151.1 426 -3.4 428 -2.3 504 -0.5 0 0.0 12 59
507 A 543 SER S - 0 0 -155.6 163.8 178.5 -130.7 60.5 166.0 505 -0.7 0 0.0 0 0.0 0 0.0 9 48
508 A 544 THR T S S S+ 0 0 -91.3 -24.3 178.8 95.5 84.3 45.2 0 0.0 0 0.0 0 0.0 0 0.0 8 37
509 A 545 ASP D - 0 0 -68.5 116.8 -179.0 -169.3 56.8 124.1 0 0.0 0 0.0 0 0.0 0 0.0 5 28
510 A 546 ASP D S S S+ 0 0 -93.1 9.9 179.6 75.3 74.4 71.7 0 0.0 0 0.0 0 0.0 0 0.0 6 21
511 A 547 LYS K S S S+ 0 0 -91.5 -22.3 -179.4 84.3 79.5 46.8 0 0.0 0 0.0 0 0.0 0 0.0 4 14
512 A 548 ILE I S S S- 0 0 -79.3 163.9 179.0 -98.4 91.5 108.9 0 0.0 514 -0.6 0 0.0 0 0.0 5 19
513 A 549 GLU E - 0 0 -84.0 122.8 -178.4 -136.0 30.8 138.0 0 0.0 0 0.0 0 0.0 0 0.0 7 25
514 A 550 LYS K S S S+ 0 0 -50.0 -40.3 178.5 28.7 84.1 37.0 512 -0.6 505 -4.7 0 0.0 0 0.0 7 37
515 A 551 LEU L B B E + 504 0 -128.3 137.7 179.0 167.1 63.9 169.2 0 0.0 0 0.0 0 0.0 0 0.0 9 38
516 A 552 ALA A - 0 0 -145.9 138.9 -178.2 -170.2 17.1 171.5 503 -1.2 0 0.0 0 0.0 0 0.0 10 38
517 A 553 ARG R S h > TS+ 0 0 -100.5 -23.2 -172.7 69.9 72.2 43.1 0 0.0 521 -1.2 0 0.0 0 0.0 10 39
518 A 554 GLY G H H > TS+ 0 0 -64.4 -56.4 -176.8 55.1 88.6 21.8 0 0.0 522 -2.6 0 0.0 0 0.0 6 28
519 A 555 PRO P H H > TS+ 0 0 -49.2 -52.1 -179.0 41.7 112.4 27.2 0 0.0 523 -2.4 0 0.0 0 0.0 7 36
520 A 556 LEU L H H > TS+ 0 0 -65.4 -40.3 180.0 55.0 112.6 25.8 0 0.0 524 -2.9 0 0.0 0 0.0 7 53
521 A 557 ALA A H H X TS+ 0 0 -58.0 -44.7 179.7 45.9 110.7 24.8 517 -1.2 525 -2.4 0 0.0 0 0.0 9 40
522 A 558 ALA A H H X TS+ 0 0 -64.3 -51.5 179.5 49.8 112.5 16.9 518 -2.6 526 -0.8 0 0.0 0 0.0 8 31
523 A 559 ARG R H H < TS+ 0 0 -51.0 -54.1 -176.6 34.1 120.9 20.1 519 -2.4 0 0.0 0 0.0 0 0.0 10 47
524 A 560 CYS C H H X TS+ 0 0 -80.9 -23.2 179.1 76.9 96.6 44.3 520 -2.9 528 -3.4 0 0.0 0 0.0 13 46
525 A 561 SER S H H X >TS+ 0 0 -55.3 -29.2 179.7 59.2 95.2 33.5 521 -2.4 530 -1.7 0 0.0 529 -0.5 9 38
526 A 562 PHE F H H < >TS+ 0 0 -64.7 -46.0 -179.0 31.2 114.6 24.4 522 -0.8 531 -2.4 0 0.0 0 0.0 9 40
527 A 563 TRP W H H 4 5TS+ 0 0 -81.0 -40.5 -177.5 42.0 126.2 27.1 0 0.0 0 0.0 0 0.0 0 0.0 11 48
528 A 564 ASN N H H < 5TS+ 0 0 -94.6 17.5 -179.5 12.7 131.9 80.9 524 -3.4 0 0.0 0 0.0 0 0.0 10 42
529 A 565 ASP D T h < 5TS+ 0 0 -150.8 -60.2 -179.1 37.2 125.7 68.8 525 -0.5 0 0.0 0 0.0 0 0.0 9 30
530 A 566 TYR Y T h > > 3 3 TS+ 0 0 -56.9 -29.3 -179.5 44.1 106.3 34.1 0 0.0 536 -0.8 0 0.0 0 0.0 9 26
533 A 569 LYS K H H 4 < TS+ 0 0 -82.8 -37.7 178.8 53.9 108.8 34.3 530 -3.1 0 0.0 0 0.0 0 0.0 7 21
534 A 570 VAL V H H < TS+ 0 0 -62.2 -36.3 179.9 65.7 100.1 26.9 530 -1.2 0 0.0 0 0.0 0 0.0 10 24
535 A 571 ARG R H H < TS+ 0 0 -48.6 -50.1 179.1 94.9 77.0 23.8 531 -2.6 537 -0.8 0 0.0 0 0.0 9 23
536 A 572 SER S h < T 0 0 -49.7 92.8 -179.4 999.9 999.9 104.8 532 -0.8 0 0.0 0 0.0 0 0.0 5 17
537 A 573 TRP W 0 0 42.2 999.9 999.9 999.9 999.9 36.1 535 -0.8 0 0.0 0 0.0 0 0.0 3 15
1dx4A.pdb
1DX4 HYDROLASE (SERINE ESTERASE) MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SEEEETTEEEE EEEEETTEEEEEEEEEE S GGGTTS SS EE SS B S SSTT HHHHTTS SS B S EEEEEEE Kabs/Sand
chirality ++----+----+----++-+-+---+++-++---+-+++++-------------+++------+---+++-++-++++++--+--+-++++----+- chirality
bends S SS SSS S SSSSSS SS SS S SSSS SSSSSSS SS S bends
turns TTTT TTTT TTTTTTT TTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >33< >>3X<3< >33< >>3<< 3-turns
bridge-2 bb DDDDD*DD EEEE bridge-2
bridge-1 AAAA AAAA CCCCC CCCCC bb a a DDDDDDD bridge-1
sheets AAAA AAAA BBBBB BBBBBBBBBB AA BBBBBBB sheets
4-turns >>44<< 4-turns
summary eEEEETTEEEEeEEEEETTEEEEEEEEEEeS gGGGgTt SS EEeSS B S StTThHHHHhTt SS B S eEEEEEEEe summary
sequence DRLVVQTSSGPVRGRSVTVQGREVHVYTGIPYAKPPVEDLRFRKPVPAEPWHGVLDATGLSATCVQERYEYFPGFSGEEIWNPNTNVSEDCLYINVWAPA sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand SSEEEEEEE STTT TT GGG HHHHHHHT EEEEE THHHH GGGS GGGTTSS S HHHHHHHHHHHHHHHSTGGGTEEEEEEEEEE Kabs/Sand
chirality ++---------+--+++--++-+++-+++++++-+---++----+-++++-+++++--+++++-+-+++++++++++++++++++++-+--+++--++- chirality
bends SS SSSS S SSS SSSSSSS SSSS SSSS SSSSSSS S SSSSSSSSSSSSSSSSSSSS SSS bends
turns TTTTT TTTTTTTTTTTTTTTTTT TTTTTTT TTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33X>3<< >>3<< >>3<<>>3X<3< >33< >>3<< >33< 3-turns
bridge-2 gggg gggg hhh bridge-2
bridge-1 f*fffff EEEE f****fffff bridge-1
sheets BBBBBBB BBBBB BBBBBBBBBB sheets
4-turns >444< >>>>X<<<< >>44<< >444< >>>>XXXXXXXXX<<5555< 5-turns
3-turns >>3<< >33< >33X>3<< >>3<< >>><<< >33< >33< >33< >>>X<<< >33< 3-turns
bridge-2 h iiiii bridge-2
bridge-1 hhhh b b bridge-1
sheets B BBBBB sheets
4-turns >>>>XXXXX<<>>>XXXXXXXX<<<< >444X>>>XX>>>X<<<< 4-turns
summary EhHHHHHHHHHHHhTTTTTt eEEEEEe tTTgGGGgBhHHHHHHHHHHHHHHhTtgGGGGgThHHHHHHHHhTthHHHHHHHhGGGg tTTt S B summary
sequence ESAGSSSVNAQLMSPVTRGLVKRGMMQSGTMNAPWSHMTSEKAVEIGKALINDCNCNASMLKTNPAHVMSCMRSVDAKTISVQQWNSYSGILSFPSAPTI sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand SSSS S TTTTGGG GGG EEEEEEETBSSHHHHHHHTTTT SSS HHHHHHHHHHHTTTS HHHHHHHHHHT SS STTHHHHHHHHHHH Kabs/Sand
chirality -++++---+++++++--+++---++---+++++++++++++++--++------++++++++++++++--+++++++++++-++---++++++++++++++ chirality
bends SSSS S SSSSSSS SS S SSSSSSSSSS SS SSS SSSSSSSSSSSS SS SSSSSSSSSSS SS SSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTT turns
5-turns > 5-turns
3-turns >33<>>3<<>>3<< >33< >3><3< >33X3><3< >33< >33< 3-turns
bridge-2 jjjjjjj bridge-2
bridge-1 iiiii c bridge-1
sheets BBBBBBB sheets
4-turns >4>4<4< >>>>X<<>>>XXXXX<<<< >>>>XXXX<<<< >4>>X>XXXXXXXX 4-turns
summary SSSS StTTTgGGGggGGGeEEEEEEEeBthHHHHHHHhTTTt SSS hHHHHHHHHHHHhTTthHHHHHHHHHHht SS tThHHHHHHHHHHH summary
sequence DGAFLPADPMTLMKTADLKDYDILMGNVRDEGTYFLLYDFIDYFDKDDATALPRDKYLEIMNNIFGKATQAEREAIIFQYTSWEGNPGYQNQQQIGRAVG sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand HHHTHHHHHHHHHHHHHTT EEEEEEE TT S GGG SBTTHHHHHHTTGGG TTS HHHHHHHHHHHHHHHHHHHHS S TTS B SSS Kabs/Sand
chirality +++++++++++++++++-+-------++---++-+--++----++++++++-++++-++-+--+++++++++++++++++++-+-+--++-+---+-++- chirality
bends SSSSSSSSSSSSSSSSSSS SS S SSS S SSSSSSSSS SS SSS SSSSSSSSSSSSSSSSSSSSS S SSS SSS bends
turns TTTTTTTTTTTTTTTTTTTT TTTT TTTTT TTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTT TTTT turns
5-turns >555<< >5555< >5555< 5-turns
3-turns >33< >33< >>3<< >33< >33X>333< 3-turns
bridge-2 kkk bridge-2
bridge-1 jjjjjjj c D bridge-1
sheets BBBBBBB sheets
4-turns <<>>XXXXXXX<<<< >>>><<<< >>>>XXXXXXXXXXXXXX<<<< 4-turns
summary HHHhHHHHHHHHHHHHHhTtEEEEEEEe tTTt SgGGGgSBThHHHHHHhgGGGgTTt hHHHHHHHHHHHHHHHHHHHHh S tTTt B SSS summary
sequence DHFFTCPTNEYAQALAERGASVHYYYFTHRTSTSLWGEWMGVLHGDEIEYFFGQPLNNSLQYRPVERELGKRMLSAVIEFAKTGNPAQDGEEWPNFSKED sequence
410 420 430 440 450 460 470 480 490 500
author author
Kabs/Sand B EEE S SSS SB SHHHHHHHHHHHTTHHHHH Kabs/Sand
chirality +----+-+-++--++-+++++++++++++++++++ chirality
bends S SSS S SSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTT turns
5-turns >>555<< 5-turns
3-turns >33< 3-turns
bridge-2 E bridge-2
bridge-1 D kkk E bridge-1
sheets BBB sheets
4-turns >>>>XX>>4<<< 4-turns
summary B EEE S SSS SB hHHHHHHHHHHHhhHHHHHh summary
sequence PVYYIFSTDDKIEKLARGPLAARCSFWNDYLPKVRSW sequence
510 520 530
Messages
chain break between 100(A 102 ) and 101(A 137 )