Secondary structure calculation program - copyright by David Keith Smith, 1989
1i9bA.pdb
1I9B LIGAND BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 205
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 PHE F 0 0 999.9 116.7 179.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 8 21
2 A 2 ASP D h > T - 0 0 -106.7 169.3 -179.3 -98.5 999.9 127.2 0 0.0 6 -2.9 0 0.0 0 0.0 7 22
3 A 3 ARG R H H > TS+ 0 0 -52.3 -35.0 179.6 54.4 125.3 33.7 0 0.0 7 -2.9 0 0.0 0 0.0 8 30
4 A 4 ALA A H H > TS+ 0 0 -65.0 -49.0 -179.7 44.4 110.1 17.2 0 0.0 8 -2.8 0 0.0 0 0.0 6 23
5 A 5 ASP D H H > TS+ 0 0 -62.1 -38.7 -179.1 49.6 115.8 27.5 0 0.0 9 -1.7 0 0.0 0 0.0 8 28
6 A 6 ILE I H H X TS+ 0 0 -66.1 -54.2 179.9 41.1 114.5 14.1 2 -2.9 10 -2.1 0 0.0 0 0.0 10 37
7 A 7 LEU L H H X TS+ 0 0 -60.1 -42.1 -179.6 57.4 112.6 23.7 3 -2.9 11 -2.7 0 0.0 0 0.0 10 40
8 A 8 TYR Y H H X TS+ 0 0 -57.6 -38.5 -180.0 46.7 107.7 31.2 4 -2.8 12 -2.2 0 0.0 0 0.0 8 29
9 A 9 ASN N H H X TS+ 0 0 -69.2 -53.4 179.4 47.9 112.4 14.1 5 -1.7 13 -2.4 0 0.0 0 0.0 9 35
10 A 10 ILE I H H X TS+ 0 0 -53.1 -42.9 179.4 48.1 114.8 27.5 6 -2.1 14 -2.4 0 0.0 0 0.0 10 48
11 A 11 ARG R H H < TS+ 0 0 -64.4 -45.8 -178.1 44.2 114.8 22.1 7 -2.7 0 0.0 0 0.0 0 0.0 8 34
12 A 12 GLN Q H H < TS+ 0 0 -73.8 -24.6 -178.3 30.2 126.0 43.0 8 -2.2 0 0.0 0 0.0 0 0.0 6 24
13 A 13 THR T H H < TS+ 0 0 -109.1 -21.6 -177.9 103.2 94.5 48.3 9 -2.4 0 0.0 0 0.0 0 0.0 6 27
14 A 14 SER S h < T - 0 0 -66.7 156.9 179.5 -159.3 49.0 100.5 10 -2.4 0 0.0 0 0.0 0 0.0 12 35
15 A 15 ARG R t > T - 0 0 -139.9 93.7 -179.6 -169.2 4.7 144.4 0 0.0 18 -2.1 0 0.0 0 0.0 8 29
16 A 16 PRO P T T 3 TS+ 0 0 -56.1 -20.9 -179.0 60.8 86.3 47.8 0 0.0 83 -0.5 0 0.0 0 0.0 10 31
17 A 17 ASP D T T 3 TS+ 0 0 -89.7 0.7 -178.7 80.9 90.7 62.8 0 0.0 19 -0.6 0 0.0 0 0.0 5 24
18 A 18 VAL V S t < TS- 0 0 -118.2 116.7 179.2 -134.3 75.0 156.5 15 -2.1 0 0.0 0 0.0 0 0.0 6 32
19 A 19 ILE I - 0 0 -63.8 127.1 -179.6 -121.3 25.4 114.4 17 -0.6 21 -3.1 0 0.0 0 0.0 8 45
20 A 20 PRO P + 0 0 -66.5 49.5 -179.1 163.2 53.1 100.6 0 0.0 0 0.0 0 0.0 0 0.0 10 40
21 A 21 THR T - 0 0 -79.2 136.0 179.0 -155.1 29.8 122.7 19 -3.1 23 -0.6 0 0.0 0 0.0 9 35
22 A 22 GLN Q B B A > T - 25 0 -111.4 105.6 -178.0 -49.6 61.4 157.9 25 -0.6 25 -1.2 0 0.0 0 0.0 7 23
23 A 23 ARG R T T 3 TS- 0 0 62.7 -154.2 179.9 -31.5 112.2 104.9 21 -0.6 0 0.0 0 0.0 0 0.0 5 17
24 A 24 ASP D T T 3 TS+ 0 0 -72.6 -1.7 -179.3 120.7 111.9 59.5 0 0.0 0 0.0 0 0.0 0 0.0 7 16
25 A 25 ARG R B B A < T - 22 0 -68.0 128.9 179.7 -130.8 63.8 117.2 22 -1.2 22 -0.6 0 0.0 0 0.0 8 22
26 A 26 PRO P - 0 0 -72.6 165.6 177.3 -101.4 25.7 105.1 0 0.0 28 -0.5 0 0.0 0 0.0 12 37
27 A 27 VAL V E E Aa - 150 0 -90.4 127.4 -178.9 -132.5 33.6 143.3 149 -3.6 151 -2.3 0 0.0 29 -1.0 13 44
28 A 28 ALA A E E Aa + 151 0 -87.3 104.7 179.4 178.8 30.4 136.9 26 -0.5 0 0.0 0 0.0 0 0.0 10 47
29 A 29 VAL V E E Aa - 152 0 -107.2 127.9 178.8 -158.2 12.3 155.4 151 -2.8 153 -1.4 27 -1.0 0 0.0 13 54
30 A 30 SER S E E AaB - 153 57 -108.7 133.1 -179.3 -164.7 8.0 155.8 57 -2.7 57 -1.9 0 0.0 0 0.0 11 49
31 A 31 VAL V E E A B + 0 56 -118.3 143.9 -179.1 172.1 11.6 157.5 153 -1.8 0 0.0 0 0.0 0 0.0 13 54
32 A 32 SER S E E A B - 0 55 -155.0 110.9 178.7 -154.0 16.8 147.7 55 -1.3 55 -1.7 0 0.0 0 0.0 11 55
33 A 33 LEU L E E A B - 0 54 -88.0 136.2 178.1 -168.3 6.1 135.0 0 0.0 35 -0.5 0 0.0 0 0.0 9 66
34 A 34 LYS K E E A B - 0 53 -123.1 107.3 -178.1 -134.1 22.5 163.6 53 -1.2 53 -2.1 0 0.0 0 0.0 11 53
35 A 35 PHE F E E A B + 0 52 -70.1 130.3 -179.2 172.9 29.2 116.9 33 -0.5 0 0.0 0 0.0 0 0.0 13 59
36 A 36 ILE I E E A * - 0 0 -104.5 -30.6 -179.3 -9.6 64.5 47.0 51 -2.4 166 -2.4 0 0.0 0 0.0 12 47
37 A 37 ASN N E E A B - 0 51 -168.9 155.6 177.6 -143.0 43.3 170.0 51 -1.8 51 -3.0 0 0.0 0 0.0 10 46
38 A 38 ILE I E E A B + 0 50 -124.6 111.4 -174.8 172.4 27.4 168.4 0 0.0 0 0.0 0 0.0 0 0.0 13 57
39 A 39 LEU L E E A * + 0 0 -93.7 -44.7 179.9 16.2 56.1 29.8 49 -2.8 0 0.0 0 0.0 0 0.0 10 38
40 A 40 GLU E E E A B - 0 49 -138.8 136.4 179.2 -176.5 56.7 175.1 49 -1.3 49 -2.2 0 0.0 0 0.0 7 42
41 A 41 VAL V E E A B - 0 48 -129.4 145.4 179.1 -176.5 6.0 164.7 0 0.0 0 0.0 0 0.0 0 0.0 10 44
42 A 42 ASN N E E >A B >T - 0 47 -142.8 102.4 -179.1 -176.3 5.4 149.6 47 -1.1 46 -1.6 0 0.0 47 -1.3 9 33
43 A 43 GLU E T T 4 5TS+ 0 0 -71.5 -23.4 179.8 58.5 86.3 40.7 0 0.0 0 0.0 0 0.0 0 0.0 11 30
44 A 44 ILE I T T 4 5TS+ 0 0 -70.3 -45.2 -178.7 25.5 120.4 23.2 0 0.0 0 0.0 0 0.0 0 0.0 5 20
45 A 45 THR T T T 4 5TS- 0 0 -97.6 -6.5 -179.9 -129.7 100.3 59.5 0 0.0 0 0.0 0 0.0 0 0.0 5 23
46 A 46 ASN N T e < 5T + 0 0 56.0 54.3 -179.4 141.1 58.2 17.1 42 -1.6 123 -1.2 0 0.0 0 0.0 12 36
47 A 47 GLU E E E ABC T - 0 0 -130.4 96.3 -179.0 -172.9 6.7 151.2 109 -3.6 63 -1.6 0 0.0 0 0.0 10 49
61 A 61 ARG R G G > TS+ 0 0 -64.2 -18.9 179.9 72.8 79.0 49.1 0 0.0 64 -1.1 0 0.0 0 0.0 9 41
62 A 62 THR T G G 3 TS+ 0 0 -73.1 -7.1 179.5 54.4 96.1 53.9 0 0.0 0 0.0 0 0.0 0 0.0 7 38
63 A 63 LEU L G G < TS+ 0 0 -98.6 -11.9 -179.0 115.5 84.4 57.8 60 -1.6 0 0.0 0 0.0 0 0.0 11 49
64 A 64 ALA A g < T + 0 0 -62.5 146.3 179.3 170.1 37.0 105.6 61 -1.1 0 0.0 0 0.0 0 0.0 11 42
65 A 65 TRP W - 0 0 -152.2 151.8 179.8 -95.4 42.6 166.0 107 -2.1 67 -0.5 0 0.0 0 0.0 7 36
66 A 66 ASN N + 0 0 -76.4 120.7 -178.6 176.9 38.4 128.5 0 0.0 0 0.0 0 0.0 0 0.0 8 27
67 A 67 SER S t > T + 0 0 -108.6 14.5 -178.6 115.9 42.1 77.0 65 -0.5 70 -2.2 0 0.0 0 0.0 9 27
68 A 68 SER S T T 3 TS+ 0 0 -47.6 -57.6 177.6 19.3 98.9 19.4 0 0.0 0 0.0 0 0.0 0 0.0 5 16
69 A 69 HIS H T T 3 TS+ 0 0 -108.5 53.2 179.0 58.9 130.6 114.9 0 0.0 0 0.0 0 0.0 0 0.0 6 15
70 A 70 SER S S t < TS- 0 0 -166.7 167.3 179.8 -63.7 97.4 164.9 67 -2.2 0 0.0 0 0.0 0 0.0 8 22
71 A 71 PRO P - 0 0 -60.3 143.2 -178.9 -149.2 33.0 106.6 0 0.0 0 0.0 0 0.0 0 0.0 11 30
72 A 72 ASP D S e S+ 0 0 -85.3 -26.7 -177.3 30.9 76.7 39.5 0 0.0 107 -3.8 0 0.0 0 0.0 7 32
73 A 73 GLN Q E E AE + 106 0 -135.2 154.5 176.9 178.6 57.2 160.5 0 0.0 0 0.0 0 0.0 0 0.0 8 39
74 A 74 VAL V E E AE - 105 0 -148.7 156.0 178.5 -113.7 32.8 167.1 105 -1.6 105 -2.9 0 0.0 76 -0.6 11 39
75 A 75 SER S E E AE - 104 0 -95.8 120.6 -178.9 -171.5 36.7 149.3 0 0.0 0 0.0 0 0.0 0 0.0 8 38
76 A 76 VAL V E E AE - 103 0 -115.7 137.9 179.5 -111.1 26.9 155.8 103 -2.4 103 -3.6 74 -0.6 0 0.0 11 46
77 A 77 PRO P E E AE > T - 102 0 -66.6 138.6 -179.7 -125.4 25.9 115.7 0 0.0 80 -2.4 0 0.0 0 0.0 9 37
78 A 78 ILE I G e > TS+ 0 0 -51.1 -34.6 179.8 65.1 108.0 36.1 101 -2.7 81 -1.4 0 0.0 0 0.0 10 43
79 A 79 SER S G G 3 TS+ 0 0 -67.2 -13.2 -179.8 54.2 97.3 54.4 0 0.0 0 0.0 0 0.0 0 0.0 6 32
80 A 80 SER S G G < TS+ 0 0 -101.5 0.4 -179.6 59.5 106.3 65.1 77 -2.4 0 0.0 0 0.0 0 0.0 11 38
81 A 81 LEU L S g < TS- 0 0 -124.1 163.8 175.9 -105.7 88.1 144.2 78 -1.4 0 0.0 0 0.0 0 0.0 10 47
82 A 82 TRP W - 0 0 -84.2 141.0 179.8 -165.5 42.8 135.2 0 0.0 0 0.0 0 0.0 0 0.0 13 49
83 A 83 VAL V - 0 0 -134.2 143.7 179.7 -97.5 26.5 169.8 16 -0.5 0 0.0 0 0.0 0 0.0 7 55
84 A 84 PRO P - 0 0 -56.4 132.5 179.9 -131.4 29.8 108.9 0 0.0 86 -1.7 0 0.0 0 0.0 6 57
85 A 85 ASP D e + 0 0 -84.5 55.0 -179.7 169.5 45.7 108.1 0 0.0 143 -1.8 0 0.0 0 0.0 9 46
86 A 86 LEU L E E BF - 142 0 -68.1 151.4 179.9 -176.7 12.2 106.6 84 -1.7 0 0.0 0 0.0 0 0.0 8 54
87 A 87 ALA A E E BF - 141 0 -150.5 139.1 178.2 -124.1 30.5 172.2 141 -1.2 141 -1.6 0 0.0 89 -0.9 9 48
88 A 88 ALA A E E BF > T - 140 0 -87.0 107.8 -178.8 -150.8 23.6 142.1 0 0.0 91 -2.3 0 0.0 0 0.0 9 53
89 A 89 TYR Y T e 3 TS+ 0 0 -47.8 -36.6 -179.5 37.9 93.5 39.8 139 -2.6 0 0.0 87 -0.9 0 0.0 8 39
90 A 90 ASN N T T 3 TS+ 0 0 -107.6 23.1 177.6 135.0 82.4 84.6 0 0.0 122 -2.4 0 0.0 0 0.0 9 38
91 A 91 ALA A B B B < T - 121 0 -71.1 136.0 -178.0 -166.3 37.3 122.6 88 -2.3 0 0.0 0 0.0 0 0.0 12 41
92 A 92 ILE I S S S+ 0 0 -101.7 -9.5 179.6 27.1 73.1 60.2 120 -3.7 0 0.0 0 0.0 0 0.0 8 32
93 A 93 SER S S S S- 0 0 -142.7 166.1 177.9 -92.3 94.2 154.9 120 -1.0 0 0.0 0 0.0 0 0.0 7 26
94 A 94 LYS K - 0 0 -82.4 161.8 -179.4 -82.9 55.6 117.1 0 0.0 0 0.0 0 0.0 0 0.0 7 30
95 A 95 PRO P - 0 0 -66.3 129.3 176.8 -152.7 31.6 115.9 0 0.0 97 -1.0 0 0.0 0 0.0 7 35
96 A 96 GLU E E E AG - 118 0 -101.6 94.8 179.6 -151.2 16.2 149.7 118 -2.0 118 -1.7 0 0.0 98 -0.6 7 28
97 A 97 VAL V E E AG - 117 0 -71.3 116.0 -177.5 -174.1 14.3 125.7 95 -1.0 0 0.0 0 0.0 0 0.0 10 34
98 A 98 LEU L e + 0 0 -88.8 -10.4 -177.5 61.9 58.4 55.8 116 -3.1 0 0.0 96 -0.6 0 0.0 8 25
99 A 99 THR T S S S- 0 0 -120.0 163.1 179.5 -75.8 97.4 139.7 116 -0.5 0 0.0 0 0.0 0 0.0 7 26
100 A 100 PRO P - 0 0 -51.5 135.5 -179.3 -123.8 46.3 104.5 0 0.0 102 -1.8 0 0.0 0 0.0 6 25
101 A 101 GLN Q e + 0 0 -87.2 63.9 180.0 130.4 65.3 113.1 0 0.0 78 -2.7 0 0.0 0 0.0 8 32
102 A 102 LEU L E E AE - 77 0 -114.5 145.8 178.3 -155.2 41.1 149.6 100 -1.8 0 0.0 0 0.0 0 0.0 9 36
103 A 103 ALA A E E AE - 76 0 -114.8 167.4 -179.8 -122.6 16.8 136.5 76 -3.6 76 -2.4 0 0.0 105 -0.5 12 44
104 A 104 ARG R E E AEH - 75 112 -114.8 126.7 -179.4 -162.5 23.5 162.0 112 -2.6 112 -2.6 0 0.0 106 -0.5 11 44
105 A 105 VAL V E E AEH - 74 111 -117.5 125.0 179.7 -154.3 4.1 161.0 74 -2.9 74 -1.6 103 -0.5 0 0.0 13 50
106 A 106 VAL V E E >AEH> T - 73 110 -92.7 141.0 -178.6 -111.4 32.1 136.4 110 -2.6 109 -2.8 104 -0.5 110 -0.6 11 39
107 A 107 SER S T e 4 3 TS+ 0 0 -44.8 -22.9 -179.1 64.0 114.2 47.8 72 -3.8 65 -2.1 0 0.0 0 0.0 13 38
108 A 108 ASP D T T 4 3 TS- 0 0 -87.8 8.7 179.5 -97.9 124.0 68.6 0 0.0 0 0.0 0 0.0 0 0.0 9 29
109 A 109 GLY G T e 4 < TS+ 0 0 90.4 6.5 179.5 145.0 76.1 58.2 106 -2.8 60 -3.6 0 0.0 0 0.0 13 46
110 A 110 GLU E E E T + 0 0 -96.9 -22.6 -179.8 119.7 33.8 47.7 123 -0.8 128 -1.8 0 0.0 0 0.0 14 42
126 A 126 SER S T T 3 TS+ 0 0 -47.8 128.2 -179.2 30.6 74.8 99.2 0 0.0 0 0.0 0 0.0 0 0.0 9 32
127 A 127 GLY G T T > TS+ 0 0 100.7 -3.9 179.9 130.3 75.4 67.7 0 0.0 130 -0.8 0 0.0 0 0.0 10 33
128 A 128 VAL V T T < TS+ 0 0 -47.3 -49.2 -179.5 47.6 76.6 24.4 125 -1.8 203 -2.7 0 0.0 130 -1.3 11 42
129 A 129 ASP D T T 3 TS+ 0 0 -95.0 64.8 -179.4 94.8 100.4 119.9 0 0.0 0 0.0 0 0.0 0 0.0 10 31
130 A 130 THR T S t < TS- 0 0 -146.2 161.4 179.2 -115.6 83.6 160.3 128 -1.3 0 0.0 127 -0.8 0 0.0 9 26
131 A 131 GLU E S S S+ 0 0 -67.6 -41.2 178.9 40.0 124.1 24.9 0 0.0 0 0.0 0 0.0 0 0.0 6 21
132 A 132 SER S S S S- 0 0 -80.2 -14.3 178.2 -169.7 104.9 52.5 0 0.0 0 0.0 0 0.0 0 0.0 6 26
133 A 133 GLY G - 0 0 57.0 -165.6 -179.8 -49.6 24.4 86.9 0 0.0 0 0.0 0 0.0 0 0.0 13 35
134 A 134 ALA A E E B I - 0 201 -106.0 161.1 178.8 -142.9 35.8 131.0 201 -2.4 201 -1.9 0 0.0 136 -0.5 15 44
135 A 135 THR T E E B I - 0 200 -127.6 103.2 -179.8 -172.7 16.0 156.3 0 0.0 137 -0.6 0 0.0 0 0.0 10 45
136 A 136 CYS C E E B I - 0 199 -99.0 117.7 -179.8 -157.7 9.6 150.7 199 -2.6 199 -3.5 134 -0.5 0 0.0 10 61
137 A 137 ARG R E E B I - 0 198 -101.2 132.7 -179.7 -169.2 6.9 147.7 135 -0.6 0 0.0 0 0.0 0 0.0 10 54
138 A 138 ILE I E E B I - 0 197 -122.9 120.2 -179.8 -161.5 4.3 169.0 197 -2.8 197 -2.6 0 0.0 140 -0.5 14 59
139 A 139 LYS K E E B I + 0 196 -106.5 124.5 179.0 174.8 13.1 154.0 0 0.0 89 -2.6 0 0.0 0 0.0 11 49
140 A 140 ILE I E E BFI + 88 195 -133.3 132.8 180.0 135.1 12.0 172.2 195 -2.0 195 -2.3 138 -0.5 0 0.0 11 60
141 A 141 GLY G E E BF - 87 0 -158.7 174.0 179.9 -52.1 58.1 162.2 87 -1.6 87 -1.2 0 0.0 0 0.0 14 55
142 A 142 SER S E E BF - 86 0 -56.0 142.9 -178.9 -152.8 39.3 103.5 0 0.0 0 0.0 0 0.0 0 0.0 14 51
143 A 143 TRP W S e S+ 0 0 -88.6 -32.3 -178.4 16.2 88.9 36.3 85 -1.8 0 0.0 0 0.0 0 0.0 7 37
144 A 144 THR T S S S+ 0 0 -118.4 -13.6 -179.8 80.2 108.9 54.5 0 0.0 146 -0.5 0 0.0 0 0.0 5 36
145 A 145 HIS H - 0 0 -104.0 127.6 179.2 -151.4 62.6 148.7 0 0.0 0 0.0 0 0.0 0 0.0 10 40
146 A 146 HIS H t > > T - 0 0 -83.6 177.6 -178.9 -80.0 41.8 103.8 144 -0.5 150 -2.9 0 0.0 149 -2.1 12 41
147 A 147 SER S T T 4 3 TS+ 0 0 -50.8 -26.1 -179.2 60.7 125.4 47.6 191 -2.9 0 0.0 0 0.0 0 0.0 12 41
148 A 148 ARG R T T 4 3 TS+ 0 0 -78.6 -18.0 -178.7 27.2 118.8 46.8 0 0.0 0 0.0 0 0.0 0 0.0 9 34
149 A 149 GLU E T e 4 < TS+ 0 0 -109.2 -47.0 178.0 22.9 132.3 40.6 146 -2.1 27 -3.6 0 0.0 0 0.0 11 41
150 A 150 ILE I E E T - 0 0 -51.4 121.3 -178.6 -128.6 34.8 108.2 0 0.0 163 -2.2 0 0.0 0 0.0 5 26
161 A 161 ASP D T T 3 TS+ 0 0 -51.1 -13.4 -180.0 33.1 103.4 54.5 0 0.0 0 0.0 0 0.0 0 0.0 10 38
162 A 162 SER S T T 3 TS+ 0 0 -135.0 30.4 -179.6 115.4 74.5 84.4 0 0.0 0 0.0 0 0.0 0 0.0 9 38
163 A 163 GLU E S t < TS+ 0 0 -73.5 -12.3 178.1 35.2 93.7 48.8 160 -2.2 0 0.0 0 0.0 0 0.0 6 25
164 A 164 TYR Y S S S+ 0 0 -114.4 -5.3 -179.3 118.6 93.0 65.4 0 0.0 0 0.0 0 0.0 0 0.0 8 34
165 A 165 PHE F S S S- 0 0 -64.9 143.2 179.2 -106.5 73.2 108.5 0 0.0 0 0.0 0 0.0 0 0.0 8 38
166 A 166 SER S t > T - 0 0 -70.8 138.6 -179.3 -151.9 18.9 119.8 36 -2.4 169 -0.5 0 0.0 0 0.0 7 31
167 A 167 GLN Q T T 3 TS+ 0 0 -83.2 -21.4 -178.4 60.2 93.5 44.1 0 0.0 0 0.0 0 0.0 0 0.0 4 25
168 A 168 TYR Y T T 3 TS+ 0 0 -87.1 1.6 179.1 124.8 78.0 64.2 0 0.0 0 0.0 0 0.0 0 0.0 4 23
169 A 169 SER S t < T - 0 0 -62.0 145.0 -180.0 -130.0 69.6 106.6 166 -0.5 0 0.0 0 0.0 0 0.0 9 30
170 A 170 ARG R S e S+ 0 0 -68.6 -16.0 -178.5 48.5 92.9 46.0 0 0.0 204 -1.9 0 0.0 0 0.0 8 31
171 A 171 PHE F E E BJ S- 203 0 -120.1 177.4 179.7 -144.7 71.2 128.5 0 0.0 0 0.0 0 0.0 0 0.0 9 45
172 A 172 GLU E E E BJ - 202 0 -141.5 155.4 -178.6 -117.0 19.0 165.8 202 -2.3 202 -2.0 0 0.0 174 -0.5 9 47
173 A 173 ILE I E E BJ + 201 0 -101.4 129.8 178.9 178.1 21.7 145.4 0 0.0 0 0.0 0 0.0 0 0.0 11 51
174 A 174 LEU L E E B* - 0 0 -87.5 -56.9 -179.7 -23.9 69.3 21.9 200 -2.5 0 0.0 172 -0.5 0 0.0 7 43
175 A 175 ASP D E E BJ - 200 0 -157.1 156.0 179.4 -154.8 47.7 174.3 200 -1.8 200 -2.6 0 0.0 0 0.0 8 42
176 A 176 VAL V E E BJ + 199 0 -135.8 127.7 178.2 172.9 17.8 175.3 0 0.0 0 0.0 0 0.0 0 0.0 10 47
177 A 177 THR T E E BJ - 198 0 -135.7 148.8 -179.2 -155.7 15.1 168.4 198 -1.4 198 -3.1 0 0.0 0 0.0 8 38
178 A 178 GLN Q E E BJ + 197 0 -128.5 127.6 -179.7 177.4 11.4 172.2 0 0.0 0 0.0 0 0.0 0 0.0 9 42
179 A 179 LYS K E E BJ - 196 0 -132.0 115.8 -179.3 -135.2 23.6 165.5 196 -2.4 196 -1.5 0 0.0 0 0.0 8 34
180 A 180 LYS K E E BJ - 195 0 -68.1 155.4 -180.0 -169.0 24.2 104.5 0 0.0 0 0.0 0 0.0 0 0.0 11 41
181 A 181 ASN N E E BJ - 194 0 -134.7 179.2 179.4 -146.4 19.0 141.5 194 -3.2 194 -1.3 0 0.0 0 0.0 8 36
182 A 182 SER S E E BJ - 193 0 -154.9 106.5 -177.8 -177.5 23.6 144.5 0 0.0 0 0.0 0 0.0 0 0.0 9 35
183 A 183 VAL V E E BJ - 192 0 -114.1 145.7 175.9 -155.6 19.9 147.1 192 -1.4 192 -3.7 0 0.0 0 0.0 8 32
184 A 184 THR T E E BJ - 191 0 -114.1 127.2 -178.3 -153.9 21.3 167.6 0 0.0 0 0.0 0 0.0 0 0.0 9 23
185 A 185 TYR Y E E BJ > T - 188 0 -107.9 142.9 179.7 -130.4 23.0 148.3 188 -0.7 188 -0.9 190 -0.7 0 0.0 8 21
186 A 186 SER S T T 3 TS+ 0 0 -52.3 -36.5 179.7 56.8 112.5 29.6 0 0.0 0 0.0 0 0.0 0 0.0 5 11
187 A 187 CYS C T T 3 TS+ 0 0 -60.1 -38.0 -170.8 48.8 110.6 29.5 0 0.0 0 0.0 0 0.0 0 0.0 4 12
188 A 188 CYS C E E B J< T - 0 185 -127.4 125.2 179.9 -147.1 67.7 158.0 185 -0.9 185 -0.7 0 0.0 0 0.0 7 18
189 A 189 PRO P E E B * S+ 0 0 -41.4 -58.7 -177.8 48.8 80.7 35.5 0 0.0 0 0.0 0 0.0 0 0.0 7 18
190 A 190 GLU E E E B * S- 0 0 -86.3 180.0 -179.3 -91.8 92.1 101.2 0 0.0 185 -0.7 0 0.0 0 0.0 8 25
191 A 191 ALA A E E B J - 0 184 -97.7 144.1 -180.0 -150.8 27.4 137.1 0 0.0 147 -2.9 0 0.0 193 -0.6 11 28
192 A 192 TYR Y E E B J - 0 183 -120.7 105.8 179.3 -151.1 8.9 152.8 183 -3.7 183 -1.4 0 0.0 0 0.0 12 41
193 A 193 GLU E E E B J + 0 182 -67.4 152.8 -179.9 169.4 22.1 106.3 191 -0.6 0 0.0 0 0.0 0 0.0 15 46
194 A 194 ASP D E E B J - 0 181 -162.7 152.7 179.0 -120.1 32.8 167.1 181 -1.3 181 -3.2 0 0.0 196 -0.5 15 54
195 A 195 VAL V E E BIJ - 140 180 -102.2 126.0 179.5 -153.3 22.3 152.8 140 -2.3 140 -2.0 0 0.0 197 -0.6 15 53
196 A 196 GLU E E E BIJ - 139 179 -101.8 123.9 -179.9 -165.6 8.8 150.7 179 -1.5 179 -2.4 194 -0.5 198 -0.5 12 47
197 A 197 VAL V E E BIJ - 138 178 -111.3 126.7 179.6 -154.7 5.5 160.2 138 -2.6 138 -2.8 195 -0.6 199 -0.6 12 55
198 A 198 SER S E E BIJ - 137 177 -103.7 118.4 -179.8 -160.6 3.9 153.7 177 -3.1 177 -1.4 196 -0.5 200 -0.8 11 50
199 A 199 LEU L E E BIJ - 136 176 -102.3 104.2 178.2 -172.6 6.0 147.9 136 -3.5 136 -2.6 197 -0.6 201 -0.8 13 58
200 A 200 ASN N E E BIJ + 135 175 -97.5 109.8 -179.9 137.9 29.1 149.6 175 -2.6 174 -2.5 198 -0.8 175 -1.8 12 46
201 A 201 PHE F E E BIJ - 134 173 -140.2 176.7 179.5 -164.3 29.5 147.3 134 -1.9 134 -2.4 199 -0.8 0 0.0 13 54
202 A 202 ARG R E E B J - 0 172 -160.6 161.4 178.7 -79.0 38.1 167.6 172 -2.0 172 -2.3 0 0.0 0 0.0 16 48
203 A 203 LYS K E E B J - 0 171 -66.6 142.4 -178.9 -92.3 63.9 115.8 128 -2.7 0 0.0 0 0.0 0 0.0 11 39
204 A 204 LYS K e 0 0 -62.8 113.4 -178.7 999.9 999.9 118.6 170 -1.9 0 0.0 0 0.0 0 0.0 7 30
205 A 205 GLY G 0 0 -38.1 999.9 999.9 999.9 999.9 37.1 0 0.0 0 0.0 0 0.0 0 0.0 4 20
1i9bA.pdb
1I9B LIGAND BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHHH TTS BTTB EEEEEEEEEEEEEEEETTTTEEEEEEEEEEEEE GGG TTS SEEEEEGGGS EEETTBSS EE S Kabs/Sand
chirality -+++++++++++--++--+---+---+--+---+--++---++-+--+-+---+++-+-++++-++++--++----+++----+---++-+-----+-- chirality
bends SSSSSSSSSSS SSS SS SSS SSS SSS S SSSS SS SS S bends
turns TTTTTTTTTTTTTTTTT TTTT TTTTTT TTTTT TTTT TTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >>3<< >33< >>3<< >33< 3-turns
bridge-2 BBBBBB*BB*BBB CCCCCCC DDDD bridge-2
bridge-1 A A aaaa BBBBBBBBBBB EEEEE FFF B GG bridge-1
sheets AAAAAAAAAAAAAAAA AAAAAAAAAAAAA AAAAA BBB AA sheets
4-turns >>>>XXXXX<<<< >444< 4-turns
summary hHHHHHHHHHHHhtTTt BTTB EEEEEEEEEEEEEEEETTTeEEEEEEEEEEEEEeGGGg tTTt eEEEEEeGGg eEEEeTBSS EEeS summary
sequence FDRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEITNEVDVVFWQQTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLTP sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEEETTTEEEE EEEEEEE TTTTSSS EEEEEEEEESS TTTEEEE S TTSSS TT SEEEEEEEEEEEEEEETTEEEEEEEEEEEEE Kabs/Sand
chirality +-----+-+--+++---+---+-++++++-+-------++--++--+++--+--++++--++++--++-+--+--+-+-------++-+---+------+ chirality
bends SSS SSSSSSS SS SSS S SSSSS SS SS SS SS bends
turns TTTTT TTTTTT TTTTT TTTT TTTT TTTT turns
5-turns 5-turns
3-turns >33< >3><3< >33< >33< >33< >33< 3-turns
bridge-2 HHH HHH GG B IIIIIII J**JJJJJJJJJJ bridge-2
bridge-1 EEEEE DDDD CCCCCCC FFF aaaa JJJ*JJJJJJJJJJJ IIIIII bridge-1
sheets AAAAA AAAA AAAAAAA BBBBBBBBB AAAA BBBBBBBBBBBBBBB BBBBBBBBBBBBB sheets
4-turns >444< >444< 4-turns
summary eEEEEEeTeEEEE eEEEEEEEe tTTTTtSS EEEEEEEEEeS tTTeEEEE StTTtSStTTteEEEEEEEEEEEEEEETTEEEEEEEEEEEEE summary
sequence QLARVVSDGEVLYMPSIRQRFSCDVSGVDTESGATCRIKIGSWTHHSREISVDPTTENSDDSEYFSQYSRFEILDVTQKKNSVTYSCCPEAYEDVEVSLN sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EEE Kabs/Sand
chirality --- chirality
bends bends
turns turns
5-turns 5-turns
3-turns 3-turns
bridge-2 JJJ bridge-2
bridge-1 I bridge-1
sheets BBB sheets
4-turns 4-turns
summary EEEe summary
sequence FRKKG sequence