Secondary structure calculation program - copyright by David Keith Smith, 1989
1f60B.pdb
1F60 TRANSLATION MOL_ID: 1; MOL_ID: 1;
Sequence length - 90
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 B1117 PRO P 0 0 999.9 162.1 -179.2 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 13
2 B1118 ALA A - 0 0 -76.4 146.1 177.7 -99.4 999.9 110.9 0 0.0 0 0.0 0 0.0 0 0.0 5 18
3 B1119 ALA A e - 0 0 -64.2 133.4 179.1 -172.9 49.0 114.4 0 0.0 60 -2.1 0 0.0 0 0.0 8 22
4 B1120 LYS K E E AA - 59 0 -129.9 162.2 173.8 -160.9 19.2 155.4 0 0.0 90 -2.2 0 0.0 0 0.0 10 28
5 B1121 SER S E E AAB - 58 89 -134.8 147.7 176.3 -138.4 16.3 169.2 58 -2.1 58 -2.7 0 0.0 0 0.0 12 33
6 B1122 ILE I E E AAB - 57 88 -107.4 126.9 -176.2 -171.6 28.5 153.3 88 -2.8 88 -2.6 0 0.0 0 0.0 12 36
7 B1123 VAL V E E AAB - 56 87 -122.9 139.2 174.5 -153.8 19.3 170.3 56 -2.9 56 -2.3 0 0.0 9 -0.6 13 41
8 B1124 THR T E E AAB - 55 86 -111.0 117.4 176.6 -161.8 19.7 164.7 86 -3.2 85 -2.7 0 0.0 86 -1.3 12 42
9 B1125 LEU L E E AAB - 54 84 -99.1 141.0 171.6 -148.5 11.4 147.0 54 -2.8 54 -2.7 7 -0.6 0 0.0 14 52
10 B1126 ASP D E E AAB - 53 83 -100.0 125.1 -179.1 -168.3 14.7 154.9 83 -2.9 83 -2.1 0 0.0 12 -0.5 12 48
11 B1127 VAL V E E AAB - 52 82 -121.1 116.8 -172.4 -154.1 10.0 169.5 52 -2.9 52 -2.7 0 0.0 0 0.0 13 58
12 B1128 LYS K E E A B - 0 81 -100.8 137.2 179.8 -142.4 2.8 141.6 81 -2.8 80 -3.2 10 -0.5 81 -1.0 11 51
13 B1129 PRO P E E A B - 0 79 -83.8 -179.3 176.9 -110.7 24.3 102.5 0 0.0 0 0.0 0 0.0 0 0.0 15 45
14 B1130 TRP W S e S- 0 0 -81.9 -38.2 177.5 -25.1 86.8 30.8 78 -0.6 0 0.0 0 0.0 0 0.0 9 34
15 B1131 ASP D S t > TS- 0 0 -154.4 -167.9 179.2 -73.9 77.7 153.6 0 0.0 18 -1.1 0 0.0 0 0.0 6 29
16 B1132 ASP D T T 3 TS+ 0 0 -76.0 -5.3 179.3 55.3 124.1 56.5 0 0.0 0 0.0 0 0.0 0 0.0 9 27
17 B1133 GLU E T T 3 TS+ 0 0 -105.7 -4.4 178.6 125.1 74.0 62.1 0 0.0 0 0.0 0 0.0 0 0.0 5 25
18 B1134 THR T S t < TS- 0 0 -57.3 140.7 177.7 -111.0 73.2 108.1 15 -1.1 20 -1.0 0 0.0 0 0.0 8 31
19 B1135 ASN N h > T - 0 0 -74.7 101.7 -175.2 -173.8 36.6 128.3 0 0.0 23 -1.8 0 0.0 0 0.0 7 29
20 B1136 LEU L H H > TS+ 0 0 -71.5 -35.6 178.1 57.2 77.9 34.2 18 -1.0 24 -2.8 0 0.0 0 0.0 10 40
21 B1137 GLU E H H > TS+ 0 0 -63.8 -37.2 175.4 46.5 109.4 24.1 0 0.0 25 -2.3 0 0.0 0 0.0 6 33
22 B1138 GLU E H H > TS+ 0 0 -66.8 -41.1 -178.8 55.0 110.1 22.0 0 0.0 26 -2.5 0 0.0 0 0.0 8 35
23 B1139 MET M H H X TS+ 0 0 -58.2 -50.0 -179.8 40.6 112.8 20.5 19 -1.8 27 -1.8 0 0.0 0 0.0 12 44
24 B1140 VAL V H H X TS+ 0 0 -71.9 -31.7 177.0 56.8 111.7 26.4 20 -2.8 28 -2.8 0 0.0 0 0.0 9 48
25 B1141 ALA A H H X TS+ 0 0 -59.3 -42.2 -179.5 49.4 107.6 23.7 21 -2.3 29 -1.3 0 0.0 0 0.0 8 36
26 B1142 ASN N H H < TS+ 0 0 -65.1 -40.7 176.8 48.4 111.0 26.9 22 -2.5 0 0.0 0 0.0 0 0.0 10 37
27 B1143 VAL V H H < > TS+ 0 0 -62.9 -47.0 -176.9 50.2 111.3 20.3 23 -1.8 30 -1.7 0 0.0 0 0.0 8 53
28 B1144 LYS K H H < 3 TS+ 0 0 -69.5 -17.1 175.9 64.7 100.6 44.9 24 -2.8 0 0.0 0 0.0 0 0.0 8 41
29 B1145 ALA A T h < 3 TS+ 0 0 -78.6 -10.8 177.7 105.5 77.0 55.9 25 -1.3 0 0.0 0 0.0 0 0.0 6 27
30 B1146 ILE I t < T - 0 0 -72.5 123.1 -179.3 -166.6 56.0 126.0 27 -1.7 0 0.0 0 0.0 0 0.0 8 36
31 B1147 GLU E + 0 0 -117.8 124.5 -178.2 161.8 16.1 163.0 0 0.0 0 0.0 0 0.0 0 0.0 6 28
32 B1148 MET M t > T - 0 0 -140.9 135.8 178.4 -104.5 46.4 174.4 0 0.0 35 -2.3 0 0.0 0 0.0 6 29
33 B1149 GLU E T T 3 TS+ 0 0 -58.5 128.8 178.2 22.0 112.2 119.8 0 0.0 0 0.0 0 0.0 0 0.0 6 24
34 B1150 GLY G T e 3 TS+ 0 0 92.7 -1.4 178.7 115.8 98.7 64.1 0 0.0 59 -1.9 0 0.0 0 0.0 8 30
35 B1151 LEU L E E AC < T - 58 0 -108.4 129.1 175.3 -178.3 39.1 156.8 32 -2.3 0 0.0 0 0.0 0 0.0 11 39
36 B1152 THR T E E AC - 57 0 -122.3 116.9 176.7 -142.0 18.7 169.5 57 -2.5 57 -2.8 0 0.0 0 0.0 7 35
37 B1153 TRP W E E AC - 56 0 -76.1 149.2 177.9 -179.6 25.4 128.6 0 0.0 0 0.0 0 0.0 0 0.0 9 39
38 B1154 GLY G E E A* - 0 0 -123.1 -147.8 -175.0 -27.7 35.4 96.6 55 -3.1 0 0.0 0 0.0 0 0.0 8 33
39 B1155 ALA A E E A* - 0 0 -70.1 159.7 177.4 -170.9 54.0 106.2 0 0.0 55 -3.0 0 0.0 0 0.0 7 27
40 B1156 HIS H E E AC - 54 0 -150.6 157.1 175.6 -176.1 10.9 166.1 0 0.0 0 0.0 0 0.0 0 0.0 8 36
41 B1157 GLN Q E E AC - 53 0 -144.2 159.6 173.7 -122.3 28.6 166.7 53 -2.0 53 -2.8 0 0.0 43 -0.5 7 31
42 B1158 PHE F E E AC - 52 0 -105.4 122.7 -170.3 -165.8 35.0 156.5 0 0.0 0 0.0 0 0.0 0 0.0 9 38
43 B1159 ILE I E E AC - 51 0 -119.0 123.4 177.3 -121.9 19.0 165.6 51 -2.7 51 -2.6 41 -0.5 0 0.0 8 31
44 B1160 PRO P E E AC - 50 0 -61.1 140.3 178.6 -179.3 23.8 110.4 0 0.0 0 0.0 0 0.0 0 0.0 8 24
45 B1161 ILE I E E A* - 0 0 -118.4 -2.5 179.5 -78.0 57.2 71.7 49 -2.4 0 0.0 0 0.0 0 0.0 8 23
46 B1162 GLY G E E AC > TS+ 49 0 117.8 153.1 178.5 49.4 105.4 104.0 49 -0.7 49 -2.1 0 0.0 0 0.0 6 16
47 B1163 PHE F T T 3 TS- 0 0 58.2 25.3 178.4 -61.0 127.2 41.3 0 0.0 0 0.0 0 0.0 0 0.0 5 15
48 B1164 GLY G T T 3 TS+ 0 0 85.8 -2.3 179.2 128.6 103.9 62.0 0 0.0 0 0.0 0 0.0 0 0.0 7 19
49 B1165 ILE I E E A C< T - 0 46 -85.2 138.7 173.5 -166.3 38.6 133.9 46 -2.1 45 -2.4 0 0.0 46 -0.7 10 29
50 B1166 LYS K E E A C - 0 44 -124.0 142.1 175.2 -151.2 5.8 170.3 0 0.0 0 0.0 0 0.0 0 0.0 12 35
51 B1167 LYS K E E A C - 0 43 -101.3 159.1 170.6 -116.8 21.3 137.2 43 -2.6 43 -2.7 0 0.0 0 0.0 12 44
52 B1168 LEU L E E AAC - 11 42 -89.8 128.9 175.0 -166.4 25.2 146.3 11 -2.7 11 -2.9 0 0.0 54 -0.5 14 53
53 B1169 GLN Q E E AAC + 10 41 -115.2 113.9 -172.6 173.0 17.8 172.8 41 -2.8 41 -2.0 0 0.0 0 0.0 13 44
54 B1170 ILE I E E AAC - 9 40 -131.9 136.7 176.7 -140.3 23.5 170.1 9 -2.7 9 -2.8 52 -0.5 0 0.0 13 50
55 B1171 ASN N E E AA* + 8 0 -86.2 152.0 167.2 173.5 21.5 131.1 39 -3.0 38 -3.1 0 0.0 0 0.0 12 45
56 B1172 CYS C E E AAC - 7 37 -146.2 158.1 173.8 -142.0 22.6 168.3 7 -2.3 7 -2.9 0 0.0 0 0.0 13 50
57 B1173 VAL V E E AAC - 6 36 -118.2 131.8 -176.3 -167.7 25.2 172.4 36 -2.8 36 -2.5 0 0.0 0 0.0 12 43
58 B1174 VAL V E E AAC - 5 35 -124.0 142.7 168.0 -127.6 28.1 161.2 5 -2.7 5 -2.1 0 0.0 60 -0.7 13 41
59 B1175 GLU E E E >AA > T - 4 0 -79.3 119.1 -175.6 -140.3 30.1 140.3 34 -1.9 63 -2.3 0 0.0 62 -1.4 12 32
60 B1176 ASP D T e 4 3 TS+ 0 0 -51.4 -40.4 -173.5 46.5 96.4 35.1 3 -2.1 0 0.0 58 -0.7 0 0.0 10 28
61 B1177 ASP D T T 4 3 TS+ 0 0 -82.5 -15.1 -177.7 39.3 119.3 51.5 0 0.0 0 0.0 0 0.0 0 0.0 6 24
62 B1178 LYS K T T 4 < TS+ 0 0 -103.8 -31.4 -173.9 58.9 106.4 47.9 59 -1.4 64 -0.6 0 0.0 0 0.0 8 24
63 B1179 VAL V t < T - 0 0 -114.0 115.5 173.5 -155.9 61.3 156.2 59 -2.3 0 0.0 0 0.0 0 0.0 13 31
64 B1180 SER S h > T - 0 0 -78.2 127.2 177.6 -157.9 4.5 134.4 62 -0.6 68 -1.9 0 0.0 0 0.0 8 31
65 B1181 LEU L H H > TS+ 0 0 -77.0 -27.5 176.8 56.8 94.7 32.1 0 0.0 69 -2.8 0 0.0 0 0.0 6 45
66 B1182 ASP D H H > TS+ 0 0 -63.3 -43.8 179.5 44.5 110.2 16.9 0 0.0 70 -2.3 0 0.0 0 0.0 6 31
67 B1183 ASP D H H > TS+ 0 0 -66.8 -38.3 -178.2 52.1 112.3 28.1 0 0.0 71 -2.4 0 0.0 0 0.0 8 31
68 B1184 LEU L H H X TS+ 0 0 -67.0 -40.6 178.0 48.1 110.2 22.0 64 -1.9 72 -2.4 0 0.0 0 0.0 9 46
69 B1185 GLN Q H H X TS+ 0 0 -62.3 -45.0 -178.9 49.6 112.1 23.4 65 -2.8 73 -2.6 0 0.0 0 0.0 10 48
70 B1186 GLN Q H H X TS+ 0 0 -59.3 -42.1 -178.4 50.6 110.6 25.5 66 -2.3 74 -0.6 0 0.0 0 0.0 8 29
71 B1187 SER S H H < > TS+ 0 0 -62.1 -46.4 179.9 48.7 110.1 28.3 67 -2.4 74 -0.9 0 0.0 0 0.0 9 35
72 B1188 ILE I H H < > TS+ 0 0 -61.9 -40.1 -179.8 57.7 106.6 21.4 68 -2.4 75 -1.9 0 0.0 0 0.0 12 48
73 B1189 GLU E H H < 3 TS+ 0 0 -68.3 -9.3 175.4 80.5 84.8 51.4 69 -2.6 0 0.0 0 0.0 0 0.0 11 36
74 B1190 GLU E T h < < TS+ 0 0 -67.9 -18.3 177.1 83.3 72.0 46.2 71 -0.9 76 -2.0 70 -0.6 0 0.0 7 29
75 B1191 ASP D t > X T + 0 0 -80.2 69.5 -174.3 162.9 57.2 116.8 72 -1.9 79 -3.2 0 0.0 78 -1.7 10 33
76 B1192 GLU E T T 4 3 T + 0 0 -67.2 -22.8 176.9 68.6 62.8 44.2 74 -2.0 0 0.0 0 0.0 0 0.0 7 27
77 B1193 ASP D T T 4 3 TS+ 0 0 -65.0 -28.7 -178.7 13.3 121.7 40.4 0 0.0 0 0.0 0 0.0 0 0.0 4 28
78 B1194 HIS H T e 4 < TS+ 0 0 -115.1 -34.9 -170.0 71.4 115.0 47.2 75 -1.7 14 -0.6 0 0.0 0 0.0 12 37
79 B1195 VAL V E E 33< >33< >33< >33< >33< >>3>>>XXX<<<< >444<>>>>XXX<<<<>444< 4-turns
summary eEEEEEEEEEEetTTthHHHHHHHHHht tTeEEEEEEEEEEEETTEEEEEEEEEEEeTTthHHHHHHHHHhtTTeEEEEEEEEEEEe summary
sequence PAAKSIVTLDVKPWDDETNLEEMVANVKAIEMEGLTWGAHQFIPIGFGIKKLQINCVVEDDKVSLDDLQQSIEEDEDHVQSTDIAAMQKL sequence
10 20 30 40 50 60 70 80 90