Secondary structure calculation program - copyright by David Keith Smith, 1989
1jb9A.pdb
1JB9 OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 307
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 6 SER S 0 0 999.9 77.4 179.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 9
2 A 7 ARG R - 0 0 -91.9 -179.6 -178.9 -103.9 999.9 102.1 0 0.0 0 0.0 0 0.0 0 0.0 4 13
3 A 8 SER S S S S+ 0 0 -77.6 -27.8 179.5 88.0 90.9 39.1 0 0.0 0 0.0 0 0.0 0 0.0 5 21
4 A 9 LYS K S S S- 0 0 -74.7 136.6 -177.6 -122.2 80.7 120.9 0 0.0 0 0.0 0 0.0 0 0.0 8 31
5 A 10 VAL V E E Aa - 185 0 -80.8 135.4 178.8 -114.3 25.7 127.8 184 -3.1 186 -3.1 0 0.0 0 0.0 8 32
6 A 11 SER S E E Aa - 186 0 -68.6 139.1 179.5 -168.6 35.6 120.3 0 0.0 0 0.0 0 0.0 0 0.0 8 33
7 A 12 VAL V e - 0 0 -125.4 156.1 178.9 -116.4 12.0 157.3 186 -0.5 0 0.0 0 0.0 0 0.0 12 38
8 A 13 ALA A S S S+ 0 0 -151.3 159.4 -3.5 27.0 72.0 166.9 99 -1.6 0 0.0 0 0.0 0 0.0 10 32
9 A 14 PRO P g > T - 0 0 -94.5 139.9 -175.4 -167.9 53.7 63.4 0 0.0 12 -2.2 0 0.0 0 0.0 8 32
10 A 15 LEU L G G > TS+ 0 0 -65.0 -11.4 176.1 83.4 77.2 47.8 0 0.0 13 -2.5 0 0.0 0 0.0 8 30
11 A 16 HIS H G G > TS+ 0 0 -65.0 -13.4 175.7 78.5 73.3 45.2 0 0.0 14 -1.8 0 0.0 0 0.0 7 29
12 A 17 LEU L G G < TS+ 0 0 -65.7 -13.7 176.5 59.6 87.7 44.7 9 -2.2 0 0.0 0 0.0 0 0.0 9 38
13 A 18 GLU E G G < TS+ 0 0 -86.4 -6.3 -174.7 73.4 89.4 56.9 10 -2.5 0 0.0 0 0.0 0 0.0 6 36
14 A 19 SER S g < T + 0 0 -82.8 -22.0 -179.0 105.4 65.6 43.0 11 -1.8 0 0.0 0 0.0 0 0.0 6 22
15 A 20 ALA A - 0 0 -61.6 141.0 -178.2 -156.8 54.9 107.6 0 0.0 0 0.0 0 0.0 0 0.0 7 23
16 A 21 LYS K S S S+ 0 0 -94.3 -22.5 174.6 30.0 76.0 41.3 0 0.0 0 0.0 0 0.0 0 0.0 4 21
17 A 22 GLU E S S S- 0 0 -130.8 157.5 -177.2 -99.2 92.3 157.3 0 0.0 0 0.0 0 0.0 0 0.0 4 29
18 A 23 PRO P - 0 0 -76.1 152.2 176.5 -104.8 41.4 116.9 0 0.0 0 0.0 0 0.0 0 0.0 7 36
19 A 24 PRO P - 0 0 -66.8 141.6 175.2 -170.8 42.0 118.1 0 0.0 0 0.0 0 0.0 0 0.0 9 36
20 A 25 LEU L - 0 0 -140.9 129.9 176.3 -12.9 58.2 167.1 0 0.0 0 0.0 0 0.0 0 0.0 9 37
21 A 26 ASN N + 0 0 54.9 39.1 177.3 157.5 68.7 32.0 147 -3.8 0 0.0 0 0.0 0 0.0 9 32
22 A 27 THR T S S S+ 0 0 -60.7 -42.1 178.3 33.1 72.4 26.5 0 0.0 0 0.0 0 0.0 0 0.0 9 33
23 A 28 TYR Y B B A S- 146 0 -118.0 141.5 -175.5 -158.7 80.6 162.1 146 -2.3 146 -2.6 0 0.0 0 0.0 12 35
24 A 29 LYS K B B B > T - 27 0 -120.4 161.9 -174.3 -99.3 32.1 140.2 27 -0.7 27 -1.8 0 0.0 0 0.0 9 34
25 A 30 PRO P T T 3 TS+ 0 0 -51.7 -34.4 179.9 56.3 117.8 38.0 0 0.0 0 0.0 0 0.0 0 0.0 8 35
26 A 31 LYS K T T 3 TS+ 0 0 -73.9 -22.6 -179.3 21.8 124.4 36.0 0 0.0 0 0.0 0 0.0 0 0.0 4 26
27 A 32 GLU E B B B < TS- 24 0 -146.0 78.5 -174.1 -178.7 83.1 127.8 24 -1.8 24 -0.7 0 0.0 0 0.0 6 28
28 A 33 PRO P - 0 0 -71.3 164.9 172.9 -108.0 32.8 103.5 0 0.0 0 0.0 0 0.0 0 0.0 10 36
29 A 34 PHE F E E BB - 144 0 -91.4 139.0 178.1 -131.4 29.5 142.4 144 -2.9 144 -3.1 0 0.0 31 -1.0 9 40
30 A 35 THR T E E BB - 143 0 -94.4 107.8 179.0 -177.6 32.9 142.1 0 0.0 0 0.0 0 0.0 0 0.0 9 40
31 A 36 ALA A E E BB - 142 0 -97.1 169.4 -177.5 -124.7 19.5 118.0 142 -2.8 142 -2.4 29 -1.0 0 0.0 12 47
32 A 37 THR T E E BBC - 141 54 -122.9 136.0 179.5 -122.6 17.0 161.6 54 -1.9 54 -3.1 0 0.0 0 0.0 12 40
33 A 38 ILE I E E B C + 0 53 -75.8 131.7 178.4 179.6 24.6 124.7 140 -3.1 139 -3.1 0 0.0 0 0.0 16 42
34 A 39 VAL V E E B * - 0 0 -97.2 -44.7 179.7 -12.7 64.6 34.3 52 -3.0 0 0.0 0 0.0 0 0.0 11 35
35 A 40 SER S E E B C - 0 52 -157.5 157.6 178.1 -162.6 47.4 172.1 52 -1.4 52 -2.5 0 0.0 0 0.0 9 38
36 A 41 VAL V E E B C + 0 51 -142.0 126.3 180.0 170.5 19.5 169.4 0 0.0 0 0.0 0 0.0 0 0.0 13 39
37 A 42 GLU E E E B C - 0 50 -140.8 148.4 -179.5 -115.1 34.9 176.2 50 -2.2 50 -3.3 0 0.0 0 0.0 7 37
38 A 43 SER S E E B C - 0 49 -79.4 139.2 -177.5 -163.8 20.2 123.1 0 0.0 0 0.0 0 0.0 0 0.0 8 40
39 A 44 LEU L e + 0 0 -99.2 -6.6 -170.2 69.9 61.5 60.9 48 -3.5 0 0.0 0 0.0 0 0.0 11 45
40 A 45 VAL V S S S- 0 0 -116.6 162.4 178.1 -119.3 72.1 137.2 48 -0.6 0 0.0 0 0.0 0 0.0 13 35
41 A 46 GLY G t > T - 0 0 -92.9 172.5 178.3 -86.3 43.8 114.8 206 -2.4 44 -2.3 0 0.0 0 0.0 7 25
42 A 47 PRO P T T 3 TS+ 0 0 -43.8 -37.5 -177.9 56.9 121.1 40.5 0 0.0 0 0.0 0 0.0 0 0.0 5 19
43 A 48 LYS K T T 3 TS+ 0 0 -84.2 -1.1 -178.8 115.4 76.1 55.1 0 0.0 0 0.0 0 0.0 0 0.0 8 22
44 A 49 ALA A S t < TS- 0 0 -66.1 149.0 177.8 -121.6 75.8 111.3 41 -2.3 0 0.0 0 0.0 0 0.0 12 32
45 A 50 PRO P S S S- 0 0 -63.4 -15.5 -178.7 -10.0 88.1 52.6 0 0.0 0 0.0 0 0.0 0 0.0 6 36
46 A 51 GLY G S S S- 0 0 -174.7 165.0 -177.2 -76.1 85.7 167.2 0 0.0 0 0.0 0 0.0 0 0.0 7 38
47 A 52 GLU E e - 0 0 -84.2 140.5 171.8 -174.6 31.9 128.4 0 0.0 110 -2.9 0 0.0 0 0.0 10 44
48 A 53 THR T E E B D - 0 109 -125.1 125.8 -176.4 -162.6 15.9 177.4 0 0.0 39 -3.5 0 0.0 40 -0.6 13 54
49 A 54 CYS C E E BCD - 38 108 -114.3 153.1 175.7 -138.7 17.0 145.6 108 -2.8 108 -2.6 0 0.0 0 0.0 14 53
50 A 55 HIS H E E BCD - 37 107 -107.4 124.3 -178.0 -167.9 24.4 161.4 37 -3.3 37 -2.2 0 0.0 0 0.0 12 56
51 A 56 ILE I E E BCD - 36 106 -119.9 127.0 179.7 -158.9 9.6 164.6 106 -2.4 106 -2.2 0 0.0 53 -0.5 15 61
52 A 57 VAL V E E BCD - 35 105 -107.2 126.0 -178.0 -167.6 13.7 157.6 35 -2.5 34 -3.0 0 0.0 35 -1.4 13 59
53 A 58 ILE I E E BCD - 33 104 -117.5 132.0 176.4 -139.1 17.2 163.3 104 -3.1 104 -2.3 51 -0.5 55 -0.7 12 62
54 A 59 ASP D E E BCD + 32 103 -88.5 113.3 179.7 167.1 26.6 140.8 32 -3.1 32 -1.9 0 0.0 0 0.0 11 48
55 A 60 HIS H e > T - 0 0 -104.2 3.7 178.4 -132.3 44.4 70.0 102 -2.6 58 -2.3 53 -0.7 0 0.0 12 50
56 A 61 GLY G T T 3 T - 0 0 56.3 22.2 -178.0 -61.3 62.3 49.5 102 -1.4 0 0.0 0 0.0 0 0.0 9 35
57 A 62 GLY G T T 3 TS+ 0 0 87.3 -1.7 -179.0 107.7 117.2 61.1 0 0.0 0 0.0 0 0.0 0 0.0 8 43
58 A 63 ASN N S t < TS+ 0 0 -85.3 -14.6 -179.4 44.3 77.2 53.4 55 -2.3 0 0.0 0 0.0 0 0.0 6 40
59 A 64 VAL V S S S+ 0 0 -127.9 62.4 178.5 175.3 76.1 119.7 0 0.0 0 0.0 0 0.0 0 0.0 11 51
60 A 65 PRO P + 0 0 -61.2 158.1 179.4 173.3 5.1 104.4 0 0.0 0 0.0 0 0.0 0 0.0 9 58
61 A 66 TYR Y - 0 0 -153.6 173.5 172.0 -112.7 29.1 159.6 0 0.0 0 0.0 0 0.0 0 0.0 10 65
62 A 67 TRP W t > T - 0 0 -109.2 159.0 179.1 -82.7 49.3 141.0 0 0.0 65 -1.9 0 0.0 0 0.0 10 63
63 A 68 GLU E T T 3 TS+ 0 0 -59.1 138.0 -179.6 32.6 115.7 106.6 0 0.0 154 -0.5 0 0.0 0 0.0 14 66
64 A 69 GLY G T T 3 TS+ 0 0 97.9 -15.7 179.3 114.7 93.4 76.0 0 0.0 0 0.0 0 0.0 0 0.0 16 64
65 A 70 GLN Q e < T - 0 0 -81.4 177.5 176.6 -130.0 56.3 104.4 62 -1.9 90 -3.4 0 0.0 0 0.0 15 59
66 A 71 SER S E E BEF - 148 89 -123.8 154.0 170.4 -141.9 2.3 156.8 148 -2.9 148 -2.6 0 0.0 0 0.0 12 66
67 A 72 TYR Y E E B*F - 0 88 -105.4 149.0 175.1 -136.7 20.1 146.7 88 -2.1 88 -2.4 0 0.0 0 0.0 13 69
68 A 73 GLY G E E BEF - 145 87 -102.9 144.3 178.4 -159.7 16.8 144.2 145 -2.7 145 -2.3 0 0.0 0 0.0 13 55
69 A 74 VAL V E E BEF - 144 86 -123.8 133.7 177.8 -155.5 6.2 173.1 86 -2.3 86 -2.5 0 0.0 0 0.0 13 60
70 A 75 ILE I E E BE - 143 0 -109.8 112.3 -178.3 -143.0 18.6 163.0 143 -2.0 143 -0.6 0 0.0 0 0.0 15 45
71 A 76 PRO P - 0 0 -72.8 155.2 -179.0 -100.2 26.6 117.3 0 0.0 83 -0.5 0 0.0 0 0.0 12 46
72 A 77 PRO P S S S+ 0 0 -69.3 162.8 -178.7 61.0 81.0 103.8 0 0.0 0 0.0 0 0.0 0 0.0 6 40
73 A 78 GLY G S S S- 0 0 112.8 -179.0 179.3 -62.9 87.5 128.5 0 0.0 83 -0.6 0 0.0 0 0.0 6 29
74 A 79 GLU E B B C - 82 0 -109.5 149.2 178.8 -90.1 59.0 149.2 0 0.0 0 0.0 0 0.0 0 0.0 10 21
75 A 80 ASN N t > T - 0 0 -57.5 118.9 -177.8 -125.8 39.0 114.5 81 -3.1 78 -2.8 0 0.0 0 0.0 11 22
76 A 81 PRO P T T 3 TS+ 0 0 -38.4 -26.0 -178.9 19.7 106.8 46.6 0 0.0 0 0.0 0 0.0 0 0.0 6 21
77 A 82 LYS K T T 3 TS+ 0 0 -142.2 36.2 176.7 74.0 110.3 92.5 0 0.0 0 0.0 0 0.0 0 0.0 4 12
78 A 83 LYS K S t X TS- 0 0 -142.7 52.5 -177.4 -143.0 78.3 106.0 75 -2.8 81 -2.8 0 0.0 0 0.0 8 13
79 A 84 PRO P T T 3 TS+ 0 0 -20.3 132.2 179.1 9.7 84.4 72.3 0 0.0 0 0.0 0 0.0 0 0.0 7 12
80 A 85 GLY G T T 3 TS+ 0 0 70.9 -5.8 178.8 114.8 107.7 69.3 0 0.0 0 0.0 0 0.0 0 0.0 6 13
81 A 86 ALA A t < T - 0 0 -95.5 152.2 177.7 -111.5 68.3 130.5 78 -2.8 75 -3.1 0 0.0 0 0.0 7 18
82 A 87 PRO P B B C - 74 0 -77.7 156.1 178.3 -88.3 41.8 114.6 0 0.0 0 0.0 0 0.0 0 0.0 10 29
83 A 88 GLN Q - 0 0 -58.3 151.9 178.3 -100.2 52.6 99.9 73 -0.6 0 0.0 71 -0.5 0 0.0 11 33
84 A 89 ASN N - 0 0 -71.3 157.7 174.2 -95.0 43.3 115.1 0 0.0 0 0.0 0 0.0 0 0.0 7 36
85 A 90 VAL V - 0 0 -70.2 142.6 170.2 -154.5 31.7 117.2 0 0.0 0 0.0 0 0.0 0 0.0 10 42
86 A 91 ARG R E E BF - 69 0 -112.3 137.4 179.3 -136.3 16.3 165.6 69 -2.5 69 -2.3 0 0.0 0 0.0 8 45
87 A 92 LEU L E E BF - 68 0 -95.7 142.6 179.2 -174.2 19.4 133.0 0 0.0 0 0.0 0 0.0 0 0.0 8 57
88 A 93 TYR Y E E BF - 67 0 -136.1 127.4 179.1 -121.1 27.7 171.8 67 -2.4 67 -2.1 0 0.0 0 0.0 11 67
89 A 94 SER S E E BF - 66 0 -63.8 136.8 178.3 -112.2 36.3 114.9 0 0.0 107 -0.5 0 0.0 0 0.0 13 68
90 A 95 ILE I B e D - 106 0 -74.7 132.9 -173.7 -163.9 26.1 121.2 65 -3.4 0 0.0 0 0.0 0 0.0 17 70
91 A 96 ALA A + 0 0 -98.8 5.7 -178.9 68.9 64.8 72.2 105 -2.8 0 0.0 0 0.0 0 0.0 14 68
92 A 97 SER S S S S- 0 0 -119.3 167.3 175.6 -105.6 84.7 140.6 105 -0.5 0 0.0 0 0.0 0 0.0 16 63
93 A 98 THR T t > T - 0 0 -80.9 177.6 177.8 -89.6 48.9 111.6 0 0.0 96 -1.1 0 0.0 0 0.0 15 64
94 A 99 ARG R T T 3 TS+ 0 0 -59.5 -20.1 179.2 51.6 131.1 42.2 0 0.0 0 0.0 0 0.0 0 0.0 11 69
95 A 100 TYR Y T T 3>TS- 0 0 -89.9 -19.9 177.6 -146.8 105.5 46.6 0 0.0 101 -2.4 0 0.0 100 -1.0 15 57
96 A 101 GLY G T T X5T - 0 0 78.2 173.2 -172.2 -53.9 34.1 89.5 93 -1.1 99 -2.2 0 0.0 0 0.0 13 61
97 A 102 ASP D T T 35TS+ 0 0 -67.5 -16.9 177.5 49.9 135.8 52.2 0 0.0 0 0.0 0 0.0 0 0.0 11 54
98 A 103 ASN N T T 35TS- 0 0 -103.1 11.7 175.0 -126.4 105.9 76.1 0 0.0 0 0.0 0 0.0 0 0.0 8 38
99 A 104 PHE F T T <5TS+ 0 0 58.8 25.6 -176.7 100.8 83.2 47.7 96 -2.2 8 -1.6 0 0.0 0 0.0 9 41
100 A 105 ASP D S t T - 0 0 -66.9 121.3 -177.1 -144.5 26.6 122.1 120 -4.1 119 -2.9 0 0.0 0 0.0 9 15
116 A 121 PRO P T T 4 TS+ 0 0 -53.8 -41.1 179.9 40.2 96.1 28.1 0 0.0 0 0.0 0 0.0 0 0.0 6 12
117 A 122 GLU E T T 4 TS+ 0 0 -75.9 -48.8 -174.8 24.3 130.6 24.1 0 0.0 0 0.0 0 0.0 0 0.0 5 9
118 A 123 THR T T T 4 TS- 0 0 -99.0 0.0 -178.0 -133.3 93.4 63.1 0 0.0 0 0.0 0 0.0 0 0.0 6 9
119 A 124 GLY G t < T + 0 0 59.9 11.7 -179.7 152.4 55.6 46.9 115 -2.9 0 0.0 0 0.0 0 0.0 7 14
120 A 125 LYS K - 0 0 -83.7 134.9 -178.5 -128.4 43.5 126.5 0 0.0 115 -4.1 0 0.0 0 0.0 8 14
121 A 126 GLU E B B E - 114 0 -73.5 150.7 174.9 -166.1 16.7 118.3 0 0.0 0 0.0 0 0.0 0 0.0 8 20
122 A 127 ASP D g > T - 0 0 -141.8 96.5 -178.6 -167.0 5.2 143.1 113 -2.1 125 -3.3 0 0.0 0 0.0 9 19
123 A 128 PRO P G G > TS+ 0 0 -53.9 -23.1 -178.4 68.6 85.9 45.4 0 0.0 126 -0.9 0 0.0 0 0.0 7 20
124 A 129 SER S G G 3 TS+ 0 0 -74.7 -14.0 178.8 44.6 105.3 46.1 0 0.0 0 0.0 0 0.0 0 0.0 4 20
125 A 130 LYS K G G < TS+ 0 0 -104.5 1.4 178.5 114.6 87.4 65.6 122 -3.3 0 0.0 0 0.0 0 0.0 7 21
126 A 131 ASN N S g < TS- 0 0 -64.3 161.7 -178.9 -88.7 82.5 100.0 123 -0.9 0 0.0 0 0.0 0 0.0 10 29
127 A 132 GLY G h > T - 0 0 -77.8 135.5 -173.3 -146.0 37.0 124.4 111 -3.1 131 -1.1 0 0.0 0 0.0 10 37
128 A 133 VAL V H H > TS+ 0 0 -69.7 -53.3 -173.0 39.1 86.2 17.5 0 0.0 132 -1.9 0 0.0 0 0.0 7 38
129 A 134 CYS C H H > TS+ 0 0 -69.3 -41.4 -176.8 51.5 114.2 24.5 0 0.0 133 -2.6 0 0.0 0 0.0 10 48
130 A 135 SER S H H > TS+ 0 0 -65.0 -38.5 -178.4 43.7 113.7 24.8 0 0.0 134 -2.5 0 0.0 0 0.0 11 50
131 A 136 ASN N H H X TS+ 0 0 -74.2 -36.1 178.5 53.0 112.1 26.2 127 -1.1 135 -1.7 0 0.0 0 0.0 11 42
132 A 137 PHE F H H < TS+ 0 0 -60.6 -43.3 -179.5 48.1 112.1 21.6 128 -1.9 0 0.0 0 0.0 0 0.0 9 53
133 A 138 LEU L H H < > TS+ 0 0 -64.5 -51.5 -177.9 43.4 113.4 16.9 129 -2.6 136 -1.4 0 0.0 0 0.0 9 56
134 A 139 CYS C H H < 3 TS+ 0 0 -73.1 -14.7 173.1 55.0 112.8 43.0 130 -2.5 0 0.0 0 0.0 0 0.0 12 47
135 A 140 ASN N T h < 3 TS+ 0 0 -86.9 -6.6 -176.2 112.3 86.6 57.9 131 -1.7 0 0.0 0 0.0 0 0.0 6 42
136 A 141 SER S t < T - 0 0 -66.1 160.5 177.5 -157.3 50.6 100.5 133 -1.4 0 0.0 0 0.0 0 0.0 9 41
137 A 142 LYS K t > T - 0 0 -131.9 165.4 178.8 -69.4 37.4 158.3 0 0.0 140 -2.4 0 0.0 0 0.0 9 26
138 A 143 PRO P T T 3 TS+ 0 0 -55.9 135.4 179.9 25.9 120.9 100.9 0 0.0 0 0.0 0 0.0 0 0.0 9 27
139 A 144 GLY G T T 3 TS+ 0 0 94.2 -16.0 176.8 130.5 87.4 82.1 33 -3.1 0 0.0 0 0.0 0 0.0 7 25
140 A 145 ASP D e < T - 0 0 -66.9 151.3 -179.8 -126.4 55.8 109.2 137 -2.4 33 -3.1 0 0.0 0 0.0 8 30
141 A 146 LYS K E E BB - 32 0 -98.3 152.2 -179.7 -166.8 22.3 139.2 0 0.0 0 0.0 0 0.0 0 0.0 8 36
142 A 147 ILE I E E BB - 31 0 -137.8 143.8 177.8 -128.2 21.0 170.4 31 -2.4 31 -2.8 0 0.0 144 -0.7 11 57
143 A 148 GLN Q E E BBE - 30 70 -96.1 116.5 -177.3 -167.9 33.3 147.4 70 -0.6 70 -2.0 0 0.0 0 0.0 11 52
144 A 149 LEU L E E BBE + 29 69 -111.1 143.5 175.9 179.9 13.0 147.7 29 -3.1 29 -2.9 142 -0.7 0 0.0 13 58
145 A 150 THR T E E B E - 0 68 -129.2 168.5 178.3 -4.4 40.1 145.6 68 -2.3 68 -2.7 0 0.0 0 0.0 16 50
146 A 151 GLY G E E BA* - 23 0 108.1 -156.3 0.3 -132.4 38.7 138.8 23 -2.6 23 -2.3 0 0.0 0 0.0 13 49
147 A 152 PRO P E E B * + 0 0 -74.2 168.3 -178.6 175.8 52.3 52.4 0 0.0 21 -3.8 0 0.0 0 0.0 16 55
148 A 153 SER S E E B E + 0 66 -135.2 160.5 171.9 58.1 23.1 158.5 66 -2.6 66 -2.9 0 0.0 0 0.0 10 42
149 A 154 GLY G - 0 0 99.9 141.9 176.5 -170.2 27.3 74.8 0 0.0 0 0.0 0 0.0 0 0.0 10 40
150 A 155 LYS K S t > TS+ 0 0 -134.7 -13.3 -177.3 87.0 71.3 70.2 0 0.0 153 -1.5 0 0.0 0 0.0 7 37
151 A 156 ILE I T T 3 TS+ 0 0 -61.0 -36.9 -175.8 41.0 94.1 26.6 0 0.0 0 0.0 0 0.0 0 0.0 8 44
152 A 157 MET M T T 3 TS+ 0 0 -100.1 24.6 178.0 134.1 78.2 82.5 0 0.0 0 0.0 0 0.0 0 0.0 13 56
153 A 158 LEU L t < T - 0 0 -70.0 145.7 -176.5 -111.4 64.1 116.2 150 -1.5 0 0.0 0 0.0 0 0.0 10 52
154 A 159 LEU L - 0 0 -83.1 126.5 177.8 -129.5 21.9 135.1 63 -0.5 156 -0.6 0 0.0 0 0.0 7 61
155 A 160 PRO P + 0 0 -75.0 113.4 -174.2 170.4 35.1 128.2 0 0.0 0 0.0 0 0.0 0 0.0 5 48
156 A 161 GLU E + 0 0 -106.1 -1.8 -176.0 101.6 45.6 61.5 154 -0.6 0 0.0 0 0.0 0 0.0 6 44
157 A 162 GLU E S S S+ 0 0 -56.7 -33.0 177.3 43.2 88.3 30.4 0 0.0 0 0.0 0 0.0 0 0.0 4 25
158 A 163 ASP D t > T - 0 0 -115.6 106.8 -179.9 -169.6 68.9 152.2 0 0.0 161 -1.8 0 0.0 0 0.0 6 25
159 A 164 PRO P T T 3 TS+ 0 0 -70.7 -4.6 176.3 53.9 89.1 57.0 0 0.0 193 -2.6 0 0.0 194 -0.9 10 29
160 A 165 ASN N T T 3 TS+ 0 0 -111.4 18.0 178.2 128.6 82.9 80.9 0 0.0 0 0.0 0 0.0 0 0.0 8 33
161 A 166 ALA A e < T - 0 0 -65.3 168.0 177.1 -115.7 60.3 97.1 158 -1.8 195 -1.1 0 0.0 0 0.0 11 41
162 A 167 THR T E E Cg - 195 0 -107.9 134.2 -177.0 -170.1 27.8 155.4 0 0.0 261 -2.7 0 0.0 0 0.0 11 49
163 A 168 HIS H E E Cgh - 196 261 -130.2 117.0 -179.3 -168.4 5.9 168.0 195 -2.7 197 -2.8 0 0.0 165 -0.6 11 64
164 A 169 ILE I E E Cgh - 197 262 -109.4 118.7 -170.9 -165.1 12.6 159.2 261 -2.9 263 -2.4 0 0.0 166 -0.5 12 63
165 A 170 MET M E E Cgh - 198 263 -114.9 121.6 -176.8 -172.8 7.7 157.8 197 -3.5 199 -3.2 163 -0.6 167 -0.5 12 68
166 A 171 ILE I E E Cgh + 199 264 -119.0 118.0 -176.8 165.8 15.5 163.6 263 -2.7 265 -2.0 164 -0.5 0 0.0 13 71
167 A 172 ALA A E E Cgh - 200 265 -128.3 157.1 166.5 -162.4 24.6 165.8 199 -2.6 201 -2.6 165 -0.5 0 0.0 14 68
168 A 173 THR T E E Cg > T - 201 0 -132.0 138.6 175.5 -37.9 66.0 172.0 265 -1.4 171 -2.2 0 0.0 0 0.0 14 63
169 A 174 GLY G G e > TS+ 0 0 55.1 -132.8 -176.6 1.6 132.2 99.6 201 -1.9 172 -1.7 0 0.0 0 0.0 11 64
170 A 175 THR T G T > TS+ 0 0 -67.1 -5.4 179.9 89.5 112.0 57.1 0 0.0 173 -2.0 0 0.0 0 0.0 11 64
171 A 176 GLY G G T < TS+ 0 0 -67.2 -10.0 179.0 76.5 70.0 50.4 168 -2.2 0 0.0 0 0.0 0 0.0 13 64
172 A 177 VAL V G h > < TS+ 0 0 -70.3 -17.6 -173.6 93.1 71.2 45.2 169 -1.7 176 -1.9 0 0.0 0 0.0 15 72
173 A 178 ALA A H H > < TS+ 0 0 -45.5 -59.7 -178.8 42.0 83.6 28.4 170 -2.0 177 -1.4 0 0.0 0 0.0 13 68
174 A 179 PRO P H H > TS+ 0 0 -60.3 -33.6 -177.8 57.7 112.7 32.0 0 0.0 178 -2.4 0 0.0 0 0.0 15 71
175 A 180 PHE F H H > TS+ 0 0 -69.1 -31.7 173.2 57.3 98.7 33.0 0 0.0 179 -2.8 0 0.0 0 0.0 11 72
176 A 181 ARG R H H X TS+ 0 0 -61.1 -41.2 177.4 45.5 110.9 22.2 172 -1.9 180 -1.8 0 0.0 0 0.0 12 71
177 A 182 GLY G H H X TS+ 0 0 -69.8 -40.4 178.4 49.6 112.5 23.0 173 -1.4 181 -1.7 0 0.0 0 0.0 14 67
178 A 183 TYR Y H H X TS+ 0 0 -61.7 -47.3 -172.5 48.8 112.1 18.3 174 -2.4 182 -2.5 0 0.0 0 0.0 12 72
179 A 184 LEU L H H X >TS+ 0 0 -66.5 -35.4 177.4 51.0 108.1 31.6 175 -2.8 183 -2.6 0 0.0 184 -0.6 10 72
180 A 185 ARG R H H X >TS+ 0 0 -66.7 -34.2 -179.9 48.9 112.7 28.7 176 -1.8 185 -2.6 0 0.0 184 -1.2 11 62
181 A 186 ARG R H H < 5TS+ 0 0 -70.7 -39.2 -177.9 43.5 115.7 25.5 177 -1.7 0 0.0 0 0.0 0 0.0 10 62
182 A 187 MET M H H < 5TS+ 0 0 -72.2 -37.1 -173.1 8.7 135.5 30.8 178 -2.5 0 0.0 0 0.0 0 0.0 10 62
183 A 188 PHE F H H < 5TS+ 0 0 -117.2 -31.5 -171.9 40.9 125.5 42.4 179 -2.6 0 0.0 0 0.0 0 0.0 10 57
184 A 189 MET M T h < T - 0 0 -109.3 101.3 -174.8 -162.8 23.4 152.8 185 -1.5 190 -1.9 0 0.0 0 0.0 10 40
188 A 193 PRO P T T 3 TS+ 0 0 -55.6 -36.4 -176.9 49.8 85.0 32.8 0 0.0 0 0.0 0 0.0 0 0.0 5 29
189 A 194 ASN N T T 3 TS+ 0 0 -89.9 7.3 175.8 51.0 110.2 68.0 0 0.0 0 0.0 0 0.0 0 0.0 5 30
190 A 195 TYR Y t < T + 0 0 -143.2 94.3 -179.1 169.0 61.2 138.8 187 -1.9 192 -0.7 0 0.0 0 0.0 8 40
191 A 196 ARG R - 0 0 -109.9 101.8 -175.2 -148.4 24.8 151.3 0 0.0 0 0.0 0 0.0 0 0.0 8 34
192 A 197 PHE F + 0 0 -74.0 129.2 176.8 157.2 32.9 120.0 190 -0.7 0 0.0 0 0.0 0 0.0 8 38
193 A 198 GLY G + 0 0 -133.4 16.3 -179.7 90.6 48.2 80.6 159 -2.6 0 0.0 0 0.0 0 0.0 8 38
194 A 199 GLY G S S S- 0 0 -87.9 -147.5 177.1 -79.1 83.7 76.5 159 -0.9 0 0.0 0 0.0 0 0.0 9 39
195 A 200 LEU L E E Cg - 162 0 -125.1 129.1 178.4 -172.3 35.0 173.4 161 -1.1 163 -2.7 0 0.0 0 0.0 12 48
196 A 201 ALA A E E Cgi - 163 225 -118.7 129.7 -178.7 -173.1 6.5 170.1 224 -2.5 226 -1.9 0 0.0 0 0.0 12 59
197 A 202 TRP W E E Cgi - 164 226 -130.4 119.2 -177.2 -163.1 4.3 165.4 163 -2.8 165 -3.5 0 0.0 199 -0.5 11 61
198 A 203 LEU L E E Cgi - 165 227 -107.4 128.9 173.0 -171.8 5.6 152.0 226 -2.5 228 -2.8 0 0.0 0 0.0 13 66
199 A 204 PHE F E E Cgi - 166 228 -113.0 127.0 -179.0 -171.5 11.2 166.8 165 -3.2 167 -2.6 197 -0.5 0 0.0 15 63
200 A 205 LEU L E E Cgi - 167 229 -128.1 122.8 178.3 -164.7 8.8 166.1 228 -2.6 230 -2.4 0 0.0 202 -0.5 14 64
201 A 206 GLY G E E Cgi + 168 230 -107.5 126.2 175.9 153.9 22.0 155.5 167 -2.6 169 -1.9 0 0.0 0 0.0 13 59
202 A 207 VAL V E E C i - 0 231 -139.1 169.1 -179.0 -105.7 51.7 155.7 230 -2.4 232 -2.4 200 -0.5 0 0.0 13 53
203 A 208 ALA A S S S- 0 0 -64.0 -50.7 179.3 -28.0 89.3 21.1 0 0.0 233 -2.3 0 0.0 0 0.0 11 46
204 A 209 ASN N S g > TS- 0 0 -157.1 -179.8 -178.4 -77.1 72.9 163.5 0 0.0 207 -2.3 0 0.0 0 0.0 12 37
205 A 210 SER S G G > TS+ 0 0 -51.3 -44.3 -179.3 54.4 124.4 32.0 0 0.0 208 -1.6 0 0.0 0 0.0 9 36
206 A 211 ASP D G G 3 TS+ 0 0 -69.6 -12.1 -179.2 57.9 104.2 55.4 0 0.0 41 -2.4 0 0.0 0 0.0 9 33
207 A 212 SER S G G < TS+ 0 0 -98.8 2.9 -179.5 121.7 76.7 70.5 204 -2.3 0 0.0 0 0.0 0 0.0 13 44
208 A 213 LEU L g < T - 0 0 -66.0 139.8 -176.6 -146.2 53.4 114.4 205 -1.6 0 0.0 0 0.0 0 0.0 9 55
209 A 214 LEU L S S S- 0 0 -118.3 127.3 178.0 -12.4 70.2 162.1 0 0.0 0 0.0 0 0.0 0 0.0 8 59
210 A 215 TYR Y S h > TS+ 0 0 61.5 25.6 -178.6 151.7 80.4 43.5 0 0.0 214 -2.1 0 0.0 0 0.0 8 54
211 A 216 ASP D H H > T + 0 0 -54.5 -39.8 -179.5 54.6 66.3 27.1 0 0.0 215 -3.2 0 0.0 0 0.0 7 48
212 A 217 GLU E H H > TS+ 0 0 -63.3 -39.5 179.7 48.9 108.4 26.7 0 0.0 216 -1.9 0 0.0 0 0.0 6 29
213 A 218 GLU E H H > TS+ 0 0 -66.4 -47.8 -175.0 43.1 114.6 20.6 0 0.0 217 -1.0 0 0.0 0 0.0 7 38
214 A 219 PHE F H H X > TS+ 0 0 -67.0 -40.5 178.3 55.0 111.5 20.6 210 -2.1 218 -1.1 0 0.0 217 -0.8 9 45
215 A 220 THR T H H X > TS+ 0 0 -57.5 -43.3 178.5 58.0 102.7 17.4 211 -3.2 218 -1.3 0 0.0 219 -1.1 9 33
216 A 221 SER S H H X 3 TS+ 0 0 -58.1 -32.3 -178.4 58.3 97.8 31.1 212 -1.9 220 -1.5 0 0.0 0 0.0 8 30
217 A 222 TYR Y H H X < TS+ 0 0 -67.8 -27.3 -179.4 64.3 97.4 38.4 213 -1.0 221 -2.8 214 -0.8 0 0.0 11 40
218 A 223 LEU L H H < < TS+ 0 0 -60.2 -37.0 -177.4 42.8 105.9 29.0 215 -1.3 0 0.0 214 -1.1 0 0.0 11 29
219 A 224 LYS K H H < TS+ 0 0 -82.0 -28.7 -179.8 40.9 120.4 37.3 215 -1.1 0 0.0 0 0.0 0 0.0 7 21
220 A 225 GLN Q H H < TS+ 0 0 -90.7 -28.0 -178.1 26.2 127.0 39.0 216 -1.5 0 0.0 0 0.0 0 0.0 6 29
221 A 226 TYR Y h X > T + 0 0 -129.7 60.3 -176.7 158.2 66.7 117.6 217 -2.8 224 -1.9 0 0.0 225 -1.4 9 32
222 A 227 PRO P T T 4 3 TS+ 0 0 -58.2 -23.7 178.4 48.7 78.0 39.5 0 0.0 0 0.0 0 0.0 0 0.0 9 24
223 A 228 ASP D T T 4 3 TS+ 0 0 -93.2 -7.4 -177.5 37.0 117.7 59.2 0 0.0 0 0.0 0 0.0 0 0.0 5 25
224 A 229 ASN N T e 4 < TS+ 0 0 -124.8 -0.4 -177.3 54.8 109.2 58.9 221 -1.9 196 -2.5 0 0.0 0 0.0 9 38
225 A 230 PHE F E E Ci > T - 202 0 -107.8 110.6 -173.6 -156.8 8.2 157.0 0 0.0 234 -1.6 0 0.0 235 -1.1 13 39
232 A 237 SER S T e 4 3 TS+ 0 0 -63.1 -16.0 179.4 35.1 90.7 48.2 202 -2.4 0 0.0 230 -0.7 0 0.0 12 35
233 A 238 ARG R T T 4 3 TS+ 0 0 -126.6 27.5 -179.0 37.6 124.0 89.2 203 -2.3 0 0.0 0 0.0 0 0.0 8 27
234 A 239 GLU E T T 4 < TS+ 0 0 -158.4 8.6 -179.4 79.3 101.2 72.2 231 -1.6 0 0.0 0 0.0 0 0.0 10 26
235 A 240 GLN Q t < T 0 0 -137.5 158.4 174.8 999.9 999.9 161.3 231 -1.1 239 -1.1 0 0.0 0 0.0 8 26
236!A 241 LYS K 0 0 -31.8 999.9 999.9 999.9 999.9 34.1 0 0.0 0 0.0 0 0.0 0 0.0 5 24
237!A 246 GLY G 0 0 999.9 130.4 179.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 18
238 A 247 LYS K - 0 0 -69.7 -179.4 -179.6 -73.7 999.9 93.1 0 0.0 240 -0.6 0 0.0 0 0.0 8 22
239 A 248 MET M + 0 0 -95.6 114.8 175.6 162.8 51.0 134.4 235 -1.1 0 0.0 0 0.0 0 0.0 13 32
240 A 249 TYR Y h > > T - 0 0 -113.1 169.9 -178.0 -101.3 52.1 140.2 238 -0.6 244 -1.1 0 0.0 243 -1.0 10 48
241 A 250 VAL V H H > > TS+ 0 0 -59.4 -37.2 178.7 61.0 118.9 28.9 0 0.0 245 -2.4 0 0.0 244 -0.6 14 57
242 A 251 GLN Q H H > 3 TS+ 0 0 -60.6 -31.6 -180.0 58.9 98.2 30.1 0 0.0 246 -2.0 0 0.0 0 0.0 9 54
243 A 252 ASP D H H > < TS+ 0 0 -66.7 -35.3 -179.0 47.3 106.1 26.7 240 -1.0 247 -2.0 0 0.0 0 0.0 10 42
244 A 253 LYS K H H X < TS+ 0 0 -72.1 -38.1 178.4 52.4 109.5 25.4 240 -1.1 248 -1.5 241 -0.6 0 0.0 13 46
245 A 254 ILE I H H < TS+ 0 0 -63.4 -32.0 -177.2 53.8 107.8 29.0 241 -2.4 0 0.0 0 0.0 0 0.0 10 51
246 A 255 GLU E H H < > TS+ 0 0 -66.6 -40.9 -179.9 58.2 102.0 18.3 242 -2.0 249 -2.2 0 0.0 0 0.0 10 41
247 A 256 GLU E H H < 3 TS+ 0 0 -54.7 -35.6 -176.8 33.2 116.5 32.2 243 -2.0 0 0.0 0 0.0 0 0.0 6 35
248 A 257 TYR Y T h X 3 TS+ 0 0 -109.8 26.7 -172.3 129.7 80.5 86.7 244 -1.5 252 -2.2 0 0.0 0 0.0 8 36
249 A 258 SER S H H > < T + 0 0 -54.2 -38.6 -180.0 52.6 67.9 32.0 246 -2.2 253 -2.9 0 0.0 0 0.0 9 39
250 A 259 ASP D H H > TS+ 0 0 -62.3 -44.9 179.5 45.8 111.9 21.8 0 0.0 254 -2.1 0 0.0 0 0.0 6 30
251 A 260 GLU E H H > TS+ 0 0 -60.6 -49.9 -177.6 49.4 113.9 19.2 0 0.0 255 -3.2 0 0.0 0 0.0 7 33
252 A 261 ILE I H H X TS+ 0 0 -58.3 -47.4 179.9 48.0 111.4 24.1 248 -2.2 256 -2.9 0 0.0 0 0.0 9 52
253 A 262 PHE F H H X TS+ 0 0 -61.8 -36.0 -178.8 51.2 111.1 27.2 249 -2.9 257 -2.4 0 0.0 0 0.0 8 47
254 A 263 LYS K H H X TS+ 0 0 -66.8 -43.8 178.0 48.0 111.1 15.9 250 -2.1 258 -1.5 0 0.0 0 0.0 8 32
255 A 264 LEU L H H < >TS+ 0 0 -63.2 -39.7 -177.6 50.5 110.9 25.6 251 -3.2 260 -2.2 0 0.0 0 0.0 10 39
256 A 265 LEU L H H < >5TS+ 0 0 -67.7 -35.7 -179.4 53.8 107.3 24.6 252 -2.9 259 -1.7 0 0.0 0 0.0 11 44
257 A 266 ASP D H H < 35TS+ 0 0 -66.1 -25.4 178.5 55.6 105.8 36.3 253 -2.4 0 0.0 0 0.0 0 0.0 7 35
258 A 267 GLY G T h < 35TS- 0 0 -87.2 5.0 174.5 -89.0 131.2 70.9 254 -1.5 0 0.0 0 0.0 0 0.0 6 27
259 A 268 GLY G T T <5T + 0 0 105.5 8.2 -178.9 162.4 67.4 54.1 256 -1.7 0 0.0 0 0.0 0 0.0 9 37
260 A 269 ALA A t T - 0 307 -67.6 126.1 -177.5 -133.4 60.5 114.8 0 0.0 270 -2.7 0 0.0 0 0.0 10 39
268 A 277 LYS K G e > TS+ 0 0 -49.9 -28.0 -180.0 74.6 100.9 39.0 307 -3.4 271 -1.9 0 0.0 0 0.0 7 28
269 A 278 GLY G G T 3 TS+ 0 0 -59.6 -17.5 -177.1 68.4 83.5 48.4 0 0.0 0 0.0 0 0.0 0 0.0 5 29
270 A 279 MET M G h > < TS+ 0 0 -76.3 -23.5 -173.5 72.7 85.2 41.5 267 -2.7 274 -1.4 0 0.0 0 0.0 9 42
271 A 280 MET M H H > < TS+ 0 0 -63.3 -47.4 -178.1 54.3 86.1 25.5 268 -1.9 275 -2.7 0 0.0 0 0.0 7 38
272 A 281 PRO P H H > TS+ 0 0 -54.3 -45.6 179.0 48.2 110.1 20.6 0 0.0 276 -2.7 0 0.0 0 0.0 7 28
273 A 282 GLY G H H > TS+ 0 0 -60.5 -43.5 -179.4 48.9 112.7 23.0 0 0.0 277 -2.4 0 0.0 0 0.0 8 35
274 A 283 ILE I H H X TS+ 0 0 -64.5 -47.2 178.7 49.4 110.5 17.1 270 -1.4 278 -2.8 0 0.0 0 0.0 10 49
275 A 284 GLN Q H H X TS+ 0 0 -62.1 -35.0 178.8 52.5 110.3 25.5 271 -2.7 279 -2.1 0 0.0 0 0.0 8 41
276 A 285 ASP D H H X TS+ 0 0 -66.0 -40.5 179.8 47.4 110.6 21.0 272 -2.7 280 -2.2 0 0.0 0 0.0 8 28
277 A 286 THR T H H X TS+ 0 0 -63.4 -45.8 -176.6 51.0 109.9 24.4 273 -2.4 281 -2.5 0 0.0 0 0.0 11 37
278 A 287 LEU L H H X TS+ 0 0 -63.5 -39.0 -178.9 50.3 110.0 25.2 274 -2.8 282 -2.4 0 0.0 0 0.0 10 46
279 A 288 LYS K H H X TS+ 0 0 -64.0 -43.2 -178.1 48.7 111.1 19.9 275 -2.1 283 -2.4 0 0.0 0 0.0 11 32
280 A 289 LYS K H H X TS+ 0 0 -62.6 -39.1 179.3 49.6 111.8 23.8 276 -2.2 284 -2.0 0 0.0 0 0.0 8 32
281 A 290 VAL V H H X TS+ 0 0 -63.9 -45.0 -178.6 49.0 110.8 20.8 277 -2.5 285 -1.5 0 0.0 0 0.0 10 34
282 A 291 ALA A H H X >TS+ 0 0 -59.9 -44.0 -176.4 54.4 108.7 22.5 278 -2.4 287 -3.2 0 0.0 286 -0.6 11 36
283 A 292 GLU E H H < >5TS+ 0 0 -59.7 -40.3 -179.1 53.3 104.7 24.9 279 -2.4 286 -1.2 0 0.0 0 0.0 10 22
284 A 293 ARG R H H < 35TS+ 0 0 -64.1 -32.9 -178.6 47.7 110.2 33.5 280 -2.0 0 0.0 0 0.0 0 0.0 7 21
285 A 294 ARG R H H < 35TS- 0 0 -82.2 -11.3 -176.4 -110.3 120.6 60.8 281 -1.5 0 0.0 0 0.0 0 0.0 6 25
286 A 295 GLY G T h < <5TS+ 0 0 84.0 29.6 179.4 126.7 77.0 39.3 283 -1.2 0 0.0 282 -0.6 0 0.0 6 17
287 A 296 GLU E t T - 0 0 -98.3 117.3 -178.4 -160.1 16.4 154.2 0 0.0 292 -2.1 0 0.0 0 0.0 9 23
289 A 298 TRP W H H > TS+ 0 0 -63.4 -39.0 -178.9 58.0 91.3 21.1 287 -0.6 293 -3.5 0 0.0 0 0.0 10 35
290 A 299 ASP D H H > TS+ 0 0 -57.4 -42.4 -179.1 43.9 108.4 23.6 0 0.0 294 -2.1 0 0.0 0 0.0 7 26
291 A 300 GLN Q H H > TS+ 0 0 -71.6 -35.7 -178.2 51.2 113.3 26.5 0 0.0 295 -1.7 0 0.0 0 0.0 7 26
292 A 301 LYS K H H X TS+ 0 0 -64.2 -44.6 179.5 49.8 110.6 21.1 288 -2.1 296 -2.7 0 0.0 0 0.0 9 39
293 A 302 LEU L H H X TS+ 0 0 -61.2 -38.8 178.3 53.8 106.4 24.2 289 -3.5 297 -2.7 0 0.0 0 0.0 8 39
294 A 303 ALA A H H X TS+ 0 0 -63.5 -37.7 -179.2 48.5 111.1 22.6 290 -2.1 298 -2.5 0 0.0 0 0.0 8 25
295 A 304 GLN Q H H X TS+ 0 0 -69.7 -41.0 179.5 50.5 109.1 21.5 291 -1.7 299 -2.2 0 0.0 0 0.0 8 26
296 A 305 LEU L H H < >TS+ 0 0 -65.1 -35.5 179.2 48.4 112.6 24.3 292 -2.7 301 -2.6 0 0.0 302 -0.6 11 37
297 A 306 LYS K H H < >5TS+ 0 0 -68.3 -43.1 -179.5 51.1 110.2 17.6 293 -2.7 300 -1.8 0 0.0 0 0.0 9 24
298 A 307 LYS K H H < 35TS+ 0 0 -60.3 -35.0 -176.4 47.4 111.7 30.7 294 -2.5 0 0.0 0 0.0 0 0.0 7 20
299 A 308 ASN N T h < 35TS- 0 0 -88.1 3.1 -179.9 -120.0 112.4 66.4 295 -2.2 0 0.0 0 0.0 0 0.0 6 23
300 A 309 LYS K T T <5TS+ 0 0 64.1 39.0 -179.4 123.8 77.1 31.2 297 -1.8 0 0.0 0 0.0 0 0.0 8 34
301 A 310 GLN Q e 5555< 5-turns
3-turns >>><<< >33< >33< >33< >33< >33X33< >33X33< 3-turns
bridge-2 CC*CCCC DDDDDDD FFFF bridge-2
bridge-1 aa AB B BBBB CCCCCC E*EEE C C FFFFD bridge-1
sheets AA BBBBBBBBBB BBBBBBB BBBBB BBBB sheets
4-turns 4-turns
summary SSEEeSgGGGGg SS SBBTTB EEEEEEEEEEeStTTtSSeEEEEEEEeTTtS tTTeEEEEE SSBtTTtTTtB EEEEe StTTTTTTt summary
sequence SRSKVSVAPLHLESAKEPPLNTYKPKEPFTATIVSVESLVGPKAPGETCHIVIDHGGNVPYWEGQSYGVIPPGENPKKPGAPQNVRLYSIASTRYGDNFD sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand SSEEEEEEE B TTT B GGGS HHHHHHHT TT EEEEEEEE STT S TT EEEEEEEGGGGHHHHHHHHHHHTEE TT SEEEEEE Kabs/Sand
chirality ++----------+--++-+---+++--++++++++--++----+--++-+++--+++-++-----+--++++++++++++++++-+-+++-++------- chirality
bends SS SSS SSSS SSSSSSSS SS SSS S SS SSSSSSSSSSSSSSSSS SS S bends
turns TTTTT TTTTTTTTTTTTTTTTTTT TTTT TTTT TTTTTTTTTTTTTTTTTT TTTT turns
5-turns >>555<< 5-turns
3-turns >>3<< >33<>33< >33< >33< >>><<< >33< 3-turns
bridge-2 D EEE**E hhhhh iiiii bridge-2
bridge-1 DDDDDDD E E BBBB A ggggggg aa gggggg bridge-1
sheets BBBBBBB BBBBBBBB CCCCCCC AA CCCCCC sheets
4-turns >444< >>>>X<<<< >>>>XXXXX<<<< 4-turns
summary SeEEEEEEEe BtTTTt BgGGGghHHHHHHHhttTTeEEEEEEEE tTTt StTTeEEEEEEEeTThHHHHHHHHHHHhEEtTTt SEEEEEE summary
sequence GRTGSLCVRRAVYYDPETGKEDPSKNGVCSNFLCNSKPGDKIQLTGPSGKIMLLPEEDPNATHIMIATGTGVAPFRGYLRRMFMEDVPNYRFGGLAWLFL sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EESSGGG SSHHHHHHHHHH TTTEEEEEEETTT HHHHHHHTHHHHHHHHHTT EEEEEEEGGGHHHHHHHHHHHHHHHT HHHHHHHHHHTT Kabs/Sand
chirality +---+++--+++++++++++++++--+----+++ -+-+++++++++++++++++-+----+++-+++++++++++++++++-+--++++++++++-+ chirality
bends SSSSS SS SSSSSSSSS SSS SSS SSSSSSSS SSSSSSSSS S SSSSSSSSSSSSSSSSSSS SSSSSSSSSSSS bends
turns TTTTT TTTTTTTTTTTTTTTT TTTTT TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555 5-turns
3-turns >>3<< >>3<< >33< >33< >>3<< >33< >33< >>3<< >33< >33< 3-turns
bridge-2 ii jjjjjj bridge-2
bridge-1 g iiiiiii hhhhh bridge-1
sheets CC CCCCCCC CCCCCCC sheets
4-turns >>>>XXXX<<444< >>>>X<<>>XXX<<<< >>>>XXXXXXXXX<<<< >>>>XXXX<<<< 4-turns
summary EESgGGGgShHHHHHHHHHHhTTeEEEEEEEeTTt hHHHHHHHhHHHHHHHHHhTtEEEEEEEeThHHHHHHHHHHHHHHHhthHHHHHHHHHHhT summary
sequence GVANSDSLLYDEEFTSYLKQYPDNFRYDKALSREQKGKMYVQDKIEEYSDEIFKLLDGGAHIYFCGLKGMMPGIQDTLKKVAERRGESWDQKLAQLKKNK sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand EEEEEE Kabs/Sand
chirality +++++ chirality
bends bends
turns T turns
5-turns < 5-turns
3-turns 3-turns
bridge-2 bridge-2
bridge-1 jjjjjj bridge-1
sheets CCCCCC sheets
4-turns 4-turns
summary eEEEEEE summary
sequence QWHVEVY sequence
Messages
chain break between 236(A 241 ) and 237(A 246 )