Secondary structure calculation program - copyright by David Keith Smith, 1989
1gs5A.pdb
1GS5 KINASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 258
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 A MET M 0 0 999.9 131.7 168.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 27
2 A 2 MET M - 0 0 -65.5 164.1 174.8 -80.8 999.9 107.2 0 0.0 0 0.0 0 0.0 0 0.0 6 28
3 A 3 ASN N - 0 0 -63.1 142.2 179.1 -116.9 60.6 122.9 0 0.0 0 0.0 0 0.0 0 0.0 10 35
4 A 4 PRO P e - 0 0 -77.1 168.9 168.1 -128.3 15.2 101.0 0 0.0 175 -2.6 0 0.0 0 0.0 12 54
5 A 5 LEU L E E Aab - 175 38 -112.1 122.2 172.6 -153.7 16.2 171.4 37 -2.4 39 -2.1 0 0.0 7 -0.5 12 59
6 A 6 ILE I E E Aab - 176 39 -91.2 128.9 171.1 -164.5 5.4 150.2 175 -2.9 177 -2.4 0 0.0 8 -0.6 14 72
7 A 7 ILE I E E Aab - 177 40 -105.1 115.4 175.4 -154.1 10.0 167.3 39 -2.5 41 -1.9 5 -0.5 0 0.0 12 73
8 A 8 LYS K E E Aab - 178 41 -94.0 127.1 -177.7 -163.8 9.9 147.6 177 -2.9 179 -2.7 6 -0.6 0 0.0 15 72
9 A 9 LEU L E E Aab + 179 42 -112.6 128.8 175.6 121.9 26.3 151.4 41 -2.5 43 -2.6 0 0.0 0 0.0 12 72
10 A 10 GLY G e > T + 0 0 -158.3 -162.7 179.2 75.5 26.8 160.0 179 -0.7 13 -0.7 0 0.0 0 0.0 14 62
11 A 11 GLY G G G > TS- 0 0 82.8 -161.8 -179.3 -34.8 107.5 116.9 0 0.0 14 -0.6 0 0.0 0 0.0 11 49
12 A 12 VAL V G G > TS+ 0 0 -79.5 15.2 -178.2 111.6 103.6 67.7 0 0.0 15 -1.7 0 0.0 0 0.0 9 40
13 A 13 LEU L G G X TS+ 0 0 -56.2 -43.5 -178.8 57.3 70.8 36.9 10 -0.7 16 -1.9 0 0.0 0 0.0 13 48
14 A 14 LEU L G G < TS+ 0 0 -63.0 -19.6 178.5 60.4 99.0 44.8 11 -0.6 0 0.0 0 0.0 0 0.0 11 49
15 A 15 ASP D G G < TS+ 0 0 -87.4 4.3 -177.2 77.3 94.8 59.2 12 -1.7 17 -0.6 0 0.0 0 0.0 5 37
16 A 16 SER S h > < T - 0 0 -123.0 100.0 175.9 -179.0 50.8 149.5 13 -1.9 20 -2.5 0 0.0 0 0.0 8 29
17 A 17 A GLU E H H > TS+ 0 0 -52.8 -47.6 179.1 51.6 90.7 27.7 15 -0.6 21 -2.5 0 0.0 0 0.0 7 28
18 A 18 GLU E H H > TS+ 0 0 -58.1 -46.3 -179.2 47.0 111.1 18.7 0 0.0 22 -2.4 0 0.0 0 0.0 6 25
19 A 19 ALA A H H > TS+ 0 0 -65.4 -35.8 177.8 51.3 111.8 25.6 0 0.0 23 -2.3 0 0.0 0 0.0 11 35
20 A 20 LEU L H H X TS+ 0 0 -65.4 -44.5 178.2 49.4 110.1 24.9 16 -2.5 24 -3.0 0 0.0 0 0.0 11 46
21 A 21 GLU E H H X TS+ 0 0 -61.0 -47.4 179.5 47.2 112.3 19.7 17 -2.5 25 -2.5 0 0.0 0 0.0 9 36
22 A 22 ARG R H H X TS+ 0 0 -62.9 -34.5 177.1 47.7 114.5 25.6 18 -2.4 26 -1.6 0 0.0 0 0.0 9 36
23 A 23 LEU L H H X TS+ 0 0 -68.5 -49.2 -179.2 48.0 111.5 16.3 19 -2.3 27 -2.0 0 0.0 0 0.0 11 56
24 A 24 PHE F H H X TS+ 0 0 -62.2 -35.5 174.0 56.8 108.4 31.2 20 -3.0 28 -2.3 0 0.0 0 0.0 11 51
25 A 25 SER S H H X TS+ 0 0 -55.1 -47.2 -177.0 44.4 110.2 20.9 21 -2.5 29 -2.3 0 0.0 0 0.0 9 36
26 A 26 ALA A H H X TS+ 0 0 -68.9 -29.2 179.0 52.9 111.2 30.4 22 -1.6 30 -2.4 0 0.0 0 0.0 10 41
27 A 27 LEU L H H X TS+ 0 0 -73.4 -42.6 179.4 49.1 109.2 24.6 23 -2.0 31 -2.9 0 0.0 0 0.0 8 57
28 A 28 VAL V H H X TS+ 0 0 -62.6 -42.7 179.1 48.5 112.7 20.9 24 -2.3 32 -2.3 0 0.0 0 0.0 10 43
29 A 29 ASN N H H < TS+ 0 0 -65.4 -38.5 178.9 47.6 113.0 23.8 25 -2.3 0 0.0 0 0.0 0 0.0 9 31
30 A 30 TYR Y H H X > TS+ 0 0 -64.8 -48.3 -179.2 48.9 112.8 13.2 26 -2.4 33 -1.5 0 0.0 34 -0.6 11 39
31 A 31 ARG R H H < > TS+ 0 0 -58.9 -37.8 -179.1 49.2 110.7 32.0 27 -2.9 34 -0.6 0 0.0 0 0.0 11 41
32 A 32 GLU E T h < 3 TS+ 0 0 -82.2 -1.5 179.7 40.2 118.9 59.3 28 -2.3 0 0.0 0 0.0 0 0.0 6 25
33 A 33 SER S T T 4 < TS+ 0 0 -127.6 12.3 -174.8 59.3 109.0 71.8 30 -1.5 0 0.0 0 0.0 0 0.0 6 22
34 A 34 HIS H t < < T - 0 0 -147.4 135.5 179.0 -152.8 56.5 176.3 31 -0.6 0 0.0 30 -0.6 0 0.0 7 29
35 A 35 GLN Q + 0 0 -79.1 -23.1 -179.3 105.9 69.9 46.5 0 0.0 0 0.0 0 0.0 0 0.0 6 28
36 A 36 ARG R S S S- 0 0 -62.9 129.0 -177.8 -122.6 76.9 126.0 0 0.0 0 0.0 0 0.0 0 0.0 10 38
37 A 37 PRO P e - 0 0 -81.2 135.8 -178.1 -135.6 22.5 110.7 0 0.0 5 -2.4 0 0.0 0 0.0 13 47
38 A 38 LEU L E E Ab - 5 0 -91.9 138.9 169.9 -177.2 19.7 132.0 0 0.0 0 0.0 0 0.0 0 0.0 11 62
39 A 39 VAL V E E Ab - 6 0 -127.8 136.5 175.4 -151.0 13.3 168.0 5 -2.1 7 -2.5 0 0.0 0 0.0 12 73
40 A 40 A ILE I E E Abc - 7 144 -107.2 132.2 167.5 -175.8 11.1 157.8 143 -2.7 145 -3.0 0 0.0 0 0.0 12 77
41 A 41 VAL V E E Abc - 8 145 -114.0 143.7 -178.0 -169.4 16.9 167.7 7 -1.9 9 -2.5 0 0.0 0 0.0 15 73
42 A 42 HIS H E E Ab - 9 0 -138.9 151.7 170.7 -169.0 22.3 164.0 145 -2.2 0 0.0 0 0.0 0 0.0 14 74
43 A 43 GLY G e - 0 0 -103.3 -130.8 -174.4 -170.9 2.9 80.3 9 -2.6 0 0.0 0 0.0 0 0.0 15 72
44 A 44 GLY G h > > T + 0 0 143.3 24.2 178.7 155.7 21.5 56.1 0 0.0 48 -1.7 0 0.0 47 -0.8 13 59
45 A 45 GLY G H H > 3 TS+ 0 0 -44.1 -38.0 -176.5 57.4 78.0 30.1 0 0.0 49 -2.9 0 0.0 0 0.0 9 62
46 A 46 CYS C H H > 3 TS+ 0 0 -66.5 -38.1 176.5 52.5 102.6 27.6 0 0.0 50 -2.1 0 0.0 0 0.0 8 45
47 A 47 VAL V H H > < TS+ 0 0 -61.5 -45.2 175.1 46.3 112.7 25.9 44 -0.8 51 -1.5 0 0.0 0 0.0 12 47
48 A 48 VAL V H H X TS+ 0 0 -59.6 -49.4 -176.1 51.9 110.6 21.7 44 -1.7 52 -3.0 0 0.0 0 0.0 11 53
49 A 49 ASP D H H X TS+ 0 0 -61.0 -32.7 178.2 50.7 109.4 34.8 45 -2.9 53 -2.5 0 0.0 0 0.0 9 39
50 A 50 GLU E H H X TS+ 0 0 -70.7 -36.5 -177.9 44.1 112.6 29.9 46 -2.1 54 -2.3 0 0.0 0 0.0 8 31
51 A 51 LEU L H H X TS+ 0 0 -78.0 -34.8 174.9 49.1 115.8 29.8 47 -1.5 55 -0.6 0 0.0 0 0.0 9 31
52 A 52 MET M H H X >TS+ 0 0 -67.8 -39.3 177.7 52.3 109.9 29.7 48 -3.0 57 -2.6 0 0.0 56 -0.7 11 32
53 A 53 LYS K H H < >5TS+ 0 0 -58.4 -47.5 -179.7 49.6 108.5 20.3 49 -2.5 56 -1.3 0 0.0 0 0.0 9 19
54 A 54 GLY G H H < 35TS+ 0 0 -66.9 -15.9 179.1 48.0 113.6 48.2 50 -2.3 0 0.0 0 0.0 0 0.0 7 17
55 A 55 LEU L H H < 35TS- 0 0 -101.8 -6.7 -179.7 -118.9 111.7 59.9 51 -0.6 0 0.0 0 0.0 0 0.0 6 20
56 A 56 A ASN N T h < <5T + 0 0 70.4 38.3 -179.8 146.4 63.4 35.8 53 -1.3 0 0.0 52 -0.7 0 0.0 6 16
57 A 57 LEU L t TS- 65 0 -114.0 101.8 -179.1 -18.9 79.5 154.8 65 -3.5 65 -1.0 0 0.0 0 0.0 8 29
63 A 63 ASN N T T 3 TS- 0 0 68.4 42.2 178.4 -49.2 130.5 23.6 61 -0.7 0 0.0 0 0.0 0 0.0 6 34
64 A 64 GLY G T T 3 TS+ 0 0 80.7 -3.6 179.4 106.1 118.8 73.8 0 0.0 0 0.0 0 0.0 0 0.0 10 38
65 A 65 LEU L E E BD < TS- 62 0 -109.2 139.1 -179.1 -116.5 74.3 148.9 62 -1.0 62 -3.5 0 0.0 0 0.0 10 51
66 A 66 ARG R E E BD - 61 0 -76.0 117.6 171.7 -124.2 25.4 124.6 0 0.0 0 0.0 0 0.0 0 0.0 10 55
67 A 67 VAL V e - 0 0 -57.8 130.5 -173.0 -163.3 30.1 118.2 60 -2.8 0 0.0 0 0.0 0 0.0 13 43
68 A 68 THR T B B a - 120 0 -129.2 88.2 178.2 -161.1 1.6 138.3 119 -2.8 121 -3.1 0 0.0 0 0.0 11 49
69 A 69 PRO P h > > T - 0 0 -64.0 163.4 -180.0 -109.0 34.1 98.8 0 0.0 72 -2.3 0 0.0 73 -1.2 9 35
70 A 70 ALA A H H > 3 TS+ 0 0 -63.7 -28.5 -179.7 58.1 120.8 27.7 0 0.0 74 -0.5 0 0.0 0 0.0 8 29
71 A 71 ASP D H H 4 3 TS+ 0 0 -84.6 5.6 -177.7 40.1 111.4 60.3 0 0.0 0 0.0 0 0.0 0 0.0 5 28
72 A 72 GLN Q H H > < TS+ 0 0 -125.3 -14.6 -173.0 86.6 89.2 62.6 69 -2.3 76 -2.4 0 0.0 0 0.0 8 41
73 A 73 ILE I H H X TS+ 0 0 -64.3 -37.3 -178.3 51.5 89.9 26.6 69 -1.2 77 -2.9 0 0.0 0 0.0 13 47
74 A 74 ASP D H H X TS+ 0 0 -66.8 -42.2 -179.3 44.3 113.0 22.0 70 -0.5 78 -2.1 0 0.0 0 0.0 8 35
75 A 75 ILE I H H > TS+ 0 0 -68.9 -42.6 179.4 48.3 115.0 26.0 0 0.0 79 -2.3 0 0.0 0 0.0 7 42
76 A 76 ILE I H H X TS+ 0 0 -64.2 -40.5 177.9 51.8 110.8 20.6 72 -2.4 80 -2.7 0 0.0 0 0.0 10 58
77 A 77 THR T H H X >TS+ 0 0 -61.0 -42.4 -177.5 51.6 108.5 25.3 73 -2.9 81 -1.6 0 0.0 82 -1.0 12 54
78 A 78 GLY G H H X >TS+ 0 0 -60.5 -43.4 -177.6 44.0 113.5 16.0 74 -2.1 83 -2.5 0 0.0 82 -1.0 9 43
79 A 79 ALA A H H < >TS+ 0 0 -70.0 -40.3 -174.9 28.3 126.7 25.8 75 -2.3 84 -2.8 0 0.0 0 0.0 13 48
80 A 80 LEU L H H < >TS+ 0 0 -90.2 -56.8 179.7 33.4 129.8 19.9 76 -2.7 85 -1.3 0 0.0 0 0.0 17 61
81 A 81 ALA A H H < 5TS+ 0 0 -71.7 -23.3 -179.5 27.7 134.8 40.9 77 -1.6 0 0.0 0 0.0 0 0.0 13 53
82 A 82 GLY G T h X >TS+ 0 0 -64.5 -43.9 -178.6 48.2 110.1 11.2 88 -2.2 97 -2.4 0 0.0 95 -0.9 12 47
93 A 93 LYS K H H < >5TS+ 0 0 -64.8 -44.5 -176.5 56.4 106.9 22.0 89 -2.6 96 -2.9 0 0.0 0 0.0 10 27
94 A 94 LYS K H H < 35TS+ 0 0 -53.7 -35.3 179.2 46.7 110.0 45.2 90 -2.9 0 0.0 0 0.0 0 0.0 7 26
95 A 95 HIS H T h < <5TS- 0 0 -91.8 16.1 174.3 -109.2 120.1 83.7 91 -1.4 0 0.0 92 -0.9 0 0.0 9 29
96 A 96 A GLN Q T T <5T + 0 0 62.9 24.5 176.7 145.6 69.3 40.2 93 -2.9 0 0.0 0 0.0 0 0.0 6 25
97 A 97 ILE I t T - 0 0 -116.9 179.5 -168.9 -90.0 46.0 137.1 0 0.0 106 -1.5 0 0.0 0 0.0 11 66
104 A 104 LEU L T T 3 TS+ 0 0 -64.4 -23.1 -178.6 58.5 121.2 32.0 148 -2.3 110 -1.9 0 0.0 0 0.0 15 66
105 A 105 GLY G T g > TS+ 0 0 -82.8 -15.1 179.9 106.7 76.0 45.8 0 0.0 108 -2.3 0 0.0 0 0.0 12 51
106 A 106 ASP D G G X TS- 0 0 -68.2 125.2 -172.5 -3.8 103.0 118.4 103 -1.5 109 -1.5 0 0.0 0 0.0 8 42
107 A 107 GLY G G G 3 TS- 0 0 65.0 17.7 -176.6 -85.4 116.3 47.4 0 0.0 0 0.0 0 0.0 0 0.0 9 36
108 A 108 ASP D G G < TS+ 0 0 49.2 43.1 -173.5 162.4 79.0 28.8 105 -2.3 129 -2.7 0 0.0 0 0.0 9 42
109 A 109 SER S e < T + 0 0 -66.8 -36.3 177.8 18.3 65.6 30.0 106 -1.5 128 -1.2 0 0.0 0 0.0 16 54
110 A 110 VAL V E E CF S- 127 0 -137.2 126.0 178.2 -133.4 81.7 172.3 104 -1.9 0 0.0 0 0.0 0 0.0 16 56
111 A 111 LYS K E E CF - 126 0 -80.1 133.0 -179.0 -166.5 25.5 127.0 126 -2.0 126 -2.7 0 0.0 0 0.0 14 51
112 A 112 VAL V E E CF + 125 0 -130.1 136.5 174.9 169.2 13.8 168.4 150 -0.5 0 0.0 0 0.0 0 0.0 12 46
113 A 113 THR T E E CF - 124 0 -131.8 164.4 177.4 -79.2 49.5 155.6 124 -1.6 124 -2.8 0 0.0 0 0.0 11 40
114 A 114 GLN Q E E CF - 123 0 -65.5 118.3 -179.0 -162.1 38.7 123.4 0 0.0 0 0.0 0 0.0 0 0.0 12 40
115 A 115 LEU L e - 0 0 -71.6 -42.0 -172.9 -11.1 65.3 25.2 122 -2.7 0 0.0 0 0.0 0 0.0 8 37
116 A 116 ASP D g > > T - 0 0 -162.4 129.3 179.7 -135.2 49.2 155.6 0 0.0 119 -2.0 0 0.0 120 -0.8 7 29
117 A 117 A GLU E G G 4 > TS+ 0 0 -61.6 -22.4 179.2 63.7 107.3 36.0 0 0.0 120 -0.8 0 0.0 0 0.0 7 23
118 A 118 GLU E G G 4 3 TS+ 0 0 -71.8 -17.1 178.0 46.6 105.5 46.8 0 0.0 0 0.0 0 0.0 0 0.0 5 24
119 A 119 LEU L G G 4 < TS- 0 0 -99.6 -12.4 -179.4 -151.2 96.3 54.7 116 -2.0 68 -2.8 0 0.0 0 0.0 13 32
120 A 120 GLY G B B < a < TS+ 68 0 80.7 -140.4 -175.6 6.8 71.7 125.1 117 -0.8 122 -1.8 116 -0.8 0 0.0 11 39
121 A 121 HIS H S S S+ 0 0 -80.2 51.3 172.3 131.7 91.1 112.2 68 -3.1 158 -2.8 0 0.0 0 0.0 15 43
122 A 122 VAL V B e b - 158 0 -100.6 129.8 -179.2 -139.3 47.3 158.1 120 -1.8 115 -2.7 0 0.0 0 0.0 15 55
123 A 123 GLY G E E CF - 114 0 -95.5 151.8 167.7 -140.3 10.3 135.2 158 -2.3 125 -0.6 0 0.0 0 0.0 13 59
124 A 124 LEU L E E CF - 113 0 -98.6 120.9 -179.7 -146.9 30.1 156.0 113 -2.8 113 -1.6 0 0.0 0 0.0 9 52
125 A 125 ALA A E E CF + 112 0 -92.9 137.1 175.7 169.9 23.5 142.1 123 -0.6 0 0.0 0 0.0 0 0.0 12 56
126 A 126 GLN Q E E CF - 111 0 -139.2 163.0 -174.7 -73.1 44.4 153.0 111 -2.7 111 -2.0 0 0.0 0 0.0 9 47
127 A 127 PRO P E E CF + 110 0 -61.9 146.6 175.9 172.8 52.9 101.3 0 0.0 0 0.0 0 0.0 0 0.0 11 45
128 A 128 GLY G e - 0 0 -123.9 -138.0 -179.2 -38.5 41.4 95.0 109 -1.2 0 0.0 0 0.0 0 0.0 11 41
129 A 129 SER S - 0 0 -100.2 131.5 -179.8 -162.8 32.8 149.5 108 -2.7 0 0.0 0 0.0 0 0.0 10 35
130 A 130 PRO P h > T + 0 0 -84.6 1.1 -168.8 99.1 66.3 67.0 0 0.0 134 -3.0 0 0.0 0 0.0 10 43
131 A 131 LYS K H H > TS+ 0 0 -63.7 -48.1 -177.8 43.3 82.1 28.2 0 0.0 135 -2.1 0 0.0 0 0.0 8 33
132 A 132 LEU L H H > TS+ 0 0 -62.0 -48.4 -179.2 42.4 118.8 14.3 0 0.0 136 -2.2 0 0.0 0 0.0 10 36
133 A 133 ILE I H H > TS+ 0 0 -67.8 -37.7 175.0 53.5 112.6 23.3 0 0.0 137 -2.8 0 0.0 0 0.0 10 52
134 A 134 ASN N H H X TS+ 0 0 -59.4 -41.5 177.9 50.1 109.6 30.1 130 -3.0 138 -2.6 0 0.0 0 0.0 9 43
135 A 135 SER S H H X TS+ 0 0 -62.1 -43.8 179.7 47.5 111.1 26.8 131 -2.1 139 -1.3 0 0.0 0 0.0 8 30
136 A 136 LEU L H H < >TS+ 0 0 -63.0 -43.4 -179.3 49.8 113.4 23.2 132 -2.2 141 -2.3 0 0.0 0 0.0 11 36
137 A 137 LEU L H H < >5TS+ 0 0 -62.9 -45.2 -178.9 50.6 108.7 22.3 133 -2.8 140 -1.6 0 0.0 0 0.0 11 43
138 A 138 A GLU E H H < 35TS+ 0 0 -65.7 -22.2 -179.1 53.2 108.9 41.5 134 -2.6 0 0.0 0 0.0 0 0.0 8 28
139 A 139 ASN N T h < 35TS- 0 0 -93.6 4.1 172.5 -104.7 123.4 73.1 135 -1.3 0 0.0 0 0.0 0 0.0 6 24
140 A 140 GLY G T T <5TS+ 0 0 88.5 19.3 176.9 136.2 72.2 58.9 137 -1.6 0 0.0 0 0.0 0 0.0 7 32
141 A 141 TYR Y t T - 0 0 -80.3 164.7 178.4 -104.0 35.1 114.6 155 -2.4 154 -2.1 0 0.0 0 0.0 12 36
152 A 152 ASP D T T 3 TS+ 0 0 -59.7 -21.5 179.8 57.8 122.3 37.9 0 0.0 0 0.0 0 0.0 0 0.0 6 27
153 A 153 GLU E T T 3 TS- 0 0 -90.5 0.7 178.0 -102.3 123.8 63.1 0 0.0 0 0.0 0 0.0 0 0.0 5 16
154 A 154 GLY G S t < TS+ 0 0 94.2 15.1 179.5 140.2 72.1 40.2 151 -2.1 156 -0.5 0 0.0 0 0.0 6 26
155 A 155 GLN Q e - 0 0 -98.7 129.9 178.0 -125.9 50.3 150.8 0 0.0 151 -2.4 0 0.0 0 0.0 8 37
156 A 156 LEU L E E DG - 150 0 -68.5 147.6 -177.1 -160.1 28.5 113.5 154 -0.5 0 0.0 0 0.0 0 0.0 11 48
157 A 157 MET M E E DG - 149 0 -135.6 139.5 174.3 -137.5 17.0 168.8 149 -2.7 149 -2.5 0 0.0 159 -0.7 15 57
158 A 158 ASN N E E DGb - 148 122 -94.2 118.0 177.3 -169.1 26.6 141.5 121 -2.8 123 -2.3 0 0.0 0 0.0 14 70
159 A 159 VAL V e - 0 0 -109.0 133.6 176.1 -110.6 30.1 154.7 147 -2.1 0 0.0 157 -0.7 0 0.0 13 70
160 A 160 ASN N h > T - 0 0 -59.1 139.3 -171.1 -129.9 31.8 116.7 0 0.0 164 -2.2 0 0.0 0 0.0 10 75
161 A 161 ALA A H H > TS+ 0 0 -73.5 -24.9 173.3 56.6 103.0 37.3 0 0.0 165 -2.7 0 0.0 0 0.0 13 75
162 A 162 ASP D H H > TS+ 0 0 -66.6 -42.1 176.7 44.7 111.2 23.0 0 0.0 166 -2.2 0 0.0 0 0.0 13 69
163 A 163 GLN Q H H > TS+ 0 0 -68.5 -35.6 176.8 52.4 112.2 28.3 0 0.0 167 -2.2 0 0.0 0 0.0 12 71
164 A 164 ALA A H H X TS+ 0 0 -65.2 -39.1 178.6 49.8 109.6 20.6 160 -2.2 168 -2.6 0 0.0 0 0.0 15 76
165 A 165 ALA A H H X TS+ 0 0 -64.8 -37.5 177.3 50.3 110.0 27.2 161 -2.7 169 -2.8 0 0.0 0 0.0 12 75
166 A 166 THR T H H X TS+ 0 0 -65.5 -42.2 179.1 48.8 110.8 20.1 162 -2.2 170 -2.4 0 0.0 0 0.0 13 68
167 A 167 ALA A H H X TS+ 0 0 -63.9 -41.0 177.5 48.2 112.4 24.2 163 -2.2 171 -2.2 0 0.0 0 0.0 14 65
168 A 168 LEU L H H X TS+ 0 0 -68.3 -31.5 177.4 56.1 107.5 27.1 164 -2.6 172 -2.4 0 0.0 0 0.0 13 71
169 A 169 ALA A H H X >TS+ 0 0 -65.3 -39.0 176.9 46.4 109.6 21.7 165 -2.8 174 -1.7 0 0.0 173 -1.6 14 63
170 A 170 ALA A H H < 5TS+ 0 0 -66.8 -37.7 179.0 52.3 111.0 16.6 166 -2.4 0 0.0 0 0.0 0 0.0 12 50
171 A 171 THR T H H < 5TS+ 0 0 -62.2 -40.9 -175.3 31.5 121.2 28.2 167 -2.2 0 0.0 0 0.0 0 0.0 13 48
172 A 172 LEU L H H < 5TS- 0 0 -96.4 -5.7 -174.4 -120.5 103.4 62.3 168 -2.4 0 0.0 0 0.0 0 0.0 10 53
173 A 173 GLY G T h < 5T + 0 0 67.8 33.9 -173.9 164.7 61.2 30.9 169 -1.6 0 0.0 0 0.0 0 0.0 9 45
174 A 174 ALA A t T - 0 0 -84.3 -171.2 -174.7 -75.3 46.4 102.3 191 -2.3 190 -2.5 0 0.0 0 0.0 10 32
188 A 188 GLY G T T 3 TS+ 0 0 -63.5 -20.8 179.2 49.4 133.3 47.1 0 0.0 0 0.0 0 0.0 0 0.0 6 22
189 A 189 LYS K T T 3 TS- 0 0 -101.2 9.3 179.5 -103.7 121.4 74.6 0 0.0 0 0.0 0 0.0 0 0.0 5 17
190 A 190 GLY G S t < TS+ 0 0 75.0 22.6 176.5 139.7 76.6 45.1 187 -2.5 0 0.0 0 0.0 0 0.0 6 21
191 A 191 GLN Q - 0 0 -101.8 145.6 -179.6 -98.0 59.9 140.0 0 0.0 187 -2.3 0 0.0 0 0.0 7 22
192 A 192 ARG R B B C - 186 0 -55.2 135.4 171.1 -143.2 27.5 101.7 0 0.0 194 -0.6 0 0.0 0 0.0 11 33
193 A 193 ILE I - 0 0 -98.5 119.7 -169.7 -158.0 9.9 154.1 185 -2.8 0 0.0 0 0.0 0 0.0 11 38
194 A 194 ALA A e + 0 0 -74.0 -39.8 -177.5 20.4 69.7 27.1 192 -0.6 255 -2.7 0 0.0 0 0.0 9 36
195 A 195 GLU E E E Ai - 255 0 -134.2 150.6 -175.2 -164.0 64.6 166.2 0 0.0 0 0.0 0 0.0 0 0.0 8 37
196 A 196 MET M E E Ai - 256 0 -140.6 132.4 174.1 -179.9 6.4 166.1 255 -2.7 257 -3.1 0 0.0 0 0.0 11 48
197 A 197 THR T h > T - 0 0 -115.7 171.3 175.2 -104.6 44.3 148.6 0 0.0 201 -2.4 0 0.0 0 0.0 10 39
198 A 198 ALA A H H > TS+ 0 0 -64.6 -36.3 -179.3 52.9 121.3 27.8 0 0.0 202 -2.5 0 0.0 0 0.0 9 37
199 A 199 ALA A H H > TS+ 0 0 -64.0 -46.8 -178.6 46.0 111.2 30.4 0 0.0 203 -2.1 0 0.0 0 0.0 6 26
200 A 200 LYS K H H > TS+ 0 0 -63.3 -41.9 178.4 50.8 111.6 23.4 0 0.0 204 -2.8 0 0.0 0 0.0 8 33
201 A 201 ALA A H H X TS+ 0 0 -63.7 -40.0 172.0 52.8 108.6 24.7 197 -2.4 205 -1.7 0 0.0 0 0.0 11 43
202 A 202 GLU E H H X TS+ 0 0 -55.9 -44.0 -179.6 48.4 110.5 22.6 198 -2.5 206 -2.4 0 0.0 0 0.0 8 31
203 A 203 GLN Q H H X TS+ 0 0 -63.1 -47.8 179.6 48.6 111.7 22.5 199 -2.1 207 -2.1 0 0.0 0 0.0 8 25
204 A 204 LEU L H H < >TS+ 0 0 -63.4 -30.8 175.6 48.5 111.6 38.9 200 -2.8 209 -2.2 0 0.0 210 -1.5 10 38
205 A 205 A ILE I H H < >5TS+ 0 0 -72.6 -38.4 178.6 52.5 110.0 23.0 201 -1.7 208 -1.5 0 0.0 0 0.0 11 31
206 A 206 GLU E H H < 35TS+ 0 0 -62.9 -35.5 -179.7 50.2 110.0 28.7 202 -2.4 0 0.0 0 0.0 0 0.0 7 20
207 A 207 GLN Q T h < 35TS- 0 0 -84.9 1.1 177.7 -119.0 114.0 65.3 203 -2.1 0 0.0 0 0.0 0 0.0 7 19
208 A 208 GLY G T T <5TS+ 0 0 70.1 19.2 176.0 117.9 82.0 46.9 205 -1.5 0 0.0 0 0.0 0 0.0 7 25
209 A 209 A ILE I t T + 0 0 -142.5 167.8 179.6 0.2 33.6 150.9 209 -0.6 214 -2.1 0 0.0 0 0.0 8 31
212 A 212 ASP D T h > > TS- 0 0 53.6 -129.6 -173.5 -6.7 125.1 106.4 0 0.0 215 -1.0 0 0.0 216 -1.0 8 32
213 A 213 GLY G H H > 3 TS+ 0 0 -71.3 -4.9 -175.3 73.2 126.4 55.2 0 0.0 217 -2.7 0 0.0 0 0.0 9 46
214 A 214 MET M H H > < TS+ 0 0 -78.2 -25.2 178.7 52.4 93.7 30.4 211 -2.1 218 -2.9 0 0.0 0 0.0 10 59
215 A 215 ILE I H H > < TS+ 0 0 -70.9 -42.9 178.0 46.4 111.9 18.7 212 -1.0 219 -1.8 0 0.0 0 0.0 11 46
216 A 216 VAL V H H X TS+ 0 0 -69.8 -41.4 179.8 50.7 112.8 23.9 212 -1.0 220 -2.2 0 0.0 0 0.0 11 50
217 A 217 LYS K H H X TS+ 0 0 -62.0 -51.3 -179.1 44.0 112.5 25.2 213 -2.7 221 -2.3 0 0.0 0 0.0 10 67
218 A 218 VAL V H H X TS+ 0 0 -62.9 -41.1 178.8 50.5 113.2 33.3 214 -2.9 222 -2.9 0 0.0 0 0.0 10 68
219 A 219 ASN N H H X TS+ 0 0 -66.9 -36.3 176.2 50.3 110.8 17.1 215 -1.8 223 -2.2 0 0.0 0 0.0 8 55
220 A 220 ALA A H H X TS+ 0 0 -66.8 -42.2 177.8 47.1 112.7 24.8 216 -2.2 224 -2.1 0 0.0 0 0.0 11 67
221 A 221 ALA A H H X TS+ 0 0 -65.5 -40.9 174.2 49.7 112.0 22.5 217 -2.3 225 -2.5 0 0.0 0 0.0 14 62
222 A 222 LEU L H H X TS+ 0 0 -63.1 -37.2 179.7 51.1 109.2 29.6 218 -2.9 226 -2.3 0 0.0 0 0.0 14 50
223 A 223 ASP D H H X TS+ 0 0 -64.1 -42.4 -179.2 49.9 111.1 20.0 219 -2.2 227 -2.7 0 0.0 0 0.0 9 51
224 A 224 ALA A H H X TS+ 0 0 -63.6 -42.3 178.1 50.4 109.6 22.3 220 -2.1 228 -2.5 0 0.0 0 0.0 15 51
225 A 225 ALA A H H X >TS+ 0 0 -62.9 -41.5 -178.6 43.6 114.1 27.7 221 -2.5 229 -1.8 0 0.0 230 -0.7 14 46
226 A 226 ARG R H H < 5TS+ 0 0 -72.0 -34.2 -177.1 49.0 116.0 28.3 222 -2.3 0 0.0 0 0.0 0 0.0 10 33
227 A 227 THR T H H < 5TS+ 0 0 -72.8 -35.1 179.6 31.3 122.2 32.1 223 -2.7 0 0.0 0 0.0 0 0.0 7 34
228 A 228 LEU L H H < 5TS- 0 0 -92.0 -21.8 -174.1 -130.5 97.5 50.1 224 -2.5 0 0.0 0 0.0 0 0.0 11 34
229 A 229 GLY G T h < 5TS+ 0 0 73.3 23.9 179.9 103.3 75.6 38.2 225 -1.8 0 0.0 0 0.0 0 0.0 8 29
230 A 230 ARG R S t T - 0 0 -107.2 109.1 -176.1 -159.2 61.4 143.6 0 0.0 242 -2.0 0 0.0 0 0.0 7 35
240 A 240 ALA A G G > TS+ 0 0 -46.4 -46.8 -176.4 58.0 87.2 38.0 238 -0.8 243 -1.4 0 0.0 0 0.0 9 34
241 A 241 GLU E G G 3 TS+ 0 0 -66.0 -19.8 -178.3 53.0 104.7 46.3 0 0.0 0 0.0 0 0.0 0 0.0 5 30
242 A 242 GLN Q G h > < TS+ 0 0 -89.4 -12.5 -172.9 83.3 87.2 48.0 239 -2.0 246 -2.0 0 0.0 0 0.0 8 37
243 A 243 LEU L H H > < TS+ 0 0 -62.7 -47.9 -178.8 50.5 85.7 28.9 240 -1.4 247 -2.7 0 0.0 0 0.0 11 47
244 A 244 PRO P H H > TS+ 0 0 -56.2 -49.8 177.3 42.8 114.9 16.8 0 0.0 248 -1.2 0 0.0 0 0.0 10 37
245 A 245 ALA A H H 4 >TS+ 0 0 -61.6 -39.2 175.9 56.8 111.0 26.0 0 0.0 250 -2.0 0 0.0 0 0.0 8 34
246 A 246 LEU L H H < >5TS+ 0 0 -56.7 -52.4 -180.0 47.4 107.4 15.9 242 -2.0 249 -1.7 0 0.0 0 0.0 10 49
247 A 247 PHE F H H < 35TS+ 0 0 -65.5 -18.7 178.0 56.9 108.4 40.3 243 -2.7 0 0.0 0 0.0 0 0.0 8 56
248 A 248 ASN N T h < 35TS- 0 0 -88.3 -9.6 169.6 -93.4 128.4 62.1 244 -1.2 0 0.0 0 0.0 0 0.0 7 41
249 A 249 GLY G T T <5TS+ 0 0 119.5 -3.7 179.6 143.1 74.4 72.9 246 -1.7 0 0.0 0 0.0 0 0.0 6 39
250 A 250 MET M t 5555< >>>>5<<<< >5555< 5-turns
3-turns >>>X<<< >>3<< >33< >33< >33< >33< >>3<< 3-turns
bridge-2 bbbbb cc bridge-2
bridge-1 aaaaa bbbbb DD DD a ee bridge-1
sheets AAAAA AAAAA BB BB AA sheets
4-turns >>>>XXXXXXXXX>>>XXXXX<<<< >>4>XX>XXX<<>>XXXXXX<<<< 4-turns
summary eEEEEEeGGGGGhHHHHHHHHHHHHHHHhTt SeEEEEEehHHHHHHHHHHHht eEETTEEeBhHHHHHHHHHHHHhHHHHHHHHHHHHhTteEE summary
sequence MMNPLIIKLGGVLLDSEEALERLFSALVNYRESHQRPLVIVHGGGCVVDELMKGLNLPVKKKNGLRVTPADQIDIITGALAGTANKTLLAWAKKHQIAAV sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EE TTGGG EEEEE GGGBSBEEEEE HHHHHHHHTT EEEE SEEE TTS EEE HHHHHHHHHHHHT EEEEEESSSS B TTS B EE HHH Kabs/Sand
chirality +--++--++--+----++-++---+-+--+++++++++-+------++---+-+------+++++++++++-+-----+-+------+-+---+---+++ chirality
bends SSSSS S SSSSS SSSSSSSSSS S SSS SSSSSSSSSSSS SSSS SSS SSS bends
turns TTTTTTT TTTTT TTTTTTTTTTTT TTTT TTTTTTTTTTTTTTT TTTT TTTT turns
5-turns >5555< >5555< 5-turns
3-turns >3>X3<< >>3<< >33< >33< >33< 3-turns
bridge-2 eeee b hhhh bridge-2
bridge-1 ee FFFFF a bFFFFF cc GGG GGG aaaaa C C ii bridge-1
sheets AA CCCCC CCCCC AAAA DDD DDD AAAAAA AA sheets
4-turns >444< >>>>XX<<<< >>>>XXXXXX<<<< >>>> 4-turns
summary EEtTgGGGeEEEEEegGGGBSeEEEEEe hHHHHHHHHhTtEEEEeeEEEeTTteEEEehHHHHHHHHHHHHhtEEEEEESSSS BtTTt B eEEhHHH summary
sequence GLFLGDGDSVKVTQLDEELGHVGLAQPGSPKLINSLLENGYLPVVSSIGVTDEGQLMNVNADQAATALAATLGADLILLSDVSGILDGKGQRIAEMTAAK sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHTT S THHHHHHHHHHHHHHHHTS EEEEESS GGGHHHHHTT SSEEE Kabs/Sand
chirality ++++++-++++-+++++++++++++++-+----+--++-++++++++-+-++---- chirality
bends SSSSSSSS S SSSSSSSSSSSSSSSSSSS SS SSSSSSSSSS SS bends
turns TTTTTTTTT TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >33< >>3<< >>3<< >33< 3-turns
bridge-2 JJJ JJJ bridge-2
bridge-1 hhhh ii bridge-1
sheets AAAAA AAA sheets
4-turns XXX<<<< >>>>XXXXXXXXXX<<<< >>>4<<< 4-turns
summary HHHHHHhTtSthHHHHHHHHHHHHHHHHht EEEEEeSgGGhHHHHHhTt SSEEEe summary
sequence AEQLIEQGIITDGMIVKVNAALDAARTLGRPVDIASWRHAEQLPALFNGMPMGTRILA sequence
210 220 230 240 250