Secondary structure calculation program - copyright by David Keith Smith, 1989
1iciA.pdb
1ICI TRANSCRIPTION MOL_ID: 1; MOL_ID: 1;
Sequence length - 256
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 -10 GLY G t > T 0 0 999.9 -169.5 179.5 999.9 999.9 999.9 0 0.0 4 -0.9 0 0.0 0 0.0 4 13
2 A -9 SER S T T 3 T + 0 0 -72.9 -19.2 178.0 42.5 999.9 45.1 0 0.0 0 0.0 0 0.0 0 0.0 4 8
3 A -8 HIS H T T 3 TS+ 0 0 -105.2 5.9 178.9 52.8 115.6 76.1 0 0.0 0 0.0 0 0.0 0 0.0 4 7
4 A -7 HIS H S t < TS+ 0 0 -133.3 41.7 179.9 166.4 74.7 100.8 1 -0.9 0 0.0 0 0.0 0 0.0 5 11
5 A -6 HIS H - 0 0 -62.5 134.5 175.7 -163.6 18.7 110.6 0 0.0 0 0.0 0 0.0 0 0.0 7 19
6 A -5 HIS H - 0 0 -115.5 130.0 -178.7 -143.6 16.6 168.6 0 0.0 0 0.0 0 0.0 0 0.0 6 23
7 A -4 HIS H - 0 0 -106.5 141.8 -177.4 -172.8 16.9 144.8 0 0.0 0 0.0 0 0.0 0 0.0 6 27
8 A -3 HIS H - 0 0 -125.3 156.5 176.3 -99.5 33.2 150.9 0 0.0 0 0.0 0 0.0 0 0.0 9 33
9 A -2 GLY G B B a - 234 0 -69.8 148.5 -179.6 -170.3 30.8 117.5 233 -2.4 235 -2.3 0 0.0 0 0.0 8 34
10 A -1 SER S + 0 0 -126.4 12.0 -178.8 67.6 55.4 76.0 0 0.0 0 0.0 0 0.0 0 0.0 8 37
11 A 0 HIS H S S S- 0 0 -132.7 166.5 176.9 -104.5 86.8 149.9 0 0.0 13 -1.9 0 0.0 0 0.0 7 35
12 A 1 MET M + 0 0 -83.9 74.7 179.8 156.9 65.5 128.5 0 0.0 0 0.0 0 0.0 0 0.0 7 40
13 A 2 ASP D h > T - 0 0 -95.1 -176.5 -178.1 -95.2 58.3 109.9 11 -1.9 17 -1.8 0 0.0 0 0.0 6 28
14 A 3 GLU E H H > TS+ 0 0 -71.6 -30.6 179.2 56.0 120.9 33.3 0 0.0 18 -2.3 0 0.0 0 0.0 6 27
15 A 4 LYS K H H > TS+ 0 0 -67.3 -39.7 179.4 48.7 108.2 24.5 0 0.0 19 -2.4 0 0.0 0 0.0 6 27
16 A 5 LEU L H H > TS+ 0 0 -61.9 -52.0 -179.8 46.0 113.3 15.9 0 0.0 20 -2.1 0 0.0 0 0.0 10 43
17 A 6 LEU L H H X TS+ 0 0 -59.2 -37.0 179.7 52.8 112.2 28.9 13 -1.8 21 -2.8 0 0.0 0 0.0 12 45
18 A 7 LYS K H H X TS+ 0 0 -67.0 -38.7 -179.9 52.7 106.4 26.7 14 -2.3 22 -2.5 0 0.0 0 0.0 8 37
19 A 8 THR T H H < TS+ 0 0 -64.2 -39.6 179.9 40.8 115.1 25.8 15 -2.4 0 0.0 0 0.0 0 0.0 9 45
20 A 9 ILE I H H < > TS+ 0 0 -74.4 -44.5 -178.9 46.4 117.6 22.6 16 -2.1 23 -0.7 0 0.0 0 0.0 11 58
21 A 10 ALA A H H < 3 TS+ 0 0 -66.8 -35.9 -177.6 41.7 118.2 30.8 17 -2.8 0 0.0 0 0.0 0 0.0 10 44
22 A 11 GLU E T h < 3 TS+ 0 0 -95.8 6.5 -180.0 124.1 85.2 68.9 18 -2.5 0 0.0 0 0.0 0 0.0 6 36
23 A 12 SER S t < T - 0 0 -66.6 145.3 179.3 -155.8 49.2 109.9 20 -0.7 0 0.0 0 0.0 0 0.0 10 40
24 A 13 LYS K S S S+ 0 0 -93.8 -21.8 -179.6 12.8 87.7 45.8 0 0.0 0 0.0 0 0.0 0 0.0 7 34
25 A 14 TYR Y S e S+ 0 0 -157.5 77.0 -179.5 178.0 74.9 116.8 0 0.0 190 -1.3 0 0.0 191 -1.0 11 45
26 A 15 LEU L E E Aab + 191 103 -84.8 133.4 177.7 175.3 6.2 129.6 102 -0.9 104 -3.3 0 0.0 105 -0.6 15 59
27 A 16 VAL V E E Aab - 192 105 -129.7 171.0 179.8 -138.6 16.2 146.3 191 -1.9 193 -2.4 0 0.0 0 0.0 15 65
28 A 17 ALA A E E Aab - 193 106 -135.5 151.2 177.1 -161.0 7.5 164.2 105 -1.9 107 -3.2 0 0.0 0 0.0 13 80
29 A 18 LEU L E E Aab - 194 107 -129.6 118.0 -179.1 -168.6 20.5 169.3 193 -2.9 195 -1.8 0 0.0 0 0.0 12 79
30 A 19 THR T E E Aab - 195 108 -115.3 151.8 179.2 -168.8 8.3 145.6 107 -2.1 109 -2.3 0 0.0 0 0.0 15 76
31 A 20 GLY G e > T - 0 0 -121.1 -179.3 -177.5 -75.8 50.3 130.4 195 -2.1 34 -2.2 0 0.0 0 0.0 12 66
32 A 21 ALA A G G > > TS+ 0 0 -53.8 -22.8 -178.4 74.4 118.8 46.0 0 0.0 35 -1.6 0 0.0 36 -0.7 12 60
33 A 22 GLY G G G 4 3 TS+ 0 0 -64.0 -24.6 -179.0 68.0 83.2 39.6 196 -2.7 0 0.0 0 0.0 0 0.0 14 58
34 A 23 VAL V G G 4 < TS+ 0 0 -68.8 -18.1 179.4 39.4 106.4 47.9 31 -2.2 0 0.0 0 0.0 0 0.0 14 63
35 A 24 SER S T g 4 X>TS+ 0 0 -108.7 -7.4 -179.7 96.0 85.7 62.0 32 -1.6 38 -2.9 0 0.0 40 -1.5 14 61
36 A 25 ALA A G G < >5TS+ 0 0 -52.4 -34.5 -178.7 56.0 83.5 29.0 32 -0.7 39 -1.3 0 0.0 0 0.0 10 49
37 A 26 GLU E G G 35TS+ 0 0 -82.7 9.7 177.4 62.7 98.0 68.6 0 0.0 0 0.0 0 0.0 0 0.0 10 44
38 A 27 SER S G G <5TS- 0 0 -108.7 2.1 -178.8 -90.5 128.6 69.5 35 -2.9 86 -0.7 0 0.0 0 0.0 9 41
39 A 28 GLY G T g <5TS+ 0 0 101.6 4.8 179.8 117.3 96.0 62.1 36 -1.3 0 0.0 0 0.0 0 0.0 8 34
40 A 29 ILE I t T - 0 0 -76.1 -22.3 179.6 -159.4 22.4 43.2 0 0.0 46 -2.6 0 0.0 0 0.0 8 40
44 A 33 ARG R T T 3 TS- 0 0 45.4 40.2 178.1 -48.6 74.9 33.2 0 0.0 0 0.0 0 0.0 0 0.0 4 30
45 A 34 GLY G T T 3 TS+ 0 0 87.9 -7.2 179.5 96.0 120.8 70.0 0 0.0 0 0.0 0 0.0 0 0.0 7 23
46 A 35 LYS K S t < TS- 0 0 -120.6 142.5 -177.9 -129.3 74.2 160.2 43 -2.6 0 0.0 0 0.0 0 0.0 10 21
47 A 36 ASP D - 0 0 -62.7 -16.4 178.4 -138.9 34.7 50.0 53 -1.7 0 0.0 0 0.0 0 0.0 11 33
48 A 37 GLY G S S S+ 0 0 76.8 -9.7 -178.8 63.4 86.8 71.2 0 0.0 0 0.0 0 0.0 0 0.0 6 34
49 A 38 LEU L S S S+ 0 0 -109.6 -62.7 177.6 3.2 124.9 36.9 0 0.0 0 0.0 0 0.0 0 0.0 6 32
50 A 39 TRP W S S S- 0 0 -94.2 -25.9 -178.3 -145.7 90.4 48.3 0 0.0 0 0.0 0 0.0 0 0.0 6 25
51 A 40 ASN N S S S+ 0 0 60.3 41.3 175.0 99.5 71.4 30.7 0 0.0 0 0.0 0 0.0 0 0.0 7 23
52 A 41 ARG R + 0 0 -125.5 -7.4 -179.4 68.2 69.5 64.6 0 0.0 0 0.0 0 0.0 0 0.0 6 19
53 A 42 TYR Y S S S- 0 0 -118.0 148.9 175.1 -124.4 76.6 149.7 0 0.0 47 -1.7 0 0.0 0 0.0 11 25
54 A 43 ARG R g > T - 0 0 -77.3 147.4 -179.6 -112.2 42.0 129.3 0 0.0 57 -2.3 0 0.0 0 0.0 9 24
55 A 44 PRO P G G > > TS+ 0 0 -49.2 -43.5 -179.2 64.5 116.1 25.0 0 0.0 58 -2.5 0 0.0 59 -2.3 10 41
56 A 45 GLU E G G 4 3 TS+ 0 0 -54.3 -20.2 -179.7 65.4 90.7 49.0 0 0.0 0 0.0 0 0.0 0 0.0 8 36
57 A 46 GLU E G G 4 < TS+ 0 0 -78.7 -16.0 -179.9 29.9 114.3 48.9 54 -2.3 0 0.0 0 0.0 0 0.0 8 37
58 A 47 LEU L T g 4 < TS+ 0 0 -109.1 -37.7 179.7 66.3 108.3 42.2 55 -2.5 60 -2.2 0 0.0 0 0.0 11 42
59 A 48 ALA A S t < TS+ 0 0 -84.5 68.2 -174.8 105.0 87.6 119.9 55 -2.3 170 -1.3 0 0.0 0 0.0 11 51
60 A 49 ASN N S h > TS- 0 0 -152.6 138.3 179.9 -134.1 74.0 173.7 58 -2.2 64 -2.3 0 0.0 0 0.0 11 37
61 A 50 PRO P H H > TS+ 0 0 -63.7 -38.8 178.6 51.9 108.2 27.7 0 0.0 65 -2.9 0 0.0 0 0.0 10 37
62 A 51 GLN Q H H > TS+ 0 0 -61.3 -50.5 179.2 46.6 111.8 15.8 0 0.0 66 -2.9 0 0.0 0 0.0 6 24
63 A 52 ALA A H H > TS+ 0 0 -58.3 -41.9 179.6 48.8 113.8 25.7 0 0.0 67 -2.8 0 0.0 0 0.0 12 31
64 A 53 PHE F H H < TS+ 0 0 -65.0 -42.3 179.9 49.4 111.4 24.2 60 -2.3 0 0.0 0 0.0 0 0.0 14 40
65 A 54 ALA A H H < TS+ 0 0 -61.9 -43.8 -178.9 45.9 114.6 21.9 61 -2.9 0 0.0 0 0.0 0 0.0 7 29
66 A 55 LYS K H H < TS+ 0 0 -68.1 -44.5 -179.6 8.2 134.7 23.2 62 -2.9 0 0.0 0 0.0 0 0.0 6 20
67 A 56 ASP D h X > T + 0 0 -142.2 77.4 180.0 171.7 61.8 124.7 63 -2.8 71 -2.0 0 0.0 70 -0.6 8 29
68 A 57 PRO P H H > 3 TS+ 0 0 -52.5 -36.2 -178.4 57.5 82.0 34.7 0 0.0 72 -2.3 0 0.0 0 0.0 10 39
69 A 58 GLU E H H > 3 TS+ 0 0 -66.8 -40.6 179.8 45.0 107.4 26.6 0 0.0 73 -1.9 0 0.0 0 0.0 9 37
70 A 59 LYS K H H > < TS+ 0 0 -68.0 -53.0 179.9 45.7 115.4 13.4 67 -0.6 74 -2.3 0 0.0 0 0.0 8 42
71 A 60 VAL V H H X TS+ 0 0 -57.7 -37.1 178.4 48.6 115.7 26.9 67 -2.0 75 -2.3 0 0.0 0 0.0 12 52
72 A 61 TRP W H H X TS+ 0 0 -71.9 -32.4 177.7 55.4 106.7 35.5 68 -2.3 76 -2.4 0 0.0 0 0.0 13 51
73 A 62 LYS K H H X TS+ 0 0 -65.5 -38.0 179.8 47.9 110.0 23.9 69 -1.9 77 -1.6 0 0.0 0 0.0 9 44
74 A 63 TRP W H H X TS+ 0 0 -66.7 -50.3 179.7 44.9 113.9 15.6 70 -2.3 78 -2.7 0 0.0 0 0.0 10 50
75 A 64 TYR Y H H X TS+ 0 0 -64.7 -32.8 179.2 53.2 110.4 32.9 71 -2.3 79 -3.2 0 0.0 0 0.0 10 60
76 A 65 ALA A H H X TS+ 0 0 -69.0 -35.7 178.3 49.1 110.6 27.7 72 -2.4 80 -2.6 0 0.0 0 0.0 12 50
77 A 66 TRP W H H X TS+ 0 0 -65.4 -48.3 179.5 44.5 114.3 18.8 73 -1.6 81 -1.9 0 0.0 0 0.0 10 41
78 A 67 ARG R H H X TS+ 0 0 -60.7 -46.4 -179.6 52.4 113.3 17.8 74 -2.7 82 -2.7 0 0.0 0 0.0 8 56
79 A 68 MET M H H X TS+ 0 0 -54.4 -54.6 -179.3 49.2 107.7 20.0 75 -3.2 83 -3.2 0 0.0 0 0.0 12 47
80 A 69 GLU E H H X TS+ 0 0 -55.7 -43.5 179.6 47.1 113.4 24.5 76 -2.6 84 -1.5 0 0.0 0 0.0 10 38
81 A 70 LYS K H H X TS+ 0 0 -66.5 -40.1 179.9 46.4 114.4 24.4 77 -1.9 85 -0.8 0 0.0 0 0.0 9 40
82 A 71 VAL V H H < > TS+ 0 0 -65.6 -50.7 -179.4 51.1 111.5 13.4 78 -2.7 85 -1.4 0 0.0 0 0.0 12 47
83 A 72 PHE F H H < 3 TS+ 0 0 -56.3 -30.1 -179.8 43.9 114.9 39.0 79 -3.2 0 0.0 0 0.0 0 0.0 10 37
84 A 73 ASN N H H < 3 TS+ 0 0 -93.6 -6.8 -179.9 94.8 98.3 56.7 80 -1.5 0 0.0 0 0.0 0 0.0 6 32
85 A 74 ALA A h < < T - 0 0 -79.5 165.3 179.2 -133.4 68.5 107.9 82 -1.4 0 0.0 81 -0.8 0 0.0 10 39
86 A 75 GLN Q - 0 0 -122.4 146.4 179.5 -99.3 25.0 158.8 38 -0.7 0 0.0 0 0.0 0 0.0 8 34
87 A 76 PRO P - 0 0 -59.2 140.1 179.6 -143.0 44.0 109.5 0 0.0 0 0.0 0 0.0 0 0.0 13 42
88 A 77 ASN N h > T - 0 0 -95.7 -174.0 179.2 -81.6 33.7 108.1 0 0.0 92 -2.3 0 0.0 0 0.0 10 46
89 A 78 LYS K H H > TS+ 0 0 -56.9 -32.9 178.6 54.9 129.0 34.7 0 0.0 93 -2.6 0 0.0 0 0.0 11 43
90 A 79 ALA A H H > TS+ 0 0 -65.8 -51.1 179.0 47.3 108.3 15.1 0 0.0 94 -2.8 0 0.0 0 0.0 15 61
91 A 80 HIS H H H > TS+ 0 0 -54.2 -46.5 -179.6 46.3 115.2 25.5 0 0.0 95 -2.2 0 0.0 0 0.0 14 64
92 A 81 GLN Q H H X TS+ 0 0 -64.2 -43.0 178.8 53.0 110.4 24.0 88 -2.3 96 -3.0 0 0.0 0 0.0 12 48
93 A 82 ALA A H H X TS+ 0 0 -60.7 -41.3 179.6 49.4 109.0 25.2 89 -2.6 97 -2.6 0 0.0 0 0.0 12 57
94 A 83 PHE F H H X TS+ 0 0 -65.1 -42.6 178.8 48.0 112.0 20.7 90 -2.8 98 -1.4 0 0.0 0 0.0 12 65
95 A 84 ALA A H H X TS+ 0 0 -59.5 -46.2 179.5 51.3 112.0 20.8 91 -2.2 99 -2.4 0 0.0 0 0.0 13 51
96 A 85 GLU E H H X TS+ 0 0 -55.0 -52.1 -178.9 51.4 107.0 22.4 92 -3.0 100 -2.7 0 0.0 0 0.0 9 47
97 A 86 LEU L H H < >TS+ 0 0 -59.9 -28.2 178.7 48.8 111.8 37.7 93 -2.6 103 -2.1 0 0.0 102 -1.3 11 56
98 A 87 GLU E H H < >5TS+ 0 0 -78.2 -39.1 179.2 52.2 108.4 28.3 94 -1.4 101 -1.7 0 0.0 0 0.0 13 47
99 A 88 ARG R H H < 35TS+ 0 0 -60.0 -42.1 -179.6 58.0 104.8 23.6 95 -2.4 0 0.0 0 0.0 0 0.0 8 34
100 A 89 LEU L T h < 35TS- 0 0 -69.1 0.7 179.2 -119.2 115.3 64.9 96 -2.7 0 0.0 0 0.0 0 0.0 8 36
101 A 90 GLY G T T <5TS+ 0 0 75.3 -0.6 179.9 102.2 90.6 62.6 98 -1.7 0 0.0 0 0.0 0 0.0 7 34
102 A 91 VAL V e T + 0 0 -112.7 27.8 -178.5 115.9 69.1 91.4 0 0.0 117 -2.4 0 0.0 0 0.0 12 62
114 A 103 LEU L H H > TS+ 0 0 -70.8 -26.2 178.7 55.3 72.2 39.5 0 0.0 118 -0.9 0 0.0 0 0.0 12 59
115 A 104 HIS H H H > >TS+ 0 0 -70.3 -43.0 178.3 45.0 111.8 21.8 0 0.0 120 -2.6 0 0.0 119 -0.5 14 62
116 A 105 GLU E H H 4 >5TS+ 0 0 -62.4 -53.3 -178.9 50.3 112.4 17.3 0 0.0 119 -1.9 0 0.0 0 0.0 9 47
117 A 106 ARG R H H < 35TS+ 0 0 -62.0 -18.9 178.1 58.4 104.5 45.1 113 -2.4 0 0.0 0 0.0 0 0.0 8 41
118 A 107 ALA A H H < 35TS- 0 0 -81.0 -17.2 -179.7 -98.8 129.1 48.9 114 -0.9 0 0.0 0 0.0 0 0.0 10 39
119 A 108 GLY G T h < <5T + 0 0 114.7 1.1 179.4 153.3 69.2 64.2 116 -1.9 0 0.0 115 -0.5 0 0.0 8 32
120 A 109 SER S t T - 108 0 -92.2 92.8 -178.0 -177.6 14.7 138.0 123 -0.6 128 -1.5 0 0.0 0 0.0 12 52
126 A 115 LEU L T e 3 TS+ 0 0 -58.4 -35.1 -178.6 32.1 84.7 33.7 108 -2.0 0 0.0 124 -1.2 0 0.0 13 55
127 A 116 HIS H T e 3 TS- 0 0 -115.1 29.6 179.6 -110.7 114.4 91.0 108 -0.6 168 -1.9 0 0.0 0 0.0 12 53
128 A 117 GLY G E E BD < T - 167 0 78.1 -163.3 -177.2 -82.6 38.2 105.5 125 -1.5 0 0.0 0 0.0 0 0.0 12 54
129 A 118 SER S E E BD > T - 166 0 -152.8 145.8 178.2 -135.6 5.5 177.8 166 -2.3 132 -1.1 0 0.0 166 -0.5 13 52
130 A 119 LEU L E E B* 3 TS+ 0 0 -69.3 -17.2 179.1 67.7 106.0 50.1 111 -3.1 0 0.0 0 0.0 0 0.0 13 55
131 A 120 ARG R E E B* 3 TS+ 0 0 -74.2 -22.9 -177.2 77.5 90.0 44.5 0 0.0 144 -2.5 0 0.0 0 0.0 12 47
132 A 121 VAL V E E B*E< T - 0 143 -95.8 137.7 175.5 -173.8 56.8 136.7 129 -1.1 166 -3.1 0 0.0 0 0.0 13 46
133 A 122 VAL V E E BDE + 165 142 -124.7 129.1 -179.5 176.0 17.2 175.4 142 -3.0 142 -2.3 0 0.0 0 0.0 13 51
134 A 123 ARG R E E BDE - 164 141 -135.6 159.8 -178.6 -97.2 31.3 159.8 164 -2.7 164 -3.0 0 0.0 0 0.0 12 43
135 A 124 CYS C E E BD - 163 0 -78.7 145.5 178.5 -146.4 14.2 119.3 140 -2.5 0 0.0 0 0.0 0 0.0 14 37
136 A 125 THR T S e S+ 0 0 -79.7 -14.4 -175.3 30.1 98.6 52.3 162 -2.7 0 0.0 0 0.0 0 0.0 8 40
137 A 126 SER S S S S+ 0 0 -114.3 -51.0 178.4 27.9 120.2 34.6 0 0.0 0 0.0 0 0.0 0 0.0 7 25
138 A 127 CYS C S S S- 0 0 -104.1 -175.2 -178.8 -98.0 87.5 114.8 0 0.0 0 0.0 0 0.0 0 0.0 8 21
139 A 128 ASN N S S S+ 0 0 -87.1 3.7 -179.9 137.7 70.3 68.0 0 0.0 0 0.0 0 0.0 0 0.0 6 24
140 A 129 ASN N e + 0 0 -52.2 130.2 179.5 168.3 26.2 104.7 0 0.0 135 -2.5 0 0.0 0 0.0 8 25
141 A 130 SER S E E BE + 134 0 -148.9 141.8 -178.9 154.7 4.6 173.2 0 0.0 0 0.0 0 0.0 0 0.0 8 33
142 A 131 PHE F E E BE - 133 0 -161.1 163.9 -180.0 -107.5 35.7 170.8 133 -2.3 133 -3.0 0 0.0 0 0.0 7 30
143 A 132 GLU E E E BE - 132 0 -102.8 147.6 -178.4 -145.1 27.5 139.3 0 0.0 0 0.0 0 0.0 0 0.0 7 33
144 A 133 VAL V e - 0 0 -114.0 149.1 179.6 -154.3 14.3 146.8 131 -2.5 0 0.0 0 0.0 0 0.0 8 37
145 A 134 GLU E S S S+ 0 0 -88.2 -24.1 -179.6 16.1 82.1 42.9 0 0.0 0 0.0 0 0.0 0 0.0 6 29
146 A 135 SER S S S S- 0 0 -146.3 165.2 179.3 -84.6 88.2 161.5 0 0.0 0 0.0 0 0.0 0 0.0 7 31
147 A 136 ALA A - 0 0 -69.3 142.1 179.8 -117.8 48.6 115.7 0 0.0 0 0.0 0 0.0 0 0.0 10 41
148 A 137 PRO P - 0 0 -80.9 147.3 178.4 -114.3 23.3 122.7 0 0.0 150 -0.6 0 0.0 0 0.0 6 41
149 A 138 LYS K - 0 0 -81.5 121.6 -177.8 -148.9 27.2 137.2 0 0.0 0 0.0 0 0.0 0 0.0 6 29
150 A 139 ILE I + 0 0 -84.6 32.7 178.0 104.7 69.8 92.3 148 -0.6 0 0.0 0 0.0 0 0.0 10 28
151 A 140 PRO P S S S+ 0 0 -70.8 -45.3 179.1 31.6 95.8 15.6 0 0.0 0 0.0 0 0.0 0 0.0 4 20
152 A 141 PRO P S S S- 0 0 -105.8 141.6 178.6 -113.1 96.7 146.8 0 0.0 0 0.0 0 0.0 0 0.0 5 24
153 A 142 LEU L - 0 0 -69.2 136.6 179.7 -108.5 39.0 120.0 0 0.0 0 0.0 0 0.0 0 0.0 10 33
154 A 143 PRO P - 0 0 -66.6 133.4 -179.6 -159.3 38.7 118.4 0 0.0 163 -2.4 0 0.0 0 0.0 9 42
155 A 144 LYS K B B B - 162 0 -123.2 140.1 -178.9 -106.2 21.1 162.9 0 0.0 0 0.0 0 0.0 0 0.0 9 32
156 A 145 CYS C t > T - 0 0 -62.6 129.4 179.6 -149.4 16.8 111.3 161 -3.6 160 -1.6 0 0.0 0 0.0 11 28
157 A 146 ASP D T T 4 TS+ 0 0 -82.9 7.3 177.9 51.4 95.2 67.7 0 0.0 0 0.0 0 0.0 0 0.0 5 21
158 A 147 LYS K T T 4 TS+ 0 0 -106.3 -44.1 -179.0 6.8 130.9 39.1 0 0.0 0 0.0 0 0.0 0 0.0 6 19
159 A 148 CYS C T T 4 TS- 0 0 -122.3 2.5 179.9 -120.8 91.4 68.6 0 0.0 0 0.0 0 0.0 0 0.0 7 18
160 A 149 GLY G t < T + 0 0 73.5 -3.5 -178.4 132.7 68.4 67.5 156 -1.6 0 0.0 0 0.0 0 0.0 7 20
161 A 150 SER S - 0 0 -77.7 175.7 -178.9 -75.0 65.8 96.0 0 0.0 156 -3.6 0 0.0 0 0.0 10 26
162 A 151 LEU L B e B - 155 0 -71.1 133.2 176.4 -142.6 42.9 117.0 0 0.0 136 -2.7 0 0.0 0 0.0 11 38
163 A 152 LEU L E E BD - 135 0 -89.7 162.2 -179.7 -167.9 20.0 126.2 154 -2.4 0 0.0 0 0.0 0 0.0 12 47
164 A 153 ARG R E E BD - 134 0 -146.1 164.0 179.4 -78.3 33.0 161.3 134 -3.0 134 -2.7 0 0.0 0 0.0 10 62
165 A 154 PRO P E E BD - 133 0 -63.2 141.5 -179.2 -121.7 44.5 111.5 0 0.0 167 -1.4 0 0.0 0 0.0 11 65
166 A 155 GLY G E E BD S+ 129 0 -83.0 48.8 -179.8 113.3 74.4 101.7 132 -3.1 129 -2.3 129 -0.5 0 0.0 11 58
167 A 156 VAL V E E BD S- 128 0 -115.9 164.2 179.3 -111.3 70.8 140.2 165 -1.4 169 -0.6 0 0.0 0 0.0 10 52
168 A 157 VAL V e - 0 0 -96.8 120.1 179.1 -161.8 34.1 147.2 127 -1.9 0 0.0 0 0.0 0 0.0 9 51
169 A 158 TRP W t > T - 0 0 -95.9 168.8 178.7 -82.5 34.2 121.0 167 -0.6 172 -1.8 0 0.0 0 0.0 9 45
170 A 159 PHE F T T 3 TS+ 0 0 -70.0 137.8 -178.4 35.2 120.2 120.5 59 -1.3 0 0.0 0 0.0 0 0.0 8 33
171 A 160 GLY G T T 3 TS+ 0 0 99.9 -6.2 -179.9 106.3 100.1 72.0 0 0.0 0 0.0 0 0.0 0 0.0 6 24
172 A 161 GLU E S t < TS- 0 0 -111.8 141.5 178.7 -118.8 72.5 151.4 169 -1.8 0 0.0 0 0.0 0 0.0 7 31
173 A 162 MET M - 0 0 -69.1 146.4 177.4 -117.4 32.1 114.1 0 0.0 0 0.0 0 0.0 0 0.0 6 25
174 A 163 LEU L - 0 0 -77.5 164.5 179.3 -82.8 46.0 114.0 0 0.0 0 0.0 0 0.0 0 0.0 9 34
175 A 164 PRO P h > T - 0 0 -68.5 127.9 -179.7 -133.5 40.8 123.8 0 0.0 179 -2.6 0 0.0 0 0.0 6 31
176 A 165 PRO P H H > TS+ 0 0 -49.9 -45.2 -178.0 48.7 103.2 28.2 0 0.0 180 -2.8 0 0.0 0 0.0 7 21
177 A 166 ASP D H H > TS+ 0 0 -65.2 -39.5 179.7 50.9 110.9 25.4 0 0.0 181 -2.7 0 0.0 0 0.0 6 20
178 A 167 VAL V H H > TS+ 0 0 -62.0 -48.3 179.9 45.7 112.7 19.4 0 0.0 182 -2.3 0 0.0 0 0.0 11 36
179 A 168 LEU L H H X TS+ 0 0 -60.0 -51.7 179.4 51.6 111.9 17.0 175 -2.6 183 -2.6 0 0.0 0 0.0 10 36
180 A 169 ASP D H H X TS+ 0 0 -50.3 -53.0 179.0 49.8 109.8 21.0 176 -2.8 184 -2.6 0 0.0 0 0.0 8 27
181 A 170 ARG R H H X TS+ 0 0 -53.5 -46.6 -179.3 49.8 110.6 24.3 177 -2.7 185 -2.1 0 0.0 0 0.0 9 35
182 A 171 ALA A H H X TS+ 0 0 -61.1 -44.4 179.4 49.2 111.0 23.3 178 -2.3 186 -2.2 0 0.0 0 0.0 11 46
183 A 172 MET M H H X TS+ 0 0 -60.5 -50.6 -179.4 48.7 110.9 19.0 179 -2.6 187 -2.3 0 0.0 0 0.0 9 45
184 A 173 ARG R H H X TS+ 0 0 -60.0 -35.9 178.9 54.6 109.5 29.4 180 -2.6 188 -0.6 0 0.0 0 0.0 8 38
185 A 174 GLU E H H X > TS+ 0 0 -64.7 -49.5 -179.7 39.2 113.2 17.5 181 -2.1 188 -0.8 0 0.0 189 -0.8 10 43
186 A 175 VAL V H H < 3 TS+ 0 0 -72.5 -24.7 179.5 59.0 110.1 37.9 182 -2.2 0 0.0 0 0.0 0 0.0 13 51
187 A 176 GLU E H H < 3 TS+ 0 0 -73.6 -10.9 -177.0 45.0 111.6 48.2 183 -2.3 0 0.0 0 0.0 0 0.0 9 37
188 A 177 ARG R H H < < TS+ 0 0 -103.2 -19.6 -176.5 102.8 95.0 54.4 185 -0.8 0 0.0 184 -0.6 0 0.0 8 38
189 A 178 ALA A h < T - 0 0 -80.2 136.5 178.6 -177.2 41.5 117.9 185 -0.8 0 0.0 0 0.0 0 0.0 13 44
190 A 179 ASP D S e S+ 0 0 -100.5 -17.0 177.9 26.2 81.9 51.9 25 -1.3 217 -2.5 0 0.0 0 0.0 13 44
191 A 180 VAL V E E Aaf - 26 217 -143.8 146.2 177.3 -170.8 66.5 172.1 25 -1.0 27 -1.9 0 0.0 0 0.0 15 55
192 A 181 ILE I E E Aaf - 27 218 -144.2 127.4 177.5 -150.4 13.8 164.6 217 -1.6 219 -2.9 0 0.0 194 -0.6 16 71
193 A 182 ILE I E E Aaf - 28 219 -94.4 125.4 179.9 -167.2 13.3 147.8 27 -2.4 29 -2.9 0 0.0 195 -0.6 12 85
194 A 183 VAL V E E Aaf + 29 220 -115.9 102.9 -175.6 173.6 17.7 156.2 219 -2.5 221 -2.6 192 -0.6 0 0.0 13 77
195 A 184 ALA A E E Aaf - 30 221 -123.3 137.2 178.5 -1.5 50.8 156.0 29 -1.8 31 -2.1 193 -0.6 0 0.0 14 71
196 A 185 GLY G S e S+ 0 0 66.8 29.6 177.0 123.6 90.5 37.5 221 -2.1 33 -2.7 0 0.0 0 0.0 12 65
197 A 186 THR T - 0 0 -127.9 139.5 179.8 -143.7 60.2 168.2 0 0.0 0 0.0 0 0.0 0 0.0 11 60
198 A 187 SER S - 0 0 -70.1 -8.2 177.7 -137.7 37.4 55.7 0 0.0 0 0.0 0 0.0 0 0.0 8 49
199 A 188 ALA A S S S+ 0 0 53.5 42.9 179.3 96.3 76.8 32.3 0 0.0 0 0.0 0 0.0 0 0.0 9 48
200 A 189 VAL V + 0 0 -124.6 -42.4 -179.5 88.9 53.0 51.1 0 0.0 0 0.0 0 0.0 0 0.0 6 35
201 A 190 VAL V S t > TS- 0 0 -67.9 128.3 -179.5 -98.1 81.2 117.6 0 0.0 205 -1.9 0 0.0 0 0.0 7 41
202 A 191 GLN Q T T 4 TS+ 0 0 -98.5 157.0 0.3 9.4 86.4 130.0 0 0.0 0 0.0 0 0.0 0 0.0 6 36
203 A 192 PRO P T g > > TS+ 0 0 -86.1 1.0 179.8 58.8 123.6 173.7 0 0.0 206 -1.5 0 0.0 207 -0.9 6 45
204 A 193 ALA A G G 4 > TS+ 0 0 -53.1 -41.4 -178.7 59.7 100.6 29.0 0 0.0 207 -0.9 0 0.0 0 0.0 10 58
205 A 194 ALA A G G < 3 TS+ 0 0 -60.5 -26.7 -178.8 51.8 104.2 39.0 201 -1.9 0 0.0 0 0.0 0 0.0 11 47
206 A 195 SER S G h > X TS+ 0 0 -84.4 -22.1 -178.9 84.1 85.0 45.4 203 -1.5 209 -1.5 0 0.0 210 -1.2 8 47
207 A 196 LEU L H H X X TS+ 0 0 -50.0 -44.1 179.9 53.7 88.3 26.9 203 -0.9 211 -1.3 204 -0.9 210 -0.6 10 61
208 A 197 PRO P H H > 3 TS+ 0 0 -63.7 -23.5 180.0 62.8 100.9 35.7 0 0.0 212 -2.3 0 0.0 0 0.0 12 62
209 A 198 LEU L H H > < TS+ 0 0 -65.9 -39.1 179.5 54.4 98.7 27.1 206 -1.5 213 -3.0 0 0.0 0 0.0 8 45
210 A 199 ILE I H H X < TS+ 0 0 -60.0 -47.3 179.3 47.2 108.5 22.1 206 -1.2 214 -1.4 207 -0.6 0 0.0 10 43
211 A 200 VAL V H H < >>TS+ 0 0 -58.4 -48.2 179.8 50.9 113.6 17.9 207 -1.3 216 -2.6 0 0.0 214 -0.5 18 45
212 A 201 LYS K H H < >5TS+ 0 0 -54.0 -54.1 -179.5 50.2 107.8 22.4 208 -2.3 215 -1.9 0 0.0 0 0.0 10 41
213 A 202 GLN Q H H < 35TS+ 0 0 -60.7 -25.0 179.8 55.8 106.8 43.0 209 -3.0 0 0.0 0 0.0 0 0.0 7 24
214 A 203 ARG R T h < <5TS- 0 0 -93.6 14.7 178.1 -95.9 127.8 75.4 210 -1.4 0 0.0 211 -0.5 0 0.0 8 28
215 A 204 GLY G T T <5TS+ 0 0 89.9 3.8 -179.1 135.6 80.2 61.0 212 -1.9 0 0.0 0 0.0 0 0.0 7 27
216 A 205 GLY G t T - 0 0 -140.0 -179.2 179.9 -82.4 45.8 142.8 0 0.0 229 -0.8 0 0.0 0 0.0 7 42
227 A 216 PRO P T T 3 TS+ 0 0 -62.1 -13.3 -178.8 56.9 128.0 43.8 0 0.0 0 0.0 0 0.0 0 0.0 8 39
228 A 217 LEU L T g > > TS+ 0 0 -86.6 -29.4 -178.9 80.7 83.7 37.1 0 0.0 231 -2.4 0 0.0 232 -0.5 10 51
229 A 218 THR T G G 4 X TS+ 0 0 -44.0 -51.6 -179.8 64.0 81.8 28.9 226 -0.8 232 -2.4 0 0.0 0 0.0 9 45
230 A 219 PRO P G G 4 3 TS+ 0 0 -50.5 -20.3 -180.0 36.0 113.0 44.1 0 0.0 0 0.0 0 0.0 0 0.0 9 38
231 A 220 ILE I G G 4 < TS+ 0 0 -115.9 6.4 -179.9 112.2 91.4 67.4 228 -2.4 0 0.0 0 0.0 0 0.0 7 43
232 A 221 ALA A g < < T - 0 0 -82.6 133.2 178.6 -152.2 56.4 129.2 229 -2.4 0 0.0 228 -0.5 0 0.0 12 51
233 A 222 ASP D S S S+ 0 0 -69.2 -31.7 177.6 17.5 92.0 32.0 218 -1.1 9 -2.4 0 0.0 0 0.0 10 48
234 A 223 TYR Y E E Aga - 219 9 -141.1 133.2 177.8 -177.5 65.4 175.1 218 -1.8 220 -3.3 0 0.0 0 0.0 12 51
235 A 224 SER S E E Ag - 220 0 -133.3 113.9 -178.4 -162.9 11.4 163.6 9 -2.3 237 -0.6 0 0.0 0 0.0 14 51
236 A 225 LEU L E E Ag - 221 0 -103.8 117.0 179.5 -146.2 11.1 151.7 220 -3.1 222 -2.0 0 0.0 238 -1.3 13 49
237 A 226 ARG R + 0 0 -82.0 90.2 179.1 86.9 61.0 130.1 235 -0.6 0 0.0 0 0.0 0 0.0 10 40
238 A 227 GLY G S S S- 0 0 -169.8 172.1 178.8 -70.1 83.5 166.1 236 -1.3 0 0.0 0 0.0 0 0.0 9 39
239 A 228 LYS K h > T - 0 0 -74.1 143.2 -179.2 -126.2 41.1 120.7 0 0.0 243 -2.6 0 0.0 0 0.0 9 48
240 A 229 ALA A H H > TS+ 0 0 -59.5 -33.4 -179.5 58.3 106.9 34.6 0 0.0 244 -2.5 0 0.0 0 0.0 15 59
241 A 230 GLY G H H > TS+ 0 0 -59.9 -61.1 -179.9 34.2 113.8 8.7 0 0.0 245 -2.1 0 0.0 0 0.0 13 49
242 A 231 GLU E H H > TS+ 0 0 -59.9 -51.0 -179.5 45.6 123.3 22.2 0 0.0 246 -2.5 0 0.0 0 0.0 10 36
243 A 232 VAL V H H X TS+ 0 0 -62.8 -47.7 179.3 43.3 115.6 25.0 239 -2.6 247 -2.2 0 0.0 0 0.0 12 49
244 A 233 MET M H H X TS+ 0 0 -66.9 -37.7 178.9 55.5 112.5 27.5 240 -2.5 248 -3.1 0 0.0 0 0.0 12 62
245 A 234 ASP D H H X TS+ 0 0 -57.0 -57.3 179.8 41.2 112.2 9.1 241 -2.1 249 -2.1 0 0.0 0 0.0 12 40
246 A 235 GLU E H H X TS+ 0 0 -57.2 -36.8 -179.3 55.1 115.0 29.8 242 -2.5 250 -1.9 0 0.0 0 0.0 8 37
247 A 236 LEU L H H X TS+ 0 0 -63.6 -50.0 179.8 44.1 108.4 21.4 243 -2.2 251 -2.3 0 0.0 0 0.0 10 57
248 A 237 VAL V H H X TS+ 0 0 -66.8 -34.1 179.6 58.1 109.3 31.9 244 -3.1 252 -2.7 0 0.0 0 0.0 11 49
249 A 238 ARG R H H X TS+ 0 0 -58.7 -56.9 179.9 40.2 111.6 9.9 245 -2.1 253 -2.2 0 0.0 0 0.0 8 37
250 A 239 HIS H H H X TS+ 0 0 -57.5 -46.6 178.8 49.5 116.2 25.3 246 -1.9 254 -2.8 0 0.0 0 0.0 9 32
251 A 240 VAL V H H X TS+ 0 0 -59.2 -40.5 -179.4 54.3 109.9 26.3 247 -2.3 255 -1.7 0 0.0 0 0.0 11 38
252 A 241 ARG R H H < TS+ 0 0 -59.5 -46.3 -180.0 41.7 112.2 25.5 248 -2.7 0 0.0 0 0.0 0 0.0 9 34
253 A 242 LYS K H H < > TS+ 0 0 -66.6 -52.1 -179.3 47.5 116.5 17.9 249 -2.2 256 -1.6 0 0.0 0 0.0 7 24
254 A 243 ALA A H H < 3 TS+ 0 0 -62.9 -23.3 -179.1 64.5 103.1 44.1 250 -2.8 0 0.0 0 0.0 0 0.0 7 26
255 A 244 LEU L T h < 3 T 0 0 -86.3 13.3 179.4 999.9 999.9 75.3 251 -1.7 0 0.0 0 0.0 0 0.0 6 27
256 A 245 SER S t < T 0 0 -131.1 999.9 999.9 999.9 999.9 122.8 253 -1.6 0 0.0 0 0.0 0 0.0 4 18
1iciA.pdb
1ICI TRANSCRIPTION MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand TTS B S HHHHHHHHT SSEEEEE GGGTGGGT TTS SSSS S GGGTSSHHHHHH HHHHHHHHHHHHHHHHH HHHHHHHHHHHT Kabs/Sand
chirality +++-----+-+-+++++++++-+++-----++++++-+-----+--++-++--+++++-++++++++++++++++++++++++----+++++++++++- chirality
bends SS S SSSSSSSSS SS SSSSSSSS SSS SSSS S SSSSSSSSSSSS SSSSSSSSSSSSSSSSS SSSSSSSSSSSS bends
turns TTTT TTTTTTTTTTT TTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTT turns
5-turns >5555< >555 5-turns
3-turns >33< >33< >>33<< >33< >>3<< >33< >33< >33 3-turns
bridge-2 bbbbb bridge-2
bridge-1 a aaaaa bridge-1
sheets AAAAA sheets
4-turns >>>>XX<<<< >444< >444<>>>><<>>XXXXXXXXXXX<<<< >>>>XXXXX<<<< 4-turns
summary tTTt B S hHHHHHHHHhtSeEEEEEeGGGgGGGgt tTTt SSSS SgGGGgthHHHHHHhHHHHHHHHHHHHHHHHHh hHHHHHHHHHHHh summary
sequence GSHHHHHHGSHMDEKLLKTIAESKYLVALTGAGVSAESGIPTFRGKDGLWNRYRPEELANPQAFAKDPEKVWKWYAWRMEKVFNAQPNKAHQAFAELERL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand T EEEEEE S HHHHHT SEEETTEEEEEEEESSSS EEE SS SS B TTT BEEEEE TTS HHHHHHHHHHHHH SEEEEES S Kabs/Sand
chirality ++------+-+-+++++-+-++---+---++-+--++-+++---+----++-----++-+-----+---++----+++++++++++++-+---+-+--++ chirality
bends S S SSSSS S SS SS SSSS SS SS SSS SS SSS SSSSSSSSSSSSS S S S bends
turns TT TTTTTTTT TTTTTTTT TTTTT TTTT TTTTTTTTTTTTTTT turns
5-turns 5< >5555< 5-turns
3-turns < >33< >33<>33< >33< >33< 3-turns
bridge-2 ccc EEE fffff bridge-2
bridge-1 b*bbbb ccc DD***DDD EEE B BDDDDD aaaaa bridge-1
sheets AAAAAA AAA BBBBBBBB BBB BBBBB AAAAA sheets
4-turns >>>4<<< >444< >>>>XXXXXXX<<<< 4-turns
summary TeEEEEEEe ShHHHHHht eEEEeeEEEEEEEEeSSSeEEEeSS SS BtTTTt eEEEEEetTTt hHHHHHHHHHHHHHheEEEEEe S summary
sequence GVLKCLITQNVDDLHERAGSRNVIHLHGSLRVVRCTSCNNSFEVESAPKIPPLPKCDKCGSLLRPGVVWFGEMLPPDVLDRAMREVERADVIIVAGTSAV sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand STTGGGHHHHHHHTT EEEEE SS TTGGG SEEE S HHHHHHHHHHHHHHHT Kabs/Sand
chirality -++++++++++++-+-----+-+---+++++-+---+--+++++++++++++++ chirality
bends SSSSSSSSSSSSSSS SS SSSSS S S SSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTT TTTTTTT TTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >>3XX3<<>>3<< >3>X3<< >33< 3-turns
bridge-2 ggg a bridge-2
bridge-1 fffff ggg bridge-1
sheets AAAAA AAA sheets
4-turns >4>4<>X>>X<<<< >444< >>>>XXXXXXXXX<<<< 4-turns
summary tTgGGhHHHHHHHhTtEEEEEeSS tTgGGGgSEEE ShHHHHHHHHHHHHHHHht summary
sequence VQPAASLPLIVKQRGGAIIEINPDETPLTPIADYSLRGKAGEVMDELVRHVRKALS sequence
210 220 230 240 250