Secondary structure calculation program - copyright by David Keith Smith, 1989
1i60A.pdb
1I60 STRUCTURAL GENOMICS, UNKNOWN FUNCTION MOL_ID: 1; MOL_ID: 1;
Sequence length - 272
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 2 LYS K e 0 0 999.9 159.9 -177.5 999.9 999.9 999.9 0 0.0 238 -2.2 0 0.0 0 0.0 8 43
2 A 3 LEU L E E Aa - 238 0 -107.5 128.5 -179.7 -175.2 999.9 151.0 0 0.0 28 -2.3 0 0.0 29 -2.2 9 53
3 A 4 CYS C E E Aab - 239 29 -122.6 151.3 179.3 -143.1 14.9 153.0 238 -3.0 240 -1.9 0 0.0 0 0.0 14 65
4 A 5 PHE F E E Aab - 240 30 -115.2 132.7 178.7 -151.6 7.5 161.1 29 -1.5 31 -2.8 0 0.0 6 -0.5 14 67
5 A 6 ASN N E E A b> T - 0 31 -103.7 126.8 -177.7 -138.7 14.7 154.6 240 -1.8 8 -1.8 0 0.0 0 0.0 12 76
6 A 7 GLU E G e > TS+ 0 0 -61.1 -15.4 177.9 78.4 93.8 52.2 31 -1.3 9 -1.1 4 -0.5 0 0.0 14 68
7 A 8 ALA A G G > TS+ 0 0 -61.0 -29.7 -178.9 69.2 83.5 30.5 0 0.0 10 -1.9 0 0.0 0 0.0 9 59
8 A 9 THR T G G < TS+ 0 0 -57.0 -33.5 179.1 26.3 113.2 33.7 5 -1.8 0 0.0 0 0.0 0 0.0 15 65
9 A 10 THR T G G > < TS+ 0 0 -121.5 37.4 -178.7 136.7 83.5 99.8 6 -1.1 13 -0.7 0 0.0 0 0.0 15 54
10 A 11 LEU L T g 4 < TS+ 0 0 -50.8 -51.0 -176.5 25.0 80.3 23.9 7 -1.9 0 0.0 0 0.0 0 0.0 10 48
11 A 12 GLU E T T 4 TS+ 0 0 -99.9 1.7 -178.5 47.2 124.9 65.1 0 0.0 0 0.0 0 0.0 0 0.0 5 34
12 A 13 ASN N T T 4 TS+ 0 0 -131.1 23.4 177.7 24.8 111.4 83.2 0 0.0 0 0.0 0 0.0 0 0.0 10 35
13 A 14 SER S t < T - 0 0 -163.3 -174.9 177.7 -135.2 60.1 157.3 9 -0.7 0 0.0 0 0.0 0 0.0 10 42
14 A 15 ASN N h > T - 0 0 -146.7 168.3 -179.0 -94.7 39.2 156.7 0 0.0 18 -3.0 0 0.0 0 0.0 11 42
15 A 16 LEU L H H > TS+ 0 0 -55.4 -46.4 -179.9 53.1 121.3 25.2 0 0.0 19 -2.6 0 0.0 0 0.0 11 56
16 A 17 LYS K H H > TS+ 0 0 -56.0 -46.8 -179.5 39.5 115.8 22.2 0 0.0 20 -1.9 0 0.0 0 0.0 7 49
17 A 18 LEU L H H > TS+ 0 0 -72.1 -38.6 178.4 56.5 112.2 28.4 0 0.0 21 -2.7 0 0.0 0 0.0 9 44
18 A 19 ASP D H H X TS+ 0 0 -58.8 -40.9 -179.9 49.1 108.5 27.1 14 -3.0 22 -2.5 0 0.0 0 0.0 13 58
19 A 20 LEU L H H X TS+ 0 0 -64.3 -49.7 -179.9 48.3 110.9 17.6 15 -2.6 23 -2.3 0 0.0 0 0.0 10 55
20 A 21 GLU E H H X TS+ 0 0 -55.3 -50.2 -178.6 39.7 118.7 21.6 16 -1.9 24 -2.0 0 0.0 0 0.0 8 42
21 A 22 LEU L H H X TS+ 0 0 -72.4 -37.1 179.1 50.1 114.4 32.0 17 -2.7 25 -2.1 0 0.0 0 0.0 11 44
22 A 23 CYS C H H < >TS+ 0 0 -69.6 -35.1 178.3 48.2 113.4 28.2 18 -2.5 27 -2.8 0 0.0 0 0.0 13 51
23 A 24 GLU E H H < >5TS+ 0 0 -67.6 -43.4 179.2 50.8 111.0 24.3 19 -2.3 26 -1.3 0 0.0 0 0.0 12 41
24 A 25 LYS K H H < 35TS+ 0 0 -60.8 -38.6 -177.5 49.0 111.6 28.3 20 -2.0 0 0.0 0 0.0 0 0.0 7 35
25 A 26 HIS H T h < 35TS- 0 0 -94.7 22.7 175.8 -102.1 119.6 82.4 21 -2.1 0 0.0 0 0.0 0 0.0 7 35
26 A 27 GLY G T T <5T + 0 0 72.6 21.9 178.0 160.2 59.8 46.8 23 -1.3 0 0.0 0 0.0 0 0.0 7 35
27 A 28 TYR Y t T 0 0 999.9 -58.1 -177.7 999.9 999.9 999.9 0 0.0 39 -2.4 0 0.0 0 0.0 6 29
36 A 38 LYS K H H > T + 0 0 -56.9 -51.9 -179.6 43.4 999.9 24.7 0 0.0 40 -2.5 0 0.0 0 0.0 11 40
37 A 39 LEU L H H > TS+ 0 0 -63.4 -48.7 179.6 48.1 114.9 19.9 33 -2.5 41 -2.4 0 0.0 0 0.0 10 48
38 A 40 PRO P H H 4 TS+ 0 0 -57.8 -43.9 -179.9 50.3 112.7 20.7 0 0.0 0 0.0 0 0.0 0 0.0 8 27
39 A 41 GLU E H H < > TS+ 0 0 -57.6 -49.0 179.9 49.6 110.1 19.9 35 -2.4 42 -1.6 0 0.0 0 0.0 8 27
40 A 42 TYR Y H H < > TS+ 0 0 -57.6 -40.7 -178.4 59.9 104.2 28.2 36 -2.5 43 -1.4 0 0.0 0 0.0 11 31
41 A 43 LEU L T h < 3 TS+ 0 0 -71.1 -0.3 179.2 82.7 83.0 62.4 37 -2.4 0 0.0 0 0.0 0 0.0 9 27
42 A 44 LYS K T T < TS+ 0 0 -74.6 -25.1 179.2 10.1 115.8 39.8 39 -1.6 0 0.0 0 0.0 0 0.0 7 18
43 A 45 ASP D S t < TS+ 0 0 -139.4 20.9 179.1 56.6 129.4 84.1 40 -1.4 0 0.0 0 0.0 0 0.0 5 17
44 A 46 HIS H S S S- 0 0 -148.5 156.5 178.5 -129.4 71.1 166.8 0 0.0 0 0.0 0 0.0 0 0.0 8 23
45 A 47 SER S h > T - 0 0 -107.6 158.3 178.0 -116.6 26.5 137.5 0 0.0 49 -1.9 0 0.0 0 0.0 8 23
46 A 48 LEU L H H > TS+ 0 0 -58.5 -35.2 179.2 58.3 120.0 27.9 0 0.0 50 -2.5 0 0.0 0 0.0 10 35
47 A 49 ASP D H H > TS+ 0 0 -62.4 -36.5 177.9 53.7 101.5 28.6 0 0.0 51 -2.2 0 0.0 0 0.0 8 27
48 A 50 ASP D H H > TS+ 0 0 -60.8 -45.8 -179.1 46.3 111.1 20.9 0 0.0 52 -1.7 0 0.0 0 0.0 8 29
49 A 51 LEU L H H X TS+ 0 0 -64.7 -40.3 178.6 52.4 109.9 28.2 45 -1.9 53 -2.0 0 0.0 0 0.0 10 48
50 A 52 ALA A H H X TS+ 0 0 -62.2 -39.2 179.3 51.4 109.4 27.5 46 -2.5 54 -1.7 0 0.0 0 0.0 11 37
51 A 53 GLU E H H X TS+ 0 0 -66.7 -35.0 178.6 55.3 105.7 32.0 47 -2.2 55 -1.5 0 0.0 0 0.0 8 27
52 A 54 TYR Y H H < TS+ 0 0 -63.8 -46.1 180.0 45.3 109.6 20.9 48 -1.7 0 0.0 0 0.0 0 0.0 8 37
53 A 55 PHE F H H < > TS+ 0 0 -66.7 -31.7 179.5 55.1 110.4 33.4 49 -2.0 56 -0.7 0 0.0 0 0.0 12 43
54 A 56 GLN Q H H < 3 TS+ 0 0 -69.6 -30.6 -177.6 41.1 113.9 34.0 50 -1.7 0 0.0 0 0.0 0 0.0 7 26
55 A 57 THR T T h < 3 TS+ 0 0 -105.5 14.7 178.7 51.5 113.3 78.5 51 -1.5 0 0.0 0 0.0 0 0.0 6 21
56 A 58 HIS H S t < TS- 0 0 -141.5 168.2 -179.6 -113.6 82.0 156.2 53 -0.7 0 0.0 0 0.0 0 0.0 8 28
57 A 59 HIS H S S S+ 0 0 -71.1 -45.9 -178.2 86.7 87.5 22.7 0 0.0 0 0.0 0 0.0 0 0.0 8 31
58 A 60 ILE I - 0 0 -59.3 146.4 179.9 -172.0 58.3 100.9 0 0.0 0 0.0 0 0.0 0 0.0 13 44
59 A 61 LYS K E E Ac - 29 0 -136.2 160.9 179.7 -97.8 31.2 157.2 28 -1.7 30 -1.5 0 0.0 61 -0.6 10 52
60 A 62 PRO P E E Ac - 30 0 -84.5 121.1 179.8 -176.8 32.1 135.7 0 0.0 95 -0.8 0 0.0 0 0.0 14 60
61 A 63 LEU L E E A* - 0 0 -81.5 -46.4 -177.4 -13.6 61.7 24.5 30 -2.3 96 -2.0 59 -0.6 95 -0.5 12 59
62 A 64 ALA A E E Acd - 31 96 -155.4 162.7 176.0 -115.9 55.0 169.6 30 -0.8 32 -2.0 0 0.0 64 -0.5 12 69
63 A 65 LEU L E E Acd - 32 97 -98.7 128.1 -176.7 -117.1 48.9 153.3 96 -2.2 98 -2.3 0 0.0 65 -0.6 14 59
64 A 66 ASN N E E Ac* - 33 0 -85.0 121.6 176.1 -19.8 62.9 124.7 32 -3.2 34 -0.9 62 -0.5 0 0.0 11 62
65 A 67 ALA A E E A * - 0 0 56.6 111.2 170.7 -153.7 30.6 16.4 63 -0.6 67 -0.9 0 0.0 0 0.0 10 59
66 A 68 LEU L E E A d - 0 99 -95.5 110.2 -174.9 -134.9 51.8 163.7 98 -2.0 100 -2.7 0 0.0 0 0.0 12 57
67 A 69 VAL V E E A d - 0 100 -92.2 126.6 179.5 -5.7 61.1 134.2 65 -0.9 0 0.0 0 0.0 0 0.0 9 46
68 A 70 PHE F e + 0 0 65.3 60.3 -177.6 164.8 69.5 15.9 100 -1.8 0 0.0 0 0.0 0 0.0 11 52
69 A 71 PHE F + 0 0 -79.0 -23.6 -177.7 71.8 47.5 43.5 100 -1.4 0 0.0 0 0.0 0 0.0 14 56
70 A 72 ASN N S S S+ 0 0 -100.3 161.7 178.4 11.8 92.9 124.5 0 0.0 0 0.0 0 0.0 0 0.0 11 61
71 A 73 ASN N S S S+ 0 0 45.1 49.7 179.3 146.8 82.9 32.4 0 0.0 0 0.0 0 0.0 0 0.0 9 45
72 A 74 ARG R - 0 0 -107.6 157.9 178.0 -114.1 47.4 135.9 0 0.0 0 0.0 0 0.0 0 0.0 10 41
73 A 75 ASP D h > T - 0 0 -80.8 -177.3 -178.3 -80.3 47.9 99.9 0 0.0 77 -2.9 0 0.0 0 0.0 6 24
74 A 76 GLU E H H > TS+ 0 0 -51.6 -44.2 -179.9 46.0 132.2 27.9 0 0.0 78 -1.7 0 0.0 0 0.0 6 17
75 A 77 LYS K H H > TS+ 0 0 -65.8 -49.5 -179.8 46.4 113.9 21.1 0 0.0 79 -1.8 0 0.0 0 0.0 7 16
76 A 78 GLY G H H > TS+ 0 0 -62.4 -38.2 179.2 54.2 109.8 29.9 0 0.0 80 -2.4 0 0.0 0 0.0 8 26
77 A 79 HIS H H H X TS+ 0 0 -62.8 -40.0 179.1 52.2 107.0 24.8 73 -2.9 81 -2.7 0 0.0 0 0.0 11 32
78 A 80 ASN N H H X TS+ 0 0 -63.0 -39.0 179.1 50.1 108.7 27.6 74 -1.7 82 -2.4 0 0.0 0 0.0 8 26
79 A 81 GLU E H H X TS+ 0 0 -64.1 -43.8 -179.3 48.7 112.2 22.6 75 -1.8 83 -2.4 0 0.0 0 0.0 8 26
80 A 82 ILE I H H X TS+ 0 0 -63.0 -48.9 180.0 42.7 114.2 22.1 76 -2.4 84 -2.2 0 0.0 0 0.0 12 41
81 A 83 ILE I H H X TS+ 0 0 -67.2 -40.6 179.6 52.6 113.7 24.8 77 -2.7 85 -2.5 0 0.0 0 0.0 9 39
82 A 84 THR T H H X TS+ 0 0 -61.5 -45.9 -179.7 45.1 112.0 19.7 78 -2.4 86 -1.8 0 0.0 0 0.0 8 30
83 A 85 GLU E H H < TS+ 0 0 -66.3 -38.0 -179.7 52.7 111.6 26.2 79 -2.4 0 0.0 0 0.0 0 0.0 8 38
84 A 86 PHE F H H < TS+ 0 0 -63.8 -41.4 179.6 50.5 108.2 23.4 80 -2.2 0 0.0 0 0.0 0 0.0 8 51
85 A 87 LYS K H H < T 0 0 -63.2 -35.6 179.5 999.9 999.9 28.5 81 -2.5 0 0.0 0 0.0 0 0.0 7 41
86!A 88 GLY G h < T 0 0 -68.6 999.9 999.9 999.9 999.9 25.8 82 -1.8 88 -1.5 0 0.0 0 0.0 6 33
87!A 91 GLU E h > T 0 0 999.9 -37.4 179.4 999.9 999.9 999.9 0 0.0 91 -2.2 0 0.0 0 0.0 6 35
88 A 92 THR T H H > T + 0 0 -66.2 -42.6 179.4 50.0 999.9 24.1 86 -1.5 92 -2.4 0 0.0 0 0.0 8 48
89 A 93 CYS C H H > >TS+ 0 0 -61.9 -41.2 179.8 50.5 110.5 27.9 0 0.0 93 -1.8 0 0.0 94 -1.8 11 45
90 A 94 LYS K H H 4 5TS+ 0 0 -64.7 -44.3 -179.7 45.8 112.3 24.4 0 0.0 0 0.0 0 0.0 0 0.0 8 33
91 A 95 THR T H H < 5TS+ 0 0 -67.7 -39.2 -177.5 34.0 123.2 27.3 87 -2.2 0 0.0 0 0.0 0 0.0 10 34
92 A 96 LEU L H H < 5TS- 0 0 -95.1 -10.2 -179.9 -117.1 106.6 54.9 88 -2.4 0 0.0 0 0.0 0 0.0 12 46
93 A 97 GLY G T h < 5T + 0 0 76.5 36.0 -179.7 174.8 48.8 31.4 89 -1.8 0 0.0 0 0.0 0 0.0 8 39
94 A 98 VAL V t > T - 0 0 -60.5 146.1 -177.8 -117.4 28.9 105.8 0 0.0 113 -1.8 0 0.0 112 -1.1 6 22
110 A 114 LYS K H H > 3 TS+ 0 0 -57.3 -31.7 179.7 55.7 112.4 37.6 0 0.0 114 -2.5 0 0.0 0 0.0 6 35
111 A 115 GLU E H H > 3 TS+ 0 0 -73.4 -24.2 179.5 48.8 108.1 38.2 0 0.0 115 -2.2 0 0.0 0 0.0 6 26
112 A 116 GLU E H H > < TS+ 0 0 -79.9 -35.0 178.1 47.5 112.9 34.9 109 -1.1 116 -1.9 0 0.0 0 0.0 9 30
113 A 117 ILE I H H X TS+ 0 0 -70.6 -41.2 179.6 47.7 114.5 26.5 109 -1.8 117 -2.5 0 0.0 0 0.0 13 45
114 A 118 LYS K H H X TS+ 0 0 -65.9 -47.1 -178.9 47.9 112.1 20.0 110 -2.5 118 -2.8 0 0.0 0 0.0 9 42
115 A 119 LYS K H H X TS+ 0 0 -61.8 -43.8 179.8 44.4 115.7 23.4 111 -2.2 119 -2.6 0 0.0 0 0.0 8 33
116 A 120 SER S H H X TS+ 0 0 -65.6 -48.5 179.9 48.4 114.7 18.3 112 -1.9 120 -3.1 0 0.0 0 0.0 10 42
117 A 121 SER S H H X TS+ 0 0 -58.0 -44.6 179.9 46.6 114.1 25.1 113 -2.5 121 -2.7 0 0.0 0 0.0 12 60
118 A 122 VAL V H H X TS+ 0 0 -65.1 -44.8 179.8 48.2 113.8 22.3 114 -2.8 122 -2.0 0 0.0 0 0.0 12 49
119 A 123 ASP D H H X TS+ 0 0 -62.3 -48.1 -179.8 43.1 115.8 19.5 115 -2.6 123 -2.0 0 0.0 0 0.0 9 42
120 A 124 VAL V H H X TS+ 0 0 -65.9 -44.7 179.4 50.8 113.2 20.6 116 -3.1 124 -3.0 0 0.0 0 0.0 10 57
121 A 125 LEU L H H X TS+ 0 0 -61.4 -32.5 178.9 51.9 109.8 30.9 117 -2.7 125 -2.5 0 0.0 0 0.0 10 63
122 A 126 THR T H H X TS+ 0 0 -69.9 -39.4 178.7 47.9 110.5 25.1 118 -2.0 126 -2.4 0 0.0 0 0.0 10 43
123 A 127 GLU E H H X TS+ 0 0 -66.3 -42.3 178.7 48.1 112.8 22.3 119 -2.0 127 -2.0 0 0.0 0 0.0 8 45
124 A 128 LEU L H H X TS+ 0 0 -62.6 -40.7 179.3 53.1 110.4 24.2 120 -3.0 128 -2.3 0 0.0 0 0.0 11 53
125 A 129 SER S H H X TS+ 0 0 -59.6 -45.9 179.8 51.8 106.5 22.5 121 -2.5 129 -1.8 0 0.0 0 0.0 13 47
126 A 130 ASP D H H < TS+ 0 0 -57.2 -43.1 -179.3 47.1 112.0 24.7 122 -2.4 0 0.0 0 0.0 0 0.0 7 28
127 A 131 ILE I H H < TS+ 0 0 -66.9 -37.9 -178.2 51.6 111.2 29.7 123 -2.0 0 0.0 0 0.0 0 0.0 9 36
128 A 132 ALA A H H X > TS+ 0 0 -72.5 -29.1 -177.9 82.6 87.5 39.2 124 -2.3 131 -1.6 0 0.0 132 -1.2 11 44
129 A 133 GLU E G h < > TS+ 0 0 -45.9 -54.5 -180.0 49.6 89.3 28.0 125 -1.8 132 -1.1 0 0.0 0 0.0 9 30
130 A 134 PRO P G G 4 3 TS+ 0 0 -61.5 -17.5 179.3 47.2 115.5 41.2 0 0.0 0 0.0 0 0.0 0 0.0 5 28
131 A 135 TYR Y G G 4 < TS- 0 0 -94.5 -16.5 -179.4 -132.7 102.0 53.1 128 -1.6 0 0.0 0 0.0 0 0.0 7 31
132 A 136 GLY G g < < T + 0 0 71.1 16.8 -179.8 145.5 56.8 47.2 128 -1.2 0 0.0 129 -1.1 0 0.0 8 32
133 A 137 VAL V - 0 0 -90.3 144.0 -179.3 -141.8 39.7 130.4 0 0.0 0 0.0 0 0.0 0 0.0 12 47
134 A 138 LYS K E E Ae - 96 0 -108.4 146.3 -179.2 -136.3 6.1 144.8 95 -2.2 97 -2.0 0 0.0 0 0.0 13 53
135 A 139 ILE I E E Aef - 97 165 -104.1 130.1 179.5 -163.0 11.8 149.8 164 -3.6 166 -3.2 0 0.0 137 -0.6 14 68
136 A 140 ALA A E E Aef - 98 166 -116.0 109.3 -179.8 -147.1 11.7 159.3 97 -2.7 99 -2.5 0 0.0 138 -0.5 14 70
137 A 141 LEU L E E Aef - 99 167 -76.9 119.4 179.1 -158.2 10.1 129.6 166 -3.3 168 -2.4 135 -0.6 139 -0.8 14 75
138 A 142 GLU E E E A f - 0 168 -102.6 104.9 177.8 -152.9 4.2 148.4 99 -3.1 0 0.0 136 -0.5 0 0.0 13 66
139 A 143 PHE F e - 0 0 -72.4 143.5 -178.0 -139.8 15.4 122.6 137 -0.8 141 -0.5 168 -0.6 0 0.0 15 67
140 A 144 VAL V - 0 0 -112.3 123.4 -179.4 -137.1 6.3 158.7 147 -1.6 142 -2.4 0 0.0 0 0.0 12 63
141 A 145 GLY G + 0 0 -76.9 65.4 -178.8 120.0 63.8 112.3 139 -0.5 0 0.0 0 0.0 0 0.0 12 52
142 A 146 HIS H t > T - 0 0 -130.1 139.9 -179.5 -128.5 69.3 167.5 140 -2.4 145 -1.8 0 0.0 0 0.0 11 44
143 A 147 PRO P T T 3 TS+ 0 0 -64.6 -11.8 178.9 49.7 110.4 51.5 0 0.0 0 0.0 0 0.0 0 0.0 6 36
144 A 148 GLN Q T T 3 TS+ 0 0 -108.3 7.9 177.6 100.8 86.8 73.2 0 0.0 104 -2.4 0 0.0 146 -0.5 7 33
145 A 149 CYS C B B A < T - 103 0 -96.1 127.8 -178.6 -140.8 69.2 147.1 142 -1.8 0 0.0 0 0.0 0 0.0 12 48
146 A 150 THR T S S S+ 0 0 -57.4 -27.0 178.1 39.1 98.6 43.2 102 -2.7 0 0.0 144 -0.5 0 0.0 10 48
147 A 151 VAL V S S S+ 0 0 -126.1 93.1 -176.1 148.7 72.5 148.4 0 0.0 140 -1.6 0 0.0 0 0.0 11 60
148 A 152 ASN N + 0 0 -113.3 7.5 177.0 61.1 47.4 70.3 0 0.0 0 0.0 0 0.0 0 0.0 13 56
149 A 153 THR T S h > TS- 0 0 -132.9 158.9 -179.2 -120.1 75.5 160.5 0 0.0 153 -2.0 0 0.0 0 0.0 13 48
150 A 154 PHE F H H > TS+ 0 0 -60.6 -48.4 -178.0 48.8 110.3 23.3 0 0.0 154 -2.9 0 0.0 0 0.0 13 57
151 A 155 GLU E H H > TS+ 0 0 -64.5 -35.5 179.8 51.1 110.4 29.8 0 0.0 155 -2.0 0 0.0 0 0.0 10 47
152 A 156 GLN Q H H > TS+ 0 0 -66.0 -44.3 179.9 43.2 114.9 20.7 0 0.0 156 -1.5 0 0.0 0 0.0 9 53
153 A 157 ALA A H H X TS+ 0 0 -67.1 -40.4 -179.4 52.9 112.6 27.1 149 -2.0 157 -2.4 0 0.0 0 0.0 14 65
154 A 158 TYR Y H H X TS+ 0 0 -64.2 -36.8 179.6 54.4 105.4 29.9 150 -2.9 158 -2.6 0 0.0 0 0.0 10 59
155 A 159 GLU E H H X TS+ 0 0 -63.4 -40.9 179.1 48.4 109.5 25.5 151 -2.0 159 -1.8 0 0.0 0 0.0 8 47
156 A 160 ILE I H H X TS+ 0 0 -63.2 -50.9 180.0 47.7 112.2 18.4 152 -1.5 160 -2.2 0 0.0 0 0.0 11 56
157 A 161 VAL V H H X TS+ 0 0 -59.2 -41.4 -179.9 49.4 112.6 27.6 153 -2.4 161 -1.5 0 0.0 0 0.0 15 58
158 A 162 ASN N H H < TS+ 0 0 -69.2 -31.2 179.9 50.1 110.4 33.3 154 -2.6 0 0.0 0 0.0 0 0.0 8 40
159 A 163 THR T H H < TS+ 0 0 -75.3 -32.7 178.1 54.7 106.2 32.9 155 -1.8 0 0.0 0 0.0 0 0.0 7 35
160 A 164 VAL V H H < TS- 0 0 -65.1 -36.2 177.0 -169.3 88.7 29.3 156 -2.2 0 0.0 0 0.0 0 0.0 11 39
161 A 165 ASN N h < T + 0 0 48.0 51.5 179.0 138.5 29.2 30.3 157 -1.5 0 0.0 0 0.0 0 0.0 7 36
162 A 166 ARG R t > T - 0 0 -125.2 139.2 179.7 -136.2 57.3 167.0 0 0.0 165 -1.6 0 0.0 0 0.0 9 38
163 A 167 ASP D T T 3 TS+ 0 0 -64.3 -23.3 -179.3 54.9 106.4 41.1 0 0.0 0 0.0 0 0.0 0 0.0 6 39
164 A 168 ASN N T e 3 TS+ 0 0 -96.4 15.9 178.6 76.3 95.8 75.9 0 0.0 135 -3.6 0 0.0 0 0.0 11 44
165 A 169 VAL V E E Af < T + 135 0 -129.3 117.4 -179.1 131.3 59.3 166.8 162 -1.6 0 0.0 0 0.0 0 0.0 15 55
166 A 170 GLY G E E Af - 136 0 -141.7 -157.7 -177.1 -74.5 44.2 128.2 135 -3.2 137 -3.3 0 0.0 0 0.0 13 59
167 A 171 LEU L E E Afg - 137 191 -118.9 156.5 172.6 -146.2 9.7 140.9 190 -2.7 192 -2.0 0 0.0 193 -1.8 16 71
168 A 172 VAL V E E Afg - 138 193 -111.7 115.6 177.5 -158.4 23.9 170.9 137 -2.4 170 -0.7 0 0.0 139 -0.6 14 72
169 A 173 LEU L E E A g - 0 194 -99.2 112.5 179.8 -174.4 10.4 154.7 193 -2.6 195 -2.9 0 0.0 171 -0.6 13 80
170 A 174 ASP D E E >A g T - 0 195 -109.3 118.9 -178.2 -146.5 20.3 160.7 168 -0.7 174 -2.8 0 0.0 0 0.0 11 78
171 A 175 SER S H H > TS+ 0 0 -52.1 -42.6 179.4 50.2 99.2 30.0 195 -2.4 175 -2.4 169 -0.6 0 0.0 14 69
172 A 176 PHE F H H > TS+ 0 0 -62.7 -49.1 -179.7 46.0 112.7 19.4 0 0.0 176 -3.6 0 0.0 0 0.0 13 65
173 A 177 HIS H H H 4 TS+ 0 0 -61.6 -38.5 179.3 51.9 111.9 27.4 0 0.0 0 0.0 0 0.0 0 0.0 13 68
174 A 178 PHE F H H < TS+ 0 0 -62.2 -44.5 -179.4 37.6 118.4 21.5 170 -2.8 178 -2.6 0 0.0 0 0.0 13 63
175 A 179 HIS H H H < T 0 0 -74.6 -37.7 -175.6 999.9 999.9 29.6 171 -2.4 0 0.0 0 0.0 0 0.0 10 57
176!A 180 ALA A h < T 0 0 -59.1 999.9 999.9 999.9 999.9 52.2 172 -3.6 205 -1.1 0 0.0 0 0.0 13 50
177!A 182 GLY G 0 0 999.9 43.2 178.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 43
178 A 183 SER S - 0 0 -62.7 150.4 -178.1 -108.7 999.9 108.0 174 -2.6 0 0.0 0 0.0 0 0.0 10 44
179 A 184 ASN N h > > T - 0 0 -89.2 123.9 179.9 -149.2 13.0 136.0 0 0.0 182 -1.1 0 0.0 183 -1.0 8 37
180 A 185 ILE I H H > 3 TS+ 0 0 -58.3 -33.3 179.4 64.0 97.7 32.8 0 0.0 184 -2.4 0 0.0 0 0.0 9 38
181 A 186 GLU E H H > 3 TS+ 0 0 -61.3 -31.9 179.4 55.7 97.6 31.3 0 0.0 185 -1.0 0 0.0 0 0.0 6 29
182 A 187 SER S H H 4 < TS+ 0 0 -68.4 -34.4 178.7 47.4 108.4 30.2 179 -1.1 0 0.0 0 0.0 0 0.0 10 37
183 A 188 LEU L H H < > TS+ 0 0 -71.3 -41.1 179.9 55.0 108.0 25.2 179 -1.0 186 -1.6 0 0.0 0 0.0 11 50
184 A 189 LYS K H H < 3 TS+ 0 0 -63.6 -22.2 -179.8 48.3 110.0 43.6 180 -2.4 0 0.0 0 0.0 0 0.0 10 32
185 A 190 GLN Q T h < 3 TS+ 0 0 -99.3 4.0 -179.3 103.7 94.6 68.6 181 -1.0 0 0.0 0 0.0 0 0.0 7 31
186 A 191 ALA A S t < TS- 0 0 -87.8 159.0 178.2 -105.5 80.6 117.0 183 -1.6 188 -0.7 0 0.0 0 0.0 9 42
187 A 192 ASP D g > T - 0 0 -83.2 113.9 -179.4 -148.7 25.2 138.5 0 0.0 190 -2.2 0 0.0 0 0.0 8 40
188 A 193 GLY G G G > TS+ 0 0 -55.0 -27.7 -179.8 66.3 92.7 41.7 232 -0.9 191 -1.4 186 -0.7 0 0.0 9 42
189 A 194 LYS K G G 3 TS+ 0 0 -71.0 -14.3 179.4 61.9 92.4 49.3 0 0.0 0 0.0 0 0.0 0 0.0 7 37
190 A 195 LYS K G e < TS+ 0 0 -89.5 -2.0 177.5 89.1 83.3 63.8 187 -2.2 167 -2.7 0 0.0 192 -0.8 10 51
191 A 196 ILE I E E Ag < T + 167 0 -96.4 106.6 -178.7 169.9 51.0 150.5 188 -1.4 0 0.0 0 0.0 0 0.0 12 60
192 A 197 PHE F E E A* + 0 0 -85.7 -42.7 -178.6 16.1 62.9 28.4 167 -2.0 0 0.0 190 -0.8 0 0.0 9 58
193 A 198 ILE I E E Ag - 168 0 -137.0 140.7 177.2 -153.9 61.2 174.1 167 -1.8 169 -2.6 0 0.0 0 0.0 12 71
194 A 199 TYR Y E E Agh - 169 238 -115.7 125.1 178.4 -160.8 8.7 165.8 237 -0.8 239 -2.8 0 0.0 196 -0.5 12 71
195 A 200 HIS H E E Agh - 170 239 -103.8 125.3 177.6 -158.4 9.6 156.1 169 -2.9 171 -2.4 0 0.0 0 0.0 12 76
196 A 201 ILE I E E A h + 0 240 -106.6 148.5 -178.6 122.7 32.0 145.3 239 -2.7 241 -1.7 194 -0.5 0 0.0 13 77
197 A 202 ASP D - 0 0 -177.2 -177.2 179.0 -136.4 39.3 156.0 0 0.0 0 0.0 0 0.0 0 0.0 15 68
198 A 203 ASP D E E BI - 213 0 -146.4 -175.6 -179.6 -140.4 16.6 145.2 213 -1.5 213 -1.4 0 0.0 0 0.0 16 59
199 A 204 THR T E E BI - 212 0 -156.7 159.5 175.4 -99.3 22.3 176.4 0 0.0 219 -2.4 0 0.0 0 0.0 13 49
200 A 205 GLU E e - 0 0 -70.5 149.8 -174.9 -103.8 55.9 119.5 211 -1.9 202 -1.7 0 0.0 0 0.0 9 35
201 A 206 ASP D + 0 0 -80.1 53.3 178.3 143.4 65.8 106.1 0 0.0 0 0.0 0 0.0 0 0.0 6 32
202 A 207 PHE F - 0 0 -86.1 158.0 -180.0 -91.0 58.5 122.1 200 -1.7 0 0.0 0 0.0 0 0.0 6 27
203 A 208 PRO P t > > T - 0 0 -66.1 154.5 178.4 -88.4 51.1 106.2 0 0.0 206 -2.0 0 0.0 207 -0.9 7 26
204 A 209 ILE I T T 4 3 TS+ 0 0 -61.0 142.4 -178.6 38.5 118.1 110.7 0 0.0 0 0.0 0 0.0 0 0.0 8 34
205 A 210 GLY G T T 4 3 TS+ 0 0 104.6 -32.1 179.4 63.4 110.1 93.8 176 -1.1 0 0.0 0 0.0 0 0.0 7 30
206 A 211 PHE F T T 4 < TS+ 0 0 -94.1 -24.4 -178.1 105.0 79.0 45.9 203 -2.0 0 0.0 0 0.0 0 0.0 6 26
207 A 212 LEU L t < T + 0 0 -66.0 132.9 178.0 172.2 42.0 110.9 203 -0.9 0 0.0 0 0.0 0 0.0 10 39
208 A 213 THR T g > T - 0 0 -132.7 161.7 -177.1 -96.8 48.6 153.2 0 0.0 211 -2.5 0 0.0 0 0.0 8 41
209 A 214 ASP D G G > TS+ 0 0 -56.1 -24.5 179.6 68.0 117.4 41.3 0 0.0 212 -1.6 0 0.0 243 -0.6 8 54
210 A 215 GLU E G G 3 TS+ 0 0 -70.1 -10.3 -179.8 67.1 90.5 50.7 0 0.0 0 0.0 0 0.0 0 0.0 8 37
211 A 216 ASP D G e < TS+ 0 0 -86.9 -4.7 -179.8 114.7 75.4 59.8 208 -2.5 200 -1.9 0 0.0 0 0.0 10 44
212 A 217 ARG R E E BI < T - 199 0 -66.1 149.4 176.3 -173.0 44.1 108.5 209 -1.6 0 0.0 0 0.0 0 0.0 15 54
213 A 218 VAL V E E BI - 198 0 -135.1 167.5 -179.0 -64.0 39.6 151.3 198 -1.4 198 -1.5 0 0.0 0 0.0 12 52
214 A 219 TRP W S t > TS- 0 0 -53.6 143.7 179.5 -81.8 70.8 99.5 0 0.0 217 -2.7 0 0.0 0 0.0 13 54
215 A 220 PRO P T T 3 TS+ 0 0 -48.4 129.6 178.9 15.5 118.5 101.2 0 0.0 0 0.0 0 0.0 0 0.0 12 58
216 A 221 GLY G T T 3 TS+ 0 0 90.2 -15.5 -179.5 89.0 104.6 77.3 0 0.0 0 0.0 0 0.0 0 0.0 12 41
217 A 222 GLN Q S t < TS+ 0 0 -96.2 7.6 -179.1 52.2 86.3 69.4 214 -2.7 0 0.0 0 0.0 0 0.0 8 36
218 A 223 GLY G S S S- 0 0 -122.9 -154.9 -176.9 -86.5 94.2 108.8 0 0.0 0 0.0 0 0.0 0 0.0 12 37
219 A 224 ALA A S S S+ 0 0 -104.5 1.3 179.8 119.5 73.5 66.7 199 -2.4 0 0.0 0 0.0 0 0.0 9 32
220 A 225 ILE I S S S- 0 0 -69.6 142.3 178.8 -122.0 70.6 115.8 0 0.0 222 -2.3 0 0.0 0 0.0 10 47
221 A 226 ASP D h > > T + 0 0 -81.2 69.5 -179.4 163.0 46.6 118.9 0 0.0 225 -2.0 0 0.0 224 -0.7 6 45
222 A 227 LEU L H H > 3 T + 0 0 -60.4 -29.2 178.3 64.4 68.6 36.3 220 -2.3 226 -2.9 0 0.0 0 0.0 9 53
223 A 228 ASP D H H > 3 TS+ 0 0 -59.1 -42.4 -179.7 44.1 106.1 25.1 0 0.0 227 -2.2 0 0.0 0 0.0 6 38
224 A 229 ALA A H H > < TS+ 0 0 -69.3 -44.7 180.0 49.5 113.4 23.9 221 -0.7 228 -2.6 0 0.0 0 0.0 8 41
225 A 230 HIS H H H X TS+ 0 0 -59.9 -50.2 -178.8 42.3 115.9 18.8 221 -2.0 229 -2.4 0 0.0 0 0.0 10 56
226 A 231 LEU L H H X TS+ 0 0 -64.9 -42.9 179.0 51.7 113.5 25.1 222 -2.9 230 -2.3 0 0.0 0 0.0 10 54
227 A 232 SER S H H X TS+ 0 0 -60.0 -42.9 -179.8 47.9 112.0 23.9 223 -2.2 231 -2.3 0 0.0 0 0.0 9 36
228 A 233 ALA A H H X TS+ 0 0 -64.8 -45.2 179.5 50.5 110.3 23.7 224 -2.6 232 -2.0 0 0.0 0 0.0 11 41
229 A 234 LEU L H H < >TS+ 0 0 -60.3 -39.6 179.6 48.4 112.0 27.2 225 -2.4 234 -2.3 0 0.0 0 0.0 13 49
230 A 235 LYS K H H < >5TS+ 0 0 -65.8 -44.9 -179.9 52.0 110.4 21.7 226 -2.3 233 -1.2 0 0.0 0 0.0 11 38
231 A 236 GLU E H H < 35TS+ 0 0 -61.5 -35.6 -179.4 46.9 110.7 35.3 227 -2.3 0 0.0 0 0.0 0 0.0 8 29
232 A 237 ILE I T h < 35TS- 0 0 -92.1 4.6 176.4 -103.2 120.2 67.6 228 -2.0 188 -0.9 0 0.0 0 0.0 11 31
233 A 238 GLY G T T <5T + 0 0 91.6 9.6 178.5 141.0 70.0 53.9 230 -1.2 0 0.0 0 0.0 0 0.0 9 29
234 A 239 PHE F t > T - 0 0 -88.6 122.6 179.9 -151.3 47.1 133.8 0 0.0 248 -0.7 0 0.0 247 -0.7 12 42
245 A 250 PRO P G G 4 > TS+ 0 0 -54.7 -38.2 179.6 64.5 95.0 29.7 0 0.0 248 -1.1 0 0.0 0 0.0 7 29
246 A 251 GLU E G G 4 > TS+ 0 0 -52.6 -44.7 -178.4 51.1 99.7 27.2 0 0.0 249 -1.4 0 0.0 0 0.0 6 31
247 A 252 TYR Y G G 4 X TS+ 0 0 -72.0 -16.4 179.0 69.8 94.6 46.9 244 -0.7 250 -1.2 0 0.0 0 0.0 9 41
248 A 253 TYR Y G G < < TS+ 0 0 -75.6 -7.9 178.9 68.8 87.7 52.7 245 -1.1 0 0.0 244 -0.7 0 0.0 14 35
249 A 254 LYS K G G < TS+ 0 0 -79.8 -18.8 179.1 82.0 88.1 49.9 246 -1.4 0 0.0 0 0.0 0 0.0 7 25
250 A 255 LEU L S g < TS- 0 0 -79.2 165.8 176.7 -96.5 95.4 110.2 247 -1.2 0 0.0 0 0.0 0 0.0 10 29
251 A 256 THR T h > T - 0 0 -76.8 164.0 179.5 -105.7 38.5 113.7 0 0.0 255 -2.2 0 0.0 0 0.0 9 29
252 A 257 ALA A H H > TS+ 0 0 -56.5 -45.8 -178.6 47.4 121.5 20.9 0 0.0 256 -2.5 0 0.0 0 0.0 13 42
253 A 258 GLU E H H > TS+ 0 0 -66.3 -39.0 179.2 51.9 108.8 29.3 0 0.0 257 -2.6 0 0.0 0 0.0 8 38
254 A 259 GLU E H H > TS+ 0 0 -63.1 -42.0 179.9 46.6 113.2 22.9 0 0.0 258 -2.3 0 0.0 0 0.0 8 34
255 A 260 ALA A H H X TS+ 0 0 -64.7 -46.1 -179.1 47.5 113.7 21.6 251 -2.2 259 -2.5 0 0.0 0 0.0 13 52
256 A 261 ILE I H H X TS+ 0 0 -64.7 -37.9 179.1 45.6 115.2 28.8 252 -2.5 260 -1.3 0 0.0 0 0.0 14 60
257 A 262 GLN Q H H X TS+ 0 0 -73.0 -36.8 179.4 47.7 114.2 31.5 253 -2.6 261 -2.4 0 0.0 0 0.0 9 45
258 A 263 THR T H H X TS+ 0 0 -71.1 -37.5 179.3 54.4 109.1 30.0 254 -2.3 262 -2.4 0 0.0 0 0.0 8 48
259 A 264 ALA A H H X TS+ 0 0 -63.2 -36.8 -180.0 45.6 112.1 29.0 255 -2.5 263 -1.4 0 0.0 0 0.0 11 64
260 A 265 LYS K H H X TS+ 0 0 -72.7 -49.1 -178.8 46.3 113.6 19.7 256 -1.3 264 -3.0 0 0.0 0 0.0 9 51
261 A 266 LYS K H H X TS+ 0 0 -61.3 -48.5 -179.1 45.2 115.0 19.7 257 -2.4 265 -2.7 0 0.0 0 0.0 8 40
262 A 267 THR T H H X TS+ 0 0 -62.5 -40.6 179.1 46.4 117.1 25.9 258 -2.4 266 -1.4 0 0.0 0 0.0 11 43
263 A 268 THR T H H X TS+ 0 0 -65.8 -55.7 180.0 43.8 115.1 13.9 259 -1.4 267 -2.9 0 0.0 0 0.0 13 57
264 A 269 VAL V H H X TS+ 0 0 -58.4 -43.7 -179.6 54.0 111.5 24.7 260 -3.0 268 -2.5 0 0.0 0 0.0 8 42
265 A 270 ASP D H H < TS+ 0 0 -60.9 -35.2 179.4 38.3 116.9 28.6 261 -2.7 0 0.0 0 0.0 0 0.0 8 30
266 A 271 VAL V H H < > TS+ 0 0 -77.8 -55.7 -177.9 41.1 121.2 15.4 262 -1.4 269 -1.1 0 0.0 0 0.0 9 43
267 A 272 VAL V H H X > TS+ 0 0 -63.7 -38.3 -178.2 65.9 102.7 33.4 263 -2.9 270 -2.3 0 0.0 271 -2.3 9 46
268 A 273 SER S T h < 3 TS+ 0 0 -63.6 -11.7 178.9 72.7 86.6 50.9 264 -2.5 0 0.0 0 0.0 0 0.0 8 32
269 A 274 LYS K T T 4 < TS+ 0 0 -77.4 -8.3 178.9 21.5 115.9 55.2 266 -1.1 0 0.0 0 0.0 0 0.0 7 27
270 A 275 TYR Y T T 4 < TS+ 0 0 -126.1 -29.1 -178.2 41.9 127.7 55.8 267 -2.3 0 0.0 0 0.0 0 0.0 8 33
271 A 276 PHE F t < T 0 0 -130.3 142.8 177.6 999.9 999.9 165.2 267 -2.3 0 0.0 0 0.0 0 0.0 7 31
272 A 277 SER S 0 0 -75.0 999.9 999.9 999.9 999.9 128.2 0 0.0 0 0.0 0 0.0 0 0.0 4 21
1i60A.pdb
1I60 STRUCTURAL GENOMICS, UNKNOWN FUNCTION MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEGGGGTTT HHHHHHHHHHTT SEEEEE HHHHHTTSS HHHHHHHHHTSS EEEEEEEEE SS HHHHHHHHHHHH HHHHHT EEEEE Kabs/Sand
chirality ----+++++++--++++++++++-+-+---- ++++++++--++++++++++-+----------++++--+++++++++++ ++++-+-+----- chirality
bends SSSSSSS SSSSSSSSSSS S SSSSSSSS SSSSSSSSSSSS SS SSSSSSSSSSS SSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTT TTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>><<< >33< >>3<< >33< 3-turns
bridge-2 bbb ccccc dd**dd eeee bridge-2
bridge-1 aaa bbb cc*ccc dd*dd bridge-1
sheets AAAA AAAAA AAAAAAAAA AAAAA sheets
4-turns >444<>>>>XXXX<<<< >>>4<<< >>>>XXX<<<< >>>>XXXXXX<<<<>>>4<<< 4-turns
summary eEEEEeGGGgTTthHHHHHHHHHHhTteEEEEEehHHHHHhTtShHHHHHHHHHhtS EEEEEEEEEe SS hHHHHHHHHHHHHhhHHHHHhteEEEEE summary
sequence KLCFNEATTLENSNLKLDLELCEKHGYDYIEIRTDKLPEYLKDHSLDDLAEYFQTHHIKPLALNALVFFNNRDEKGHNEIITEFKGETCKTLGVKYVVAV sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand B SS HHHHHHHHHHHHHHHHHHHGGG EEEEE TTBSS SHHHHHHHHHHH TTEEEEEEHHHHH HHHHHTS GGGEEEEEE EE Kabs/Sand
chirality --+-+-+--+++++++++++++++++++++-+--------+-++-+++-++++++++++-+-+++-----++++ --++++++--+++++---+---- chirality
bends SS SSSSSSSSSSSSSSSSSSSSSS SS SS SSSSSSSSSSSS SS SSSS SSSSSSS SSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTT TTTTTTT TTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >>3<< >33< >33< >33<>33<>>3<< 3-turns
bridge-2 ffff gggg hhh bridge-2
bridge-1 A eeee A ffff g*ggg II bridge-1
sheets AAAAA AAAAAA AAAAAA BB sheets
4-turns >>>>XXXXXXXXXXXXX<>>>XXXXX<<<< >>>4<<< >>>4<<< 4-turns
summary B SS hHHHHHHHHHHHHHHHHHHHhGGg EEEEEe tTTBSS hHHHHHHHHHHHhtTeEEEEEEHHHHHh hHHHHHhtgGGeEEEEEE EEe summary
sequence PLVTEQKIVKEEIKKSSVDVLTELSDIAEPYGVKIALEFVGHPQCTVNTFEQAYEIVNTVNRDNVGLVLDSFHFHAGSNIESLKQADGKKIFIYHIDDTE sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand TTT GGGEESTTSSSS HHHHHHHHHHTT S EEE GGGGGS HHHHHHHHHHHHHHHHTTT Kabs/Sand
chirality +--++++-+++---+++-+-+++++++++++-+++----++-+-+++++--+++++++++++++++++++ chirality
bends SSS SSS SSSSSSS SSSSSSSSSS S SSSSSS SSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTT TTTT TTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >>3<< >33< >33< >33< >>>X<<< >>3<< 3-turns
bridge-2 hhh bridge-2
bridge-1 II aaa bridge-1
sheets BB AAA sheets
4-turns >444< >>>>XXXX<<<< >444< >>>>XXXXXXXXXX<