Secondary structure calculation program - copyright by David Keith Smith, 1989
1rypC.pdb
1RYP MULTICATALYTIC PROTEINASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 244
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 C 2 GLY G 0 0 999.9 -178.0 -179.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 5
2 C 3 SER S g > T + 0 0 -102.5 -17.4 178.7 86.2 999.9 53.9 0 0.0 5 -1.6 0 0.0 0 0.0 5 8
3 C 4 ARG R G G > TS+ 0 0 -49.0 -36.5 -179.2 74.8 78.8 33.7 0 0.0 6 -1.6 0 0.0 0 0.0 5 9
4 C 5 ARG R G G 3 TS+ 0 0 -46.0 -41.5 -176.2 41.1 97.8 34.3 0 0.0 0 0.0 0 0.0 0 0.0 5 9
5 C 6 TYR Y G G < TS+ 0 0 -95.8 2.1 -178.5 114.4 85.1 66.4 2 -1.6 7 -0.5 0 0.0 0 0.0 5 11
6 C 7 ASP D g < T - 0 0 -80.9 119.4 179.4 -165.5 46.6 129.6 3 -1.6 0 0.0 0 0.0 0 0.0 6 16
7 C 8 SER S - 0 0 -76.7 -13.5 -179.9 -131.4 34.0 55.0 5 -0.5 0 0.0 0 0.0 0 0.0 4 23
8 C 9 ARG R t > T - 0 0 58.5 68.9 -178.8 -173.2 28.0 10.1 0 0.0 11 -0.8 0 0.0 0 0.0 6 26
9 C 10 THR T T T 3 TS+ 0 0 -68.6 -14.8 -179.0 57.0 73.1 52.8 0 0.0 0 0.0 0 0.0 0 0.0 11 35
10 C 11 THR T T T 3 TS+ 0 0 -113.1 40.7 177.9 112.3 79.6 98.8 0 0.0 0 0.0 0 0.0 0 0.0 14 33
11 C 12 ILE I t < T - 0 0 -110.8 160.5 179.8 -118.9 62.2 137.5 8 -0.8 19 -0.8 0 0.0 0 0.0 8 29
12 C 13 PHE F B B A - 18 0 -92.2 145.8 176.7 -127.3 24.9 136.1 0 0.0 0 0.0 0 0.0 0 0.0 9 25
13 C 14 SER S t > T - 0 0 -82.7 167.5 -180.0 -93.4 40.2 117.2 17 -2.3 16 -2.8 0 0.0 0 0.0 8 18
14 C 15 PRO P T T 3 TS+ 0 0 -57.9 -16.5 179.5 54.3 129.5 41.0 0 0.0 0 0.0 0 0.0 0 0.0 5 11
15 C 16 GLU E T T 3 TS- 0 0 -98.1 8.2 179.4 -104.0 121.8 72.9 0 0.0 0 0.0 0 0.0 0 0.0 5 11
16 C 17 GLY G S t < TS+ 0 0 76.9 28.3 178.8 130.2 77.9 36.2 13 -2.8 0 0.0 0 0.0 0 0.0 6 16
17 C 18 ARG R - 0 0 -111.4 156.0 179.7 -115.8 63.4 143.4 0 0.0 13 -2.3 0 0.0 19 -0.9 8 26
18 C 19 LEU L B h > A T - 12 0 -94.5 109.9 -178.5 -155.1 22.9 146.3 0 0.0 22 -2.8 0 0.0 0 0.0 11 37
19 C 20 TYR Y H H > TS+ 0 0 -44.8 -67.9 -178.7 43.8 90.9 19.1 17 -0.9 23 -2.6 11 -0.8 0 0.0 11 35
20 C 21 GLN Q H H > TS+ 0 0 -51.9 -38.1 179.6 51.3 114.0 33.4 0 0.0 24 -2.1 0 0.0 0 0.0 10 41
21 C 22 VAL V H H > TS+ 0 0 -65.9 -46.0 -179.9 48.3 110.7 18.1 0 0.0 25 -2.4 0 0.0 0 0.0 11 47
22 C 23 GLU E H H X TS+ 0 0 -60.2 -41.3 179.4 46.8 114.1 24.8 18 -2.8 26 -1.3 0 0.0 0 0.0 9 39
23 C 24 TYR Y H H X TS+ 0 0 -71.3 -31.3 178.9 53.0 110.1 32.7 19 -2.6 27 -1.7 0 0.0 0 0.0 8 35
24 C 25 ALA A H H X TS+ 0 0 -70.2 -37.2 179.7 53.7 105.8 26.8 20 -2.1 28 -2.2 0 0.0 0 0.0 13 44
25 C 26 LEU L H H X TS+ 0 0 -64.1 -31.7 177.9 54.1 106.3 33.1 21 -2.4 29 -1.8 0 0.0 0 0.0 12 47
26 C 27 GLU E H H < TS+ 0 0 -67.3 -44.8 177.8 49.8 106.7 25.4 22 -1.3 0 0.0 0 0.0 0 0.0 8 33
27 C 28 SER S H H < > TS+ 0 0 -57.6 -47.0 -178.1 53.9 109.4 19.6 23 -1.7 30 -1.9 0 0.0 0 0.0 10 38
28 C 29 ILE I H H < > TS+ 0 0 -57.9 -38.5 -179.9 67.4 94.2 30.0 24 -2.2 31 -2.5 0 0.0 0 0.0 15 48
29 C 30 SER S T h < 3 TS+ 0 0 -61.6 -8.3 179.9 57.7 96.4 53.8 25 -1.8 0 0.0 0 0.0 0 0.0 12 44
30 C 31 HIS H T T < TS+ 0 0 -99.1 -3.1 -178.0 98.0 87.3 63.8 27 -1.9 0 0.0 0 0.0 0 0.0 9 38
31 C 32 ALA A S t < TS- 0 0 -84.7 156.1 178.9 -82.4 91.0 119.0 28 -2.5 166 -2.4 0 0.0 0 0.0 11 52
32 C 33 GLY G - 0 0 -54.9 143.1 -178.5 -98.9 58.3 104.6 0 0.0 0 0.0 0 0.0 0 0.0 11 63
33 C 34 THR T e - 0 0 -69.4 141.1 177.2 -161.0 33.9 112.7 0 0.0 48 -2.5 0 0.0 0 0.0 14 68
34 C 35 ALA A E E AAB - 164 47 -121.3 134.0 -179.0 -166.5 9.0 170.1 164 -2.3 164 -2.1 0 0.0 0 0.0 16 78
35 C 36 ILE I E E AAB - 163 46 -125.9 142.0 177.4 -171.0 8.8 162.8 46 -3.7 46 -2.9 0 0.0 0 0.0 16 76
36 C 37 GLY G E E AAB - 162 45 -130.7 132.2 179.2 -174.1 4.0 178.9 162 -2.9 162 -2.6 0 0.0 0 0.0 15 79
37 C 38 ILE I E E AAB - 161 44 -131.8 124.8 -178.2 -147.1 13.1 166.7 44 -2.3 44 -1.9 0 0.0 0 0.0 13 68
38 C 39 MET M E E A B - 0 43 -95.9 124.1 179.4 -178.4 18.9 137.8 160 -3.6 0 0.0 0 0.0 0 0.0 15 62
39 C 40 ALA A E E A B> T - 0 42 -108.4 179.6 178.9 -104.5 42.8 120.0 42 -2.9 42 -0.6 0 0.0 0 0.0 15 49
40 C 41 SER S T T 3 TS+ 0 0 -74.3 -26.7 -177.0 30.0 121.7 33.8 183 -1.9 0 0.0 0 0.0 0 0.0 10 38
41 C 42 ASP D T e 3 TS- 0 0 -124.2 30.1 179.9 -19.2 129.5 91.6 0 0.0 217 -0.8 0 0.0 0 0.0 9 45
42 C 43 GLY G E E ABC< T - 39 216 153.9 175.4 -179.6 -102.9 59.9 151.7 39 -0.6 39 -2.9 0 0.0 0 0.0 13 55
43 C 44 ILE I E E ABC - 38 215 -131.7 151.0 179.1 -148.5 21.0 159.6 215 -2.2 215 -2.2 0 0.0 0 0.0 18 69
44 C 45 VAL V E E ABC - 37 214 -122.5 138.6 177.1 -172.3 8.5 166.1 37 -1.9 37 -2.3 0 0.0 0 0.0 18 74
45 C 46 LEU L E E ABC + 36 213 -128.7 123.1 -179.6 173.7 11.9 176.5 213 -3.3 213 -3.1 0 0.0 0 0.0 15 78
46 C 47 ALA A E E ABC - 35 212 -131.7 141.9 -179.4 -178.9 3.9 170.9 35 -2.9 35 -3.7 0 0.0 0 0.0 14 82
47 C 48 ALA A E E ABC - 34 211 -148.2 146.5 -179.4 -133.1 23.3 178.8 211 -2.8 211 -2.0 0 0.0 0 0.0 14 79
48 C 49 GLU E E E A C - 0 210 -98.8 127.7 -179.5 -124.7 29.9 147.5 33 -2.5 0 0.0 0 0.0 0 0.0 11 67
49 C 50 ARG R e - 0 0 -77.1 139.9 -179.7 -148.0 18.0 119.1 209 -2.6 0 0.0 0 0.0 0 0.0 11 59
50 C 51 LYS K S S S+ 0 0 -103.2 151.8 179.1 14.8 71.1 135.0 0 0.0 0 0.0 0 0.0 0 0.0 7 49
51 C 52 VAL V S S S+ 0 0 46.0 82.8 -179.5 155.3 83.7 18.3 0 0.0 0 0.0 0 0.0 0 0.0 4 31
52 C 53 THR T + 0 0 -118.2 -162.4 -179.7 178.9 19.1 112.6 0 0.0 0 0.0 0 0.0 0 0.0 7 31
53 C 54 SER S - 0 0 173.6 174.4 -179.6 -90.6 47.2 161.1 0 0.0 0 0.0 0 0.0 0 0.0 5 20
54 C 55 THR T S S S+ 0 0 -74.9 -27.6 -177.6 51.4 121.9 39.9 0 0.0 0 0.0 0 0.0 0 0.0 4 17
55 C 56 LEU L S S S+ 0 0 -88.3 -11.7 -179.8 109.5 80.5 61.4 0 0.0 0 0.0 0 0.0 0 0.0 4 12
56 C 57 LEU L S S S- 0 0 -70.6 138.4 179.7 -120.5 74.5 120.7 0 0.0 58 -1.0 0 0.0 0 0.0 6 20
57 C 58 GLU E + 0 0 -80.9 103.9 -179.7 175.2 34.7 133.4 0 0.0 0 0.0 0 0.0 0 0.0 6 22
58 C 59 GLN Q S t > TS+ 0 0 -79.7 -31.9 179.3 62.2 73.6 32.7 56 -1.0 61 -1.5 0 0.0 0 0.0 7 33
59 C 60 ASP D T T 3 TS+ 0 0 -54.3 -61.3 -178.9 38.0 109.6 13.3 0 0.0 0 0.0 0 0.0 0 0.0 6 28
60 C 61 THR T T T 3 TS+ 0 0 -82.0 29.8 -177.8 111.9 102.8 87.8 0 0.0 0 0.0 0 0.0 0 0.0 5 22
61 C 62 SER S t < T + 0 0 -114.7 158.5 179.3 158.8 30.1 135.2 58 -1.5 0 0.0 0 0.0 0 0.0 6 37
62 C 63 THR T + 0 0 -169.8 106.2 178.9 139.6 18.7 132.8 0 0.0 0 0.0 0 0.0 0 0.0 7 47
63 C 64 GLU E S S S+ 0 0 -130.6 -8.8 -179.9 26.8 82.4 68.2 0 0.0 0 0.0 0 0.0 0 0.0 8 55
64 C 65 LYS K S e S+ 0 0 -125.6 -34.9 -179.9 56.6 110.1 44.1 0 0.0 76 -2.1 0 0.0 66 -0.5 13 64
65 C 66 LEU L E E BD + 75 0 -109.8 120.8 -179.2 173.8 60.1 155.5 0 0.0 0 0.0 0 0.0 0 0.0 15 70
66 C 67 TYR Y E E BD - 74 0 -128.8 141.0 179.6 -128.8 29.7 164.2 74 -2.1 74 -2.4 64 -0.5 0 0.0 10 60
67 C 68 LYS K E E BD + 73 0 -85.4 126.1 178.7 173.8 24.6 135.0 0 0.0 0 0.0 0 0.0 0 0.0 8 53
68 C 69 LEU L S e S- 0 0 -102.2 -23.0 -176.9 -13.0 73.8 49.6 72 -2.5 0 0.0 0 0.0 0 0.0 12 58
69 C 70 ASN N S S S- 0 0 -161.6 176.9 177.5 -91.7 79.3 154.1 72 -2.2 0 0.0 0 0.0 0 0.0 8 49
70 C 71 ASP D S S S+ 0 0 -77.5 -10.3 -178.8 33.0 131.8 53.3 0 0.0 0 0.0 0 0.0 0 0.0 9 44
71 C 72 LYS K S e S+ 0 0 -122.8 -0.5 -179.4 60.5 116.0 66.6 0 0.0 139 -1.7 0 0.0 0 0.0 12 58
72 C 73 ILE I E E B E + 0 138 -133.9 138.0 178.6 166.6 53.1 173.9 0 0.0 68 -2.5 0 0.0 69 -2.2 13 65
73 C 74 ALA A E E BDE - 67 137 -143.4 155.9 177.6 -147.4 17.3 162.0 137 -2.5 137 -2.9 0 0.0 0 0.0 13 72
74 C 75 VAL V E E BDE - 66 136 -126.5 155.2 176.3 -147.1 6.8 156.8 66 -2.4 66 -2.1 0 0.0 0 0.0 13 79
75 C 76 ALA A E E BDE - 65 135 -114.5 137.0 -177.0 -142.6 27.4 163.3 135 -2.2 135 -1.9 0 0.0 0 0.0 15 77
76 C 77 VAL V E E B E - 0 134 -111.8 137.0 175.9 -178.5 21.1 152.8 64 -2.1 0 0.0 0 0.0 0 0.0 14 71
77 C 78 ALA A E E B E + 0 133 -130.5 111.6 179.0 22.8 59.7 165.5 133 -2.4 133 -1.9 0 0.0 0 0.0 16 60
78 C 79 GLY G E E B E S+ 0 132 140.6 -149.0 179.6 7.3 108.3 167.5 0 0.0 80 -0.7 0 0.0 0 0.0 14 57
79 C 80 LEU L h > T - 0 0 -73.5 114.0 179.7 -152.3 57.5 126.5 131 -2.5 83 -2.0 0 0.0 0 0.0 10 47
80 C 81 THR T H H > TS+ 0 0 -52.8 -46.3 -179.2 52.2 93.0 26.8 78 -0.7 84 -2.1 0 0.0 0 0.0 11 46
81 C 82 ALA A H H > TS+ 0 0 -62.3 -38.6 177.9 49.6 108.2 31.2 0 0.0 85 -1.5 0 0.0 0 0.0 6 30
82 C 83 ASP D H H > TS+ 0 0 -65.4 -38.0 -179.5 53.7 110.2 28.0 0 0.0 86 -1.7 0 0.0 0 0.0 10 41
83 C 84 ALA A H H X TS+ 0 0 -63.2 -43.4 -179.6 53.6 103.7 26.0 79 -2.0 87 -3.0 0 0.0 0 0.0 13 52
84 C 85 GLU E H H X TS+ 0 0 -62.2 -35.1 177.9 56.3 104.6 26.9 80 -2.1 88 -2.4 0 0.0 0 0.0 8 35
85 C 86 ILE I H H X TS+ 0 0 -58.2 -51.0 -178.7 37.6 115.1 16.8 81 -1.5 89 -1.3 0 0.0 0 0.0 8 37
86 C 87 LEU L H H X TS+ 0 0 -68.5 -42.1 179.6 59.2 111.0 29.3 82 -1.7 90 -2.0 0 0.0 0 0.0 9 53
87 C 88 ILE I H H X TS+ 0 0 -55.6 -45.0 179.9 50.9 105.1 20.1 83 -3.0 91 -2.4 0 0.0 0 0.0 10 53
88 C 89 ASN N H H X TS+ 0 0 -64.9 -35.9 177.8 50.2 108.0 26.9 84 -2.4 92 -1.9 0 0.0 0 0.0 8 37
89 C 90 THR T H H X TS+ 0 0 -69.0 -30.4 179.1 51.1 111.3 32.5 85 -1.3 93 -2.1 0 0.0 0 0.0 9 36
90 C 91 ALA A H H X TS+ 0 0 -70.0 -42.2 177.9 53.1 106.5 26.8 86 -2.0 94 -2.4 0 0.0 0 0.0 12 48
91 C 92 ARG R H H X TS+ 0 0 -58.0 -42.0 178.9 46.7 111.7 25.6 87 -2.4 95 -1.5 0 0.0 0 0.0 10 40
92 C 93 ILE I H H X TS+ 0 0 -67.8 -45.1 178.5 52.2 109.8 23.9 88 -1.9 96 -2.3 0 0.0 0 0.0 8 32
93 C 94 HIS H H H X TS+ 0 0 -58.7 -42.1 179.0 54.4 106.8 25.4 89 -2.1 97 -2.2 0 0.0 0 0.0 9 39
94 C 95 ALA A H H X TS+ 0 0 -59.1 -41.5 180.0 43.7 112.1 22.8 90 -2.4 98 -2.0 0 0.0 0 0.0 13 41
95 C 96 GLN Q H H X TS+ 0 0 -74.5 -29.0 177.8 56.5 109.2 36.7 91 -1.5 99 -2.3 0 0.0 0 0.0 8 30
96 C 97 ASN N H H X TS+ 0 0 -64.9 -43.2 179.9 46.5 109.8 24.8 92 -2.3 100 -2.5 0 0.0 0 0.0 8 25
97 C 98 TYR Y H H X TS+ 0 0 -65.3 -46.4 178.6 52.0 110.5 22.7 93 -2.2 101 -3.1 0 0.0 0 0.0 12 30
98 C 99 LEU L H H X TS+ 0 0 -56.9 -45.1 -179.8 47.1 111.8 19.9 94 -2.0 102 -2.8 0 0.0 0 0.0 11 25
99 C 100 LYS K H H < TS+ 0 0 -62.3 -46.3 -179.7 44.8 116.1 20.5 95 -2.3 0 0.0 0 0.0 0 0.0 7 16
100 C 101 THR T H H < TS+ 0 0 -64.7 -46.2 -174.9 16.7 131.9 21.7 96 -2.5 0 0.0 0 0.0 0 0.0 6 15
101 C 102 TYR Y H H < TS- 0 0 -110.1 -7.3 -178.8 -130.1 87.7 55.6 97 -3.1 0 0.0 0 0.0 0 0.0 6 14
102 C 103 ASN N S h < TS+ 0 0 59.1 32.3 176.4 100.3 77.8 34.5 98 -2.8 0 0.0 0 0.0 0 0.0 7 15
103 C 104 GLU E S S S- 0 0 -142.5 146.5 179.5 -97.1 84.4 165.1 0 0.0 0 0.0 0 0.0 0 0.0 6 25
104 C 105 ASP D - 0 0 -63.8 145.1 -178.1 -96.5 52.4 114.3 0 0.0 0 0.0 0 0.0 0 0.0 8 36
105 C 106 ILE I - 0 0 -70.0 128.0 179.5 -115.9 37.3 117.2 0 0.0 0 0.0 0 0.0 0 0.0 10 44
106 C 107 PRO P h > > T - 0 0 -60.3 143.5 -177.7 -117.8 28.0 113.7 0 0.0 110 -1.4 0 0.0 109 -0.8 10 44
107 C 108 VAL V H H > 3 TS+ 0 0 -52.8 -50.9 -179.4 52.5 109.1 28.9 0 0.0 111 -2.5 0 0.0 0 0.0 11 54
108 C 109 GLU E H H > 3 TS+ 0 0 -60.0 -30.1 -179.4 57.3 104.9 34.9 0 0.0 112 -3.1 0 0.0 0 0.0 6 45
109 C 110 ILE I H H > < TS+ 0 0 -67.6 -41.8 178.6 43.5 110.0 20.3 106 -0.8 113 -2.0 0 0.0 0 0.0 8 50
110 C 111 LEU L H H X TS+ 0 0 -65.8 -47.0 179.8 48.4 116.1 17.1 106 -1.4 114 -2.2 0 0.0 0 0.0 12 55
111 C 112 VAL V H H X TS+ 0 0 -59.1 -47.5 -179.5 50.0 110.9 22.6 107 -2.5 115 -2.4 0 0.0 0 0.0 12 60
112 C 113 ARG R H H X TS+ 0 0 -59.7 -44.5 -179.5 50.6 109.8 25.1 108 -3.1 116 -2.6 0 0.0 0 0.0 9 44
113 C 114 ARG R H H X TS+ 0 0 -60.0 -48.9 178.5 48.2 110.7 19.1 109 -2.0 117 -1.6 0 0.0 0 0.0 9 42
114 C 115 LEU L H H X TS+ 0 0 -56.8 -46.1 179.7 49.5 112.6 22.7 110 -2.2 118 -1.7 0 0.0 0 0.0 12 58
115 C 116 SER S H H X TS+ 0 0 -62.0 -40.0 179.7 56.6 105.8 24.3 111 -2.4 119 -2.9 0 0.0 0 0.0 13 48
116 C 117 ASP D H H X TS+ 0 0 -62.0 -32.5 178.2 52.1 105.2 32.0 112 -2.6 120 -1.8 0 0.0 0 0.0 9 36
117 C 118 ILE I H H X TS+ 0 0 -68.2 -40.8 178.6 47.6 110.6 26.4 113 -1.6 121 -1.5 0 0.0 0 0.0 9 45
118 C 119 LYS K H H X TS+ 0 0 -64.8 -42.8 179.7 53.6 109.7 22.8 114 -1.7 122 -0.6 0 0.0 0 0.0 13 51
119 C 120 GLN Q H H X > TS+ 0 0 -59.7 -40.6 -180.0 58.9 102.4 29.4 115 -2.9 122 -1.3 0 0.0 123 -0.9 12 44
120 C 121 GLY G H H X > TS+ 0 0 -56.3 -47.1 180.0 54.9 99.3 19.8 116 -1.8 124 -2.0 0 0.0 123 -1.5 9 33
121 C 122 TYR Y H H < 3 TS+ 0 0 -61.1 -10.3 -179.4 57.4 107.6 46.6 117 -1.5 0 0.0 0 0.0 0 0.0 14 39
122 C 123 THR T H H < < TS+ 0 0 -91.8 -26.0 -176.4 29.7 113.9 45.6 119 -1.3 0 0.0 118 -0.6 0 0.0 14 41
123 C 124 GLN Q H H < < TS+ 0 0 -114.5 -19.7 179.4 12.9 121.5 48.0 120 -1.5 0 0.0 119 -0.9 0 0.0 8 31
124 C 125 HIS H S h < TS+ 0 0 -151.5 164.0 177.6 53.6 92.6 165.2 120 -2.0 0 0.0 0 0.0 0 0.0 8 27
125 C 126 GLY G S S S- 0 0 101.2 -26.6 179.6 -112.6 83.6 83.4 0 0.0 0 0.0 0 0.0 0 0.0 7 21
126 C 127 GLY G S S S+ 0 0 69.1 23.2 179.6 129.6 72.4 43.8 0 0.0 0 0.0 0 0.0 0 0.0 8 28
127 C 128 LEU L - 0 0 -108.8 155.6 179.6 -100.0 65.2 136.6 0 0.0 0 0.0 0 0.0 0 0.0 8 30
128 C 129 ARG R - 0 0 -69.7 153.1 179.9 -108.8 45.0 115.5 0 0.0 0 0.0 0 0.0 0 0.0 8 41
129 C 130 PRO P - 0 0 -73.2 175.2 177.9 -89.8 37.6 100.3 0 0.0 0 0.0 0 0.0 0 0.0 12 51
130 C 131 PHE F - 0 0 -87.5 130.0 -179.5 -139.3 31.5 138.3 0 0.0 132 -1.6 0 0.0 0 0.0 11 54
131 C 132 GLY G e + 0 0 -89.3 66.2 -176.8 111.1 63.7 116.5 0 0.0 79 -2.5 0 0.0 0 0.0 13 56
132 C 133 VAL V E E BE - 78 0 -142.2 147.3 176.4 -166.7 46.6 169.9 130 -1.6 0 0.0 0 0.0 0 0.0 16 64
133 C 134 SER S E E BE - 77 0 -130.6 136.9 -178.9 -157.2 19.6 170.4 77 -1.9 77 -2.4 0 0.0 0 0.0 14 72
134 C 135 PHE F E E BEF - 76 150 -118.7 150.6 173.5 -158.1 16.7 153.7 150 -2.3 150 -1.8 0 0.0 0 0.0 13 82
135 C 136 ILE I E E BEF - 75 149 -120.0 124.1 179.8 -157.0 22.3 174.7 75 -1.9 75 -2.2 0 0.0 137 -0.5 17 78
136 C 137 TYR Y E E BEF - 74 148 -108.0 129.8 178.4 -171.6 9.9 158.1 148 -2.8 148 -2.1 0 0.0 138 -0.5 13 75
137 C 138 ALA A E E BEF + 73 147 -118.1 123.2 179.7 142.3 26.5 169.4 73 -2.9 73 -2.5 135 -0.5 0 0.0 16 76
138 C 139 GLY G E E BEF - 72 146 -158.6 167.9 179.8 -139.0 36.6 174.1 146 -2.2 146 -2.8 136 -0.5 0 0.0 14 65
139 C 140 TYR Y E E B F + 0 145 -131.7 145.9 175.9 160.3 21.4 164.0 71 -1.7 0 0.0 0 0.0 0 0.0 13 56
140 C 141 ASP D E E >B F T - 0 144 -155.8 163.3 -178.7 -102.7 49.2 167.4 144 -0.6 144 -1.9 0 0.0 0 0.0 12 44
141 C 142 ASP D T T 4 TS+ 0 0 -66.1 -13.1 -178.1 52.9 112.5 56.4 0 0.0 0 0.0 0 0.0 0 0.0 6 26
142 C 143 ARG R T T 4 TS+ 0 0 -92.1 -43.6 -179.0 6.3 128.8 29.6 0 0.0 0 0.0 0 0.0 0 0.0 5 19
143 C 144 TYR Y T T 4 TS- 0 0 -122.0 1.8 179.4 -148.0 87.0 68.0 0 0.0 0 0.0 0 0.0 0 0.0 7 33
144 C 145 GLY G E E T - 0 0 -125.2 172.2 -179.9 -78.9 46.5 138.8 155 -1.3 154 -2.4 0 0.0 0 0.0 12 64
152 C 153 PRO P T T 3 TS+ 0 0 -44.7 -28.4 -179.4 62.8 124.0 45.1 0 0.0 0 0.0 0 0.0 0 0.0 15 56
153 C 154 SER S T T 3 TS- 0 0 -69.8 -28.4 -178.8 -119.7 111.2 37.3 0 0.0 0 0.0 0 0.0 0 0.0 9 48
154 C 155 GLY G t < T + 0 0 98.5 10.3 178.6 137.0 67.7 54.9 151 -2.4 0 0.0 0 0.0 0 0.0 13 47
155 C 156 ASN N e - 0 0 -87.9 143.6 177.5 -170.3 32.4 134.5 0 0.0 151 -1.3 0 0.0 0 0.0 9 42
156 C 157 TYR Y E E BG + 150 0 -133.8 152.6 -178.9 178.1 7.8 165.5 0 0.0 0 0.0 0 0.0 0 0.0 11 40
157 C 158 THR T E E BG - 149 0 -146.9 163.1 -179.7 -113.5 25.0 159.5 149 -1.7 149 -1.8 0 0.0 0 0.0 7 36
158 C 159 GLY G E E BG - 148 0 -106.6 147.6 -177.0 -178.6 31.7 149.0 0 0.0 0 0.0 0 0.0 0 0.0 8 42
159 C 160 TRP W e - 0 0 -142.6 162.2 176.7 -147.0 39.7 157.2 147 -2.1 0 0.0 0 0.0 0 0.0 10 49
160 C 161 LYS K S e S- 0 0 -94.4 -26.1 178.3 -0.9 103.0 48.4 0 0.0 38 -3.6 0 0.0 0 0.0 9 51
161 C 162 ALA A E E AA S+ 37 0 -161.4 138.9 -178.0 158.0 79.3 158.4 0 0.0 0 0.0 0 0.0 0 0.0 11 64
162 C 163 ILE I E E AA - 36 0 -158.5 167.4 178.6 -155.2 20.0 166.0 36 -2.6 36 -2.9 0 0.0 0 0.0 12 63
163 C 164 SER S E E AA - 35 0 -146.6 156.6 178.2 -165.6 6.0 165.0 0 0.0 0 0.0 0 0.0 0 0.0 12 71
164 C 165 VAL V E E AA + 34 0 -140.2 160.3 179.5 33.9 51.9 161.2 34 -2.1 34 -2.3 0 0.0 0 0.0 13 69
165 C 166 GLY G S t > TS+ 0 0 99.2 -149.9 -179.9 12.7 100.2 135.2 0 0.0 168 -0.7 0 0.0 0 0.0 15 56
166 C 167 ALA A T T 3 TS+ 0 0 -67.2 146.9 176.8 8.5 124.1 108.2 31 -2.4 0 0.0 0 0.0 0 0.0 10 49
167 C 168 ASN N T h > 3 TS+ 0 0 53.3 43.7 179.3 154.1 71.5 36.3 0 0.0 171 -2.3 0 0.0 0 0.0 9 41
168 C 169 THR T H H > < T + 0 0 -64.8 -50.1 179.6 54.6 69.1 16.1 165 -0.7 172 -3.5 0 0.0 0 0.0 11 49
169 C 170 SER S H H > TS+ 0 0 -48.6 -49.4 179.5 43.8 113.0 23.3 0 0.0 173 -2.1 0 0.0 0 0.0 6 31
170 C 171 ALA A H H > TS+ 0 0 -62.6 -48.8 -179.0 45.9 116.6 19.8 0 0.0 174 -1.9 0 0.0 0 0.0 8 34
171 C 172 ALA A H H X TS+ 0 0 -63.8 -39.9 -179.9 51.1 111.6 28.8 167 -2.3 175 -2.0 0 0.0 0 0.0 12 45
172 C 173 GLN Q H H X TS+ 0 0 -66.6 -38.9 178.8 53.4 108.1 25.3 168 -3.5 176 -2.9 0 0.0 0 0.0 10 42
173 C 174 THR T H H X TS+ 0 0 -61.6 -42.1 -178.8 45.4 111.3 23.2 169 -2.1 177 -0.8 0 0.0 0 0.0 8 32
174 C 175 LEU L H H X TS+ 0 0 -69.9 -35.4 179.7 49.0 113.9 32.8 170 -1.9 178 -2.0 0 0.0 0 0.0 9 35
175 C 176 LEU L H H X TS+ 0 0 -68.1 -50.3 179.2 51.9 108.5 18.8 171 -2.0 179 -1.9 0 0.0 0 0.0 12 44
176 C 177 GLN Q H H < TS+ 0 0 -59.8 -18.9 -179.9 53.0 111.3 45.0 172 -2.9 0 0.0 0 0.0 0 0.0 7 31
177 C 178 MET M H H < TS+ 0 0 -81.0 -59.2 -177.8 26.4 118.6 15.4 173 -0.8 0 0.0 0 0.0 0 0.0 6 27
178 C 179 ASP D H H < TS+ 0 0 -87.2 -3.1 -178.9 111.2 94.7 62.1 174 -2.0 0 0.0 0 0.0 0 0.0 7 34
179 C 180 TYR Y h < T - 0 0 -81.2 133.2 179.1 -176.1 41.4 125.8 175 -1.9 0 0.0 0 0.0 0 0.0 9 37
180 C 181 LYS K t > T - 0 0 -130.5 127.7 -178.7 -126.5 31.8 172.1 0 0.0 183 -2.5 0 0.0 0 0.0 5 30
181 C 182 ASP D T T 3 TS+ 0 0 -40.9 -28.5 -178.8 53.1 107.9 51.0 0 0.0 0 0.0 0 0.0 0 0.0 6 28
182 C 183 ASP D T T 3 TS+ 0 0 -98.8 15.6 -179.6 148.0 80.3 80.2 0 0.0 0 0.0 0 0.0 0 0.0 6 23
183 C 184 MET M t < T - 0 0 -51.4 154.0 178.8 -137.9 40.1 92.7 180 -2.5 40 -1.9 0 0.0 0 0.0 10 30
184 C 185 LYS K h > T - 0 0 -109.8 154.9 -179.8 -112.1 24.6 140.0 0 0.0 188 -2.0 0 0.0 0 0.0 10 32
185 C 186 VAL V H H > TS+ 0 0 -55.0 -49.6 179.3 56.4 117.0 21.6 0 0.0 189 -2.8 0 0.0 0 0.0 14 48
186 C 187 ASP D H H > TS+ 0 0 -50.8 -35.3 179.7 46.7 111.1 29.7 0 0.0 190 -1.4 0 0.0 0 0.0 6 44
187 C 188 ASP D H H > TS+ 0 0 -75.3 -37.5 179.4 53.4 109.0 28.7 0 0.0 191 -2.1 0 0.0 0 0.0 8 41
188 C 189 ALA A H H X TS+ 0 0 -64.7 -38.9 178.8 57.8 103.4 28.7 184 -2.0 192 -2.9 0 0.0 0 0.0 14 54
189 C 190 ILE I H H X TS+ 0 0 -54.5 -54.9 179.5 47.6 107.3 12.4 185 -2.8 193 -2.6 0 0.0 0 0.0 9 59
190 C 191 GLU E H H X TS+ 0 0 -53.0 -50.6 180.0 48.7 112.3 25.7 186 -1.4 194 -3.0 0 0.0 0 0.0 9 51
191 C 192 LEU L H H X TS+ 0 0 -58.7 -48.5 -179.0 49.8 110.5 20.6 187 -2.1 195 -3.1 0 0.0 0 0.0 11 57
192 C 193 ALA A H H X TS+ 0 0 -55.8 -50.3 179.7 43.0 116.1 16.3 188 -2.9 196 -2.3 0 0.0 0 0.0 14 69
193 C 194 LEU L H H X TS+ 0 0 -62.8 -41.4 179.3 51.9 113.1 28.9 189 -2.6 197 -2.4 0 0.0 0 0.0 10 63
194 C 195 LYS K H H X TS+ 0 0 -59.3 -50.8 -179.4 50.2 110.0 17.2 190 -3.0 198 -1.7 0 0.0 0 0.0 9 55
195 C 196 THR T H H X TS+ 0 0 -56.2 -47.9 178.5 47.3 110.5 25.2 191 -3.1 199 -0.9 0 0.0 0 0.0 11 54
196 C 197 LEU L H H X > TS+ 0 0 -60.3 -44.6 -179.1 57.6 108.4 18.9 192 -2.3 200 -2.0 0 0.0 199 -1.3 13 62
197 C 198 SER S H H < 3 TS+ 0 0 -54.9 -36.5 -179.7 44.1 109.3 34.1 193 -2.4 0 0.0 0 0.0 0 0.0 10 50
198 C 199 LYS K H H < 3 TS+ 0 0 -87.5 -9.2 -179.3 40.8 119.6 53.9 194 -1.7 0 0.0 0 0.0 0 0.0 6 41
199 C 200 THR T H H < < TS+ 0 0 -113.3 -12.3 178.6 121.4 81.4 58.5 196 -1.3 0 0.0 195 -0.9 0 0.0 9 44
200 C 201 THR T h < T - 0 0 -50.5 145.3 178.4 -149.2 54.0 99.5 196 -2.0 0 0.0 0 0.0 0 0.0 9 44
201 C 202 ASP D S S S+ 0 0 -94.1 -7.3 -178.8 78.4 76.5 57.9 0 0.0 0 0.0 0 0.0 0 0.0 4 33
202 C 203 SER S S S S- 0 0 -102.7 162.6 -178.6 -95.0 95.3 126.7 0 0.0 0 0.0 0 0.0 0 0.0 5 29
203 C 204 SER S S S S- 0 0 -34.9 -82.0 -178.8 -11.3 93.1 30.1 0 0.0 0 0.0 0 0.0 0 0.0 5 22
204 C 205 ALA A S S S- 0 0 -131.6 153.0 179.9 -104.9 71.6 159.6 0 0.0 206 -0.8 0 0.0 0 0.0 6 28
205 C 206 LEU L + 0 0 -79.7 109.1 179.9 177.0 47.8 134.1 0 0.0 0 0.0 0 0.0 0 0.0 11 44
206 C 207 THR T g > T - 0 0 -114.4 155.7 -178.5 -113.0 40.5 149.0 204 -0.8 209 -2.0 0 0.0 0 0.0 8 44
207 C 208 TYR Y G G > TS+ 0 0 -52.9 -43.2 -179.4 62.4 112.0 32.0 0 0.0 210 -2.2 0 0.0 0 0.0 10 48
208 C 209 ASP D G G 3 TS+ 0 0 -62.2 -9.6 -179.2 55.3 101.6 53.8 0 0.0 0 0.0 0 0.0 0 0.0 6 47
209 C 210 ARG R G e < TS+ 0 0 -108.1 13.6 -178.2 76.1 100.8 74.0 206 -2.0 49 -2.6 0 0.0 0 0.0 10 53
210 C 211 LEU L E E AC < T - 48 0 -129.7 162.8 175.6 -165.7 49.7 146.1 207 -2.2 0 0.0 0 0.0 0 0.0 12 68
211 C 212 GLU E E E AC - 47 0 -137.2 137.1 -177.0 -176.0 23.3 166.2 47 -2.0 47 -2.8 0 0.0 0 0.0 14 62
212 C 213 PHE F E E AC + 46 0 -143.6 140.4 179.4 170.7 8.2 177.5 0 0.0 229 -2.5 0 0.0 0 0.0 12 69
213 C 214 ALA A E E ACH - 45 228 -149.1 149.4 177.1 -168.7 9.5 174.6 45 -3.1 45 -3.3 0 0.0 0 0.0 12 69
214 C 215 THR T E E ACH - 44 227 -136.7 148.3 177.3 -151.0 13.4 167.0 227 -1.6 227 -2.6 0 0.0 216 -0.5 11 64
215 C 216 ILE I E E ACH + 43 226 -120.5 109.5 -178.6 171.1 31.7 171.2 43 -2.2 43 -2.2 0 0.0 0 0.0 14 57
216 C 217 ARG R E E ACH - 42 225 -122.0 152.9 177.9 -141.2 38.1 157.3 225 -2.3 225 -2.7 214 -0.5 218 -0.8 11 47
217 C 218 LYS K e - 0 0 -110.2 77.0 -179.7 -148.7 29.9 139.3 41 -0.8 0 0.0 0 0.0 0 0.0 11 36
218 C 219 GLY G - 0 0 -51.1 114.5 -178.7 -135.7 10.0 110.4 216 -0.8 0 0.0 0 0.0 0 0.0 8 25
219 C 220 ALA A S S S+ 0 0 -47.9 -19.5 179.5 69.1 97.9 52.7 0 0.0 221 -0.8 0 0.0 0 0.0 5 16
220 C 221 ASN N S S S+ 0 0 -102.9 65.0 -179.2 17.6 112.0 126.0 0 0.0 0 0.0 0 0.0 0 0.0 4 10
221 C 222 ASP D S S S- 0 0 172.6 -130.4 -179.9 -129.0 75.4 148.1 219 -0.8 0 0.0 0 0.0 0 0.0 6 12
222 C 223 GLY G S S S+ 0 0 -177.6 -46.2 179.5 92.1 72.5 83.0 0 0.0 0 0.0 0 0.0 0 0.0 7 19
223 C 224 GLU E S S S- 0 0 -68.5 144.4 179.6 -108.2 83.6 112.8 0 0.0 0 0.0 0 0.0 0 0.0 5 27
224 C 225 VAL V - 0 0 -77.0 128.7 -178.2 -141.8 33.0 131.0 0 0.0 226 -0.5 0 0.0 0 0.0 11 43
225 C 226 TYR Y E E AH - 216 0 -102.0 123.1 178.3 -160.5 9.8 145.9 216 -2.7 216 -2.3 0 0.0 227 -0.6 10 35
226 C 227 GLN Q E E AH - 215 0 -97.4 121.3 -180.0 -168.6 13.9 155.2 224 -0.5 228 -0.5 0 0.0 0 0.0 11 47
227 C 228 LYS K E E AH - 214 0 -119.0 115.5 178.1 -161.2 12.7 159.8 214 -2.6 214 -1.6 225 -0.6 229 -0.8 7 43
228 C 229 ILE I E E AH - 213 0 -93.0 112.4 -177.7 -123.8 31.7 147.0 226 -0.5 0 0.0 0 0.0 0 0.0 9 49
229 C 230 PHE F e - 0 0 -59.9 139.4 179.1 -136.9 18.0 108.3 212 -2.5 0 0.0 227 -0.8 0 0.0 9 44
230 C 231 LYS K h > > T - 0 0 -93.6 152.8 180.0 -98.8 30.9 128.6 0 0.0 234 -1.8 0 0.0 233 -1.3 7 34
231 C 232 PRO P H H > > TS+ 0 0 -35.8 -60.3 -179.4 47.0 123.7 28.9 0 0.0 235 -2.1 0 0.0 234 -0.8 10 36
232 C 233 GLN Q H H > 3 TS+ 0 0 -58.2 -29.7 -179.6 54.1 110.3 35.8 0 0.0 236 -2.3 0 0.0 0 0.0 7 27
233 C 234 GLU E H H > < TS+ 0 0 -73.9 -31.7 178.8 49.8 107.4 33.6 230 -1.3 237 -2.6 0 0.0 0 0.0 8 31
234 C 235 ILE I H H X < TS+ 0 0 -72.7 -36.5 178.2 50.9 110.4 30.2 230 -1.8 238 -1.4 231 -0.8 0 0.0 13 46
235 C 236 LYS K H H X TS+ 0 0 -64.1 -47.1 179.7 48.0 112.2 16.5 231 -2.1 239 -1.1 0 0.0 0 0.0 10 35
236 C 237 ASP D H H X > TS+ 0 0 -58.8 -53.4 -179.5 44.5 113.1 20.2 232 -2.3 240 -1.7 0 0.0 239 -0.9 8 29
237 C 238 ILE I H H X 3 TS+ 0 0 -65.3 -23.2 -179.7 61.4 107.6 40.7 233 -2.6 241 -1.4 0 0.0 0 0.0 8 42
238 C 239 LEU L H H < 3>TS+ 0 0 -73.6 -27.5 178.7 45.8 106.5 38.8 234 -1.4 243 -2.0 0 0.0 244 -0.9 12 42
239 C 240 VAL V H H < X5TS+ 0 0 -78.5 -54.0 -179.1 54.1 107.5 17.2 235 -1.1 242 -1.1 236 -0.9 0 0.0 9 27
240 C 241 LYS K H H < 35TS+ 0 0 -48.5 -43.3 179.8 47.6 111.1 31.2 236 -1.7 0 0.0 0 0.0 0 0.0 6 24
241 C 242 THR T T h < 35TS- 0 0 -72.0 -27.5 177.3 -111.3 120.0 41.4 237 -1.4 0 0.0 0 0.0 0 0.0 7 30
242 C 243 GLY G T T <5TS+ 0 0 102.3 42.8 178.7 109.9 84.0 30.2 239 -1.1 0 0.0 0 0.0 0 0.0 6 26
243 C 244 ILE I t >3<< >33< >33< >>3<< >33< >33< 3-turns
bridge-2 BBBBBB CCCCCCC EEEEEEE bridge-2
bridge-1 A A AAAA BBBBBB DDD DDD bridge-1
sheets AAAAAA AAAAAAA BBB BBBBBBB sheets
4-turns >>>>XXXX<<<< >>>>XXXXXXXXXXXXXXXX<< 4-turns
summary gGGGg tTTtBtTTt hHHHHHHHHHHhTt eEEEEEETeEEEEEEEeSS SSS tTTt SeEEEeSSeEEEEEEEhHHHHHHHHHHHHHHHHHHHHH summary
sequence GSRRYDSRTTIFSPEGRLYQVEYALESISHAGTAIGIMASDGIVLAAERKVTSTLLEQDTSTEKLYKLNDKIAVAVAGLTADAEILINTARIHAQNYLKT sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HSS HHHHHHHHHHHHHHHHHSSS EEEEEEEEETTTEEEEEEE TT EEE SEEEESTTHHHHHHHHHHH TT HHHHHHHHHHHHHHH Kabs/Sand
chirality -+----++++++++++++++++++-+----+-----+-+-++-++-+----+-+-+----+--+++++++++++++++--++--+++++++++++++++- chirality
bends SSS SSSSSSSSSSSSSSSSSSSS SSS S SS SS SSS SSSSSSSSSS SS SSSSSSSSSSSSSSS bends
turns TT TTTTTTTTTTTTTTTTTTT TTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >>3<< >33< >33< >33< >33< 3-turns
bridge-2 FFFFFFF GGG bridge-2
bridge-1 EEEEEEE FFFFFFF GGG AAAA bridge-1
sheets BBBBBBBBB BBBBBBB BBB AAAA sheets
4-turns << >>>>XXXXXXXXXXX<<<< >444< >>>>XXXXX<<<< >>>>XXXXXXXXX<<<< 4-turns
summary HhS hHHHHHHHHHHHHHHHHHhSS eEEEEEEEEETTTEEEEEEEeTTteEEEeeEEEEtThHHHHHHHHHHHhtTTthHHHHHHHHHHHHHHHh summary
sequence YNEDIPVEILVRRLSDIKQGYTQHGGLRPFGVSFIYAGYDDRYGYQLYTSNPSGNYTGWKAISVGANTSAAQTLLQMDYKDDMKVDDAIELALKTLSKTT sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand SSSS GGGEEEEEEE SSSSS EEEE HHHHHHHHHHTT Kabs/Sand
chirality +---+-+++--+--+---++-+--------++++++++++-+ chirality
bends SSSS SSS SSSSS SSSSSSSSSSSS bends
turns TTTTT TTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >>3<< >>3<< >33X33< 3-turns
bridge-2 HHHH bridge-2
bridge-1 CCCCCCC HHHH bridge-1
sheets AAAAAAA AAAA sheets
4-turns >>>>XXXX<<<< 4-turns
summary SSSS gGGeEEEEEEEe SSSSS EEEEehHHHHHHHHHHhTt summary
sequence DSSALTYDRLEFATIRKGANDGEVYQKIFKPQEIKDILVKTGIT sequence
210 220 230 240