Secondary structure calculation program - copyright by David Keith Smith, 1989
1pma1.pdb
1PMA PROTEASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 203
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 1 1 THR T e 0 0 999.9 132.5 -178.2 999.9 999.9 999.9 0 0.0 130 -1.3 0 0.0 129 -1.0 14 61
2 1 2 THR T E E AA + 128 0 -143.4 135.5 179.7 175.0 999.9 172.3 0 0.0 17 -1.2 0 0.0 0 0.0 15 67
3 1 3 THR T E E AAB - 127 16 -132.0 161.6 -179.5 -169.4 6.5 155.5 127 -3.0 127 -2.9 0 0.0 0 0.0 18 74
4 1 4 VAL V E E AAB - 126 15 -156.4 137.9 177.6 -166.4 8.9 171.5 15 -2.6 15 -2.6 0 0.0 0 0.0 14 76
5 1 5 GLY G E E AAB - 125 14 -125.4 135.2 -177.2 -171.2 16.5 175.9 125 -2.1 125 -2.0 0 0.0 0 0.0 15 77
6 1 6 ILE I E E AAB - 124 13 -134.1 142.9 179.4 -145.4 12.2 166.9 13 -3.3 13 -2.2 0 0.0 0 0.0 11 71
7 1 7 THR T E E A B + 0 12 -105.4 148.4 176.4 158.0 24.4 139.8 123 -2.7 0 0.0 0 0.0 0 0.0 13 60
8 1 8 LEU L E E A B> T - 0 11 -168.3 137.8 179.3 -56.9 56.6 152.5 11 -1.6 11 -2.6 0 0.0 0 0.0 13 45
9 1 9 LYS K T T 3 TS- 0 0 29.4 -95.7 -177.9 -5.9 121.3 81.4 144 -0.7 0 0.0 0 0.0 0 0.0 9 36
10 1 10 ASP D T e 3 TS+ 0 0 -119.1 36.4 179.3 39.7 126.0 95.8 0 0.0 180 -0.6 0 0.0 0 0.0 8 40
11 1 11 ALA A E E ABC< T - 8 179 -164.9 176.3 177.6 -134.4 60.7 161.9 8 -2.6 8 -1.6 0 0.0 0 0.0 13 50
12 1 12 VAL V E E ABC - 7 178 -145.8 137.1 -178.2 -156.1 15.5 168.9 178 -1.8 178 -3.1 0 0.0 0 0.0 17 68
13 1 13 ILE I E E ABC - 6 177 -117.5 141.9 179.6 -175.9 10.0 157.8 6 -2.2 6 -3.3 0 0.0 0 0.0 14 72
14 1 14 MET M E E ABC + 5 176 -136.7 144.4 179.2 165.2 8.9 169.3 176 -2.5 176 -2.6 0 0.0 0 0.0 16 75
15 1 15 ALA A E E ABC + 4 175 -157.6 159.4 179.0 174.8 9.6 169.6 4 -2.6 4 -2.6 0 0.0 0 0.0 14 80
16 1 16 THR T E E ABC - 3 174 -153.0 170.3 173.2 -125.0 27.2 155.5 174 -2.0 174 -2.5 0 0.0 0 0.0 15 74
17 1 17 GLU E e - 0 0 -103.1 -163.9 -177.9 -134.1 28.0 114.1 2 -1.2 0 0.0 0 0.0 0 0.0 15 68
18 1 18 ARG R + 0 0 -154.1 40.8 179.3 135.2 46.5 82.5 170 -1.9 31 -3.4 0 0.0 20 -0.6 15 52
19 1 19 ARG R - 0 0 -93.8 120.2 178.7 -165.9 30.3 140.8 170 -0.6 21 -0.6 0 0.0 0 0.0 14 46
20 1 20 VAL V E E BD + 28 0 -109.4 121.4 -176.2 170.8 18.2 155.7 28 -2.9 28 -2.6 18 -0.6 0 0.0 13 41
21 1 21 THR T E E B* - 0 0 -125.7 170.6 177.7 -138.0 37.1 138.7 19 -0.6 0 0.0 0 0.0 0 0.0 10 33
22 1 22 MET M E E BD > TS- 25 0 -131.5 88.1 -177.0 -57.1 78.1 146.0 25 -2.0 25 -1.5 0 0.0 24 -0.6 7 24
23 1 23 GLU E T T 3 TS- 0 0 74.4 -113.4 179.0 -21.5 120.5 131.1 0 0.0 0 0.0 0 0.0 0 0.0 6 20
24 1 24 ASN N T T 3 TS+ 0 0 -99.2 -16.4 -179.9 96.7 119.2 51.7 22 -0.6 26 -1.6 0 0.0 0 0.0 7 17
25 1 25 PHE F E E BD < T - 22 0 -76.6 90.4 179.6 -156.5 66.9 124.7 22 -1.5 22 -2.0 0 0.0 27 -1.3 6 16
26 1 26 ILE I E E B* + 0 0 -71.6 97.6 -177.1 172.4 21.5 123.9 24 -1.6 0 0.0 0 0.0 0 0.0 11 23
27 1 27 MET M E E B* + 0 0 -84.3 -27.7 178.8 33.2 57.6 44.2 25 -1.3 0 0.0 0 0.0 0 0.0 7 21
28 1 28 HIS H E E BD - 20 0 -136.1 120.8 -178.8 -173.1 52.7 162.6 20 -2.6 20 -2.9 0 0.0 0 0.0 8 25
29 1 29 LYS K S S S+ 0 0 -84.1 -18.2 179.4 50.3 80.3 50.6 0 0.0 0 0.0 0 0.0 0 0.0 10 29
30 1 30 ASN N + 0 0 -125.3 77.9 177.9 152.1 67.4 130.7 0 0.0 0 0.0 0 0.0 0 0.0 9 27
31 1 31 GLY G - 0 0 -92.9 169.0 178.7 -123.3 41.1 117.8 18 -3.4 33 -0.5 0 0.0 0 0.0 8 37
32 1 32 LYS K + 0 0 -119.4 125.6 -179.0 158.7 37.5 167.3 0 0.0 0 0.0 0 0.0 0 0.0 6 49
33 1 33 LYS K e + 0 0 -118.9 -11.1 179.7 76.4 55.4 56.5 31 -0.5 45 -1.8 0 0.0 35 -0.5 11 60
34 1 34 LEU L E E CE + 44 0 -107.1 127.8 179.9 173.8 56.2 152.2 0 0.0 0 0.0 0 0.0 0 0.0 13 65
35 1 35 PHE F E E CE - 43 0 -136.3 133.2 176.0 -137.0 29.0 178.0 43 -2.1 43 -2.6 33 -0.5 0 0.0 9 52
36 1 36 GLN Q E E CE + 42 0 -79.3 147.8 -177.0 179.7 22.6 130.9 0 0.0 0 0.0 0 0.0 0 0.0 9 54
37 1 37 ILE I E E C* + 0 0 -130.0 -8.0 179.5 1.3 62.0 59.7 41 -2.9 0 0.0 0 0.0 0 0.0 11 54
38 1 38 ASP D E E CE > TS- 41 0 -174.4 152.6 -178.5 -85.2 87.3 156.2 41 -1.6 41 -2.9 0 0.0 0 0.0 9 48
39 1 39 THR T T T 3 TS+ 0 0 -34.0 -43.5 -179.3 25.8 128.5 42.7 0 0.0 184 -1.4 0 0.0 0 0.0 7 45
40 1 40 TYR Y T e 3 TS+ 0 0 -119.6 35.8 178.8 62.2 117.6 94.6 0 0.0 104 -2.1 0 0.0 0 0.0 12 49
41 1 41 THR T E E CEF< T - 38 103 -160.5 148.3 180.0 -172.5 49.0 169.4 38 -2.9 37 -2.9 0 0.0 38 -1.6 14 64
42 1 42 GLY G E E CEF - 36 102 -132.1 174.0 -179.3 -150.5 9.7 142.5 102 -2.7 102 -1.5 0 0.0 0 0.0 14 72
43 1 43 MET M E E CEF - 35 101 -149.6 147.1 179.4 -144.1 5.8 173.5 35 -2.6 35 -2.1 0 0.0 0 0.0 12 80
44 1 44 THR T E E CEF - 34 100 -121.0 127.7 -178.5 -150.9 13.1 164.9 100 -3.0 100 -1.6 0 0.0 0 0.0 13 75
45 1 45 ILE I e + 0 0 -93.2 147.5 177.3 166.6 19.9 129.8 33 -1.8 0 0.0 0 0.0 0 0.0 14 65
46 1 46 ALA A + 0 0 -161.5 126.8 -179.7 30.3 44.7 150.3 0 0.0 98 -2.2 0 0.0 0 0.0 15 55
47 1 47 GLY G B B A S+ 97 0 130.0 -143.5 179.7 15.8 101.6 164.5 0 0.0 49 -0.5 0 0.0 0 0.0 10 50
48 1 48 LEU L h > T - 0 0 -75.0 118.5 179.5 -143.3 65.5 127.4 96 -1.9 52 -2.6 0 0.0 0 0.0 8 37
49 1 49 VAL V H H > TS+ 0 0 -45.2 -57.2 179.8 55.3 93.7 30.2 47 -0.5 53 -2.9 0 0.0 0 0.0 7 38
50 1 50 GLY G H H > TS+ 0 0 -44.1 -60.6 -179.2 40.5 114.2 16.4 0 0.0 54 -2.0 0 0.0 0 0.0 6 26
51 1 51 ASP D H H > TS+ 0 0 -54.3 -50.8 -179.0 54.4 114.0 24.4 0 0.0 55 -2.2 0 0.0 0 0.0 11 33
52 1 52 ALA A H H X TS+ 0 0 -51.0 -53.1 -179.1 45.5 109.9 24.2 48 -2.6 56 -2.0 0 0.0 0 0.0 14 45
53 1 53 GLN Q H H X TS+ 0 0 -60.5 -59.1 -178.3 47.2 111.7 13.9 49 -2.9 57 -2.4 0 0.0 0 0.0 9 34
54 1 54 VAL V H H X TS+ 0 0 -53.2 -36.3 179.6 55.0 111.8 26.9 50 -2.0 58 -2.6 0 0.0 0 0.0 8 32
55 1 55 LEU L H H X TS+ 0 0 -62.3 -44.8 179.9 49.7 105.8 24.6 51 -2.2 59 -2.7 0 0.0 0 0.0 8 50
56 1 56 VAL V H H X TS+ 0 0 -61.5 -44.5 -179.9 52.8 109.8 15.8 52 -2.0 60 -3.3 0 0.0 0 0.0 11 47
57 1 57 ARG R H H X TS+ 0 0 -54.7 -55.1 179.8 44.1 111.9 19.9 53 -2.4 61 -2.4 0 0.0 0 0.0 8 34
58 1 58 TYR Y H H X TS+ 0 0 -52.6 -59.7 -178.9 50.5 114.0 10.6 54 -2.6 62 -3.1 0 0.0 0 0.0 8 33
59 1 59 MET M H H X TS+ 0 0 -43.8 -49.4 -179.1 49.3 111.5 31.1 55 -2.7 63 -2.1 0 0.0 0 0.0 10 51
60 1 60 LYS K H H X TS+ 0 0 -57.5 -61.2 -178.5 39.3 115.8 15.7 56 -3.3 64 -2.2 0 0.0 0 0.0 10 42
61 1 61 ALA A H H X TS+ 0 0 -59.2 -45.7 179.1 54.8 113.5 24.1 57 -2.4 65 -2.8 0 0.0 0 0.0 8 29
62 1 62 GLU E H H X TS+ 0 0 -54.9 -40.4 179.6 48.7 110.5 25.9 58 -3.1 66 -2.1 0 0.0 0 0.0 8 38
63 1 63 LEU L H H X TS+ 0 0 -67.2 -44.9 -180.0 47.4 111.3 24.2 59 -2.1 67 -2.0 0 0.0 0 0.0 12 41
64 1 64 GLU E H H X TS+ 0 0 -65.9 -39.8 178.9 51.9 110.7 29.0 60 -2.2 68 -1.7 0 0.0 0 0.0 9 30
65 1 65 LEU L H H X > TS+ 0 0 -59.6 -54.4 -179.7 49.4 109.9 8.2 61 -2.8 69 -2.5 0 0.0 68 -0.7 8 23
66 1 66 TYR Y H H X 3 TS+ 0 0 -52.0 -44.3 -180.0 55.0 107.0 32.0 62 -2.1 70 -2.3 0 0.0 0 0.0 11 25
67 1 67 ARG R H H X 3 TS+ 0 0 -58.2 -43.1 179.8 45.0 111.0 26.6 63 -2.0 71 -1.1 0 0.0 0 0.0 11 25
68 1 68 LEU L H H < < TS+ 0 0 -64.5 -51.6 -178.7 44.9 116.7 15.2 64 -1.7 0 0.0 65 -0.7 0 0.0 8 16
69 1 69 GLN Q H H < TS+ 0 0 -63.9 -30.9 -179.1 34.7 123.7 44.1 65 -2.5 0 0.0 0 0.0 0 0.0 6 13
70 1 70 ARG R H H < TS- 0 0 -106.8 -3.3 177.2 -136.4 92.9 65.2 66 -2.3 0 0.0 0 0.0 0 0.0 7 15
71 1 71 ARG R S h < TS+ 0 0 57.1 17.8 178.4 77.2 79.7 44.7 67 -1.1 0 0.0 0 0.0 0 0.0 7 15
72 1 72 VAL V S S S- 0 0 -151.1 157.1 -179.9 -96.1 89.0 167.6 0 0.0 0 0.0 0 0.0 0 0.0 6 23
73 1 73 ASN N - 0 0 -79.2 144.9 179.2 -104.8 43.7 125.3 0 0.0 0 0.0 0 0.0 0 0.0 7 38
74 1 74 MET M - 0 0 -68.8 132.9 179.8 -112.5 38.9 115.4 0 0.0 0 0.0 0 0.0 0 0.0 9 41
75 1 75 PRO P h > T - 0 0 -64.7 148.7 -178.9 -119.8 21.2 110.7 0 0.0 79 -2.8 0 0.0 0 0.0 7 41
76 1 76 ILE I H H > TS+ 0 0 -57.2 -50.4 179.5 48.4 115.4 21.1 0 0.0 80 -2.7 0 0.0 0 0.0 13 57
77 1 77 GLU E H H > TS+ 0 0 -58.6 -32.4 179.8 56.1 111.1 28.0 0 0.0 81 -2.7 0 0.0 0 0.0 8 41
78 1 78 ALA A H H > TS+ 0 0 -64.0 -56.4 -179.1 43.7 107.7 10.3 0 0.0 82 -2.9 0 0.0 0 0.0 8 47
79 1 79 VAL V H H X TS+ 0 0 -56.6 -42.6 178.9 52.9 113.3 20.4 75 -2.8 83 -2.9 0 0.0 0 0.0 10 56
80 1 80 ALA A H H X TS+ 0 0 -55.5 -51.5 178.9 48.4 110.2 20.7 76 -2.7 84 -2.8 0 0.0 0 0.0 12 53
81 1 81 THR T H H X TS+ 0 0 -54.9 -49.2 178.7 52.6 109.4 21.9 77 -2.7 85 -2.8 0 0.0 0 0.0 9 37
82 1 82 LEU L H H X TS+ 0 0 -49.9 -59.6 -179.7 45.5 111.8 12.2 78 -2.9 86 -2.1 0 0.0 0 0.0 8 45
83 1 83 LEU L H H X TS+ 0 0 -51.3 -44.7 180.0 55.9 109.8 27.3 79 -2.9 87 -2.7 0 0.0 0 0.0 10 58
84 1 84 SER S H H X TS+ 0 0 -54.5 -51.1 179.7 48.4 107.7 21.3 80 -2.8 88 -2.5 0 0.0 0 0.0 13 41
85 1 85 ASN N H H X TS+ 0 0 -59.2 -41.2 178.2 51.2 110.9 29.9 81 -2.8 89 -1.7 0 0.0 0 0.0 9 32
86 1 86 MET M H H < TS+ 0 0 -59.8 -56.3 -179.0 41.5 114.6 12.3 82 -2.1 0 0.0 0 0.0 0 0.0 9 39
87 1 87 LEU L H H < > TS+ 0 0 -61.1 -43.0 -179.8 47.6 115.6 34.6 83 -2.7 90 -0.7 0 0.0 0 0.0 13 40
88 1 88 ASN N H H < > TS+ 0 0 -69.1 -34.8 -179.3 68.4 99.6 31.9 84 -2.5 91 -1.9 0 0.0 0 0.0 12 29
89 1 89 GLN Q T h < 3 TS+ 0 0 -59.3 -14.0 -179.8 30.7 113.5 49.2 85 -1.7 0 0.0 0 0.0 0 0.0 7 23
90 1 90 VAL V T T X TS+ 0 0 -134.4 29.6 -179.1 134.7 74.9 86.7 87 -0.7 93 -2.7 0 0.0 0 0.0 10 22
91 1 91 LYS K T T < TS+ 0 0 -52.1 -28.1 -178.9 60.4 71.3 42.3 88 -1.9 0 0.0 0 0.0 0 0.0 11 23
92 1 92 TYR Y T T 3 TS+ 0 0 -82.3 -3.7 176.8 23.4 121.3 57.5 0 0.0 0 0.0 0 0.0 0 0.0 4 17
93 1 93 MET M S t < TS- 0 0 -154.8 57.8 -178.4 -171.7 103.3 112.4 90 -2.7 0 0.0 0 0.0 0 0.0 5 17
94 1 94 PRO P - 0 0 -59.0 154.4 176.5 -113.2 35.5 88.0 0 0.0 96 -1.1 0 0.0 0 0.0 10 30
95 1 95 TYR Y - 0 0 -88.0 98.6 -179.0 -135.1 39.3 144.1 0 0.0 97 -1.6 0 0.0 0 0.0 10 37
96 1 96 MET M + 0 0 -63.7 92.1 -179.3 113.8 61.5 115.5 94 -1.1 48 -1.9 0 0.0 0 0.0 9 38
97 1 97 VAL V B e A - 47 0 -153.7 170.1 179.3 -141.0 57.9 158.6 95 -1.6 115 -0.8 0 0.0 0 0.0 12 47
98 1 98 GLN Q E E C G - 0 114 -143.7 107.4 -176.6 -164.9 27.4 148.2 46 -2.2 0 0.0 0 0.0 0 0.0 13 55
99 1 99 LEU L E E C G - 0 113 -102.6 150.0 179.4 -168.7 16.6 134.1 113 -1.3 113 -3.1 0 0.0 0 0.0 12 77
100 1 100 LEU L E E CFG - 44 112 -133.2 114.7 179.4 -176.7 12.8 173.8 44 -1.6 44 -3.0 0 0.0 0 0.0 15 72
101 1 101 VAL V E E CFG + 43 111 -120.6 126.5 179.9 168.5 7.7 168.7 111 -2.5 111 -3.5 0 0.0 0 0.0 15 77
102 1 102 GLY G E E CFG + 42 110 -132.7 159.3 180.0 132.2 7.8 160.1 42 -1.5 42 -2.7 0 0.0 0 0.0 15 76
103 1 103 GLY G E E CFG - 41 109 -178.6 -170.8 -179.5 -99.3 43.9 165.8 109 -2.4 109 -2.0 0 0.0 0 0.0 13 66
104 1 104 ILE I E E C G + 0 108 -143.5 114.6 178.2 143.5 41.1 162.8 40 -2.1 0 0.0 0 0.0 0 0.0 15 53
105 1 105 ASP D S e S- 0 0 -108.6 -105.0 177.7 -17.0 91.8 66.3 107 -1.9 0 0.0 0 0.0 0 0.0 10 39
106 1 106 THR T S S S- 0 0 -77.4 -13.6 179.9 -2.2 144.6 51.1 0 0.0 0 0.0 0 0.0 0 0.0 4 29
107 1 107 ALA A S e S- 0 0 -165.0 165.3 -180.0 -75.2 95.5 164.0 0 0.0 105 -1.9 0 0.0 0 0.0 6 34
108 1 108 PRO P E E CG + 104 0 -69.7 157.5 179.7 178.8 50.4 110.7 0 0.0 0 0.0 0 0.0 0 0.0 14 50
109 1 109 HIS H E E CG - 103 0 -157.2 152.0 179.2 -172.2 19.0 167.5 103 -2.0 103 -2.4 0 0.0 0 0.0 15 53
110 1 110 VAL V E E CG - 102 0 -151.8 115.6 -178.2 -166.8 12.1 157.5 0 0.0 122 -1.8 0 0.0 0 0.0 17 62
111 1 111 PHE F E E CGH - 101 121 -115.0 134.1 178.6 -148.8 12.2 158.0 101 -3.5 101 -2.5 0 0.0 0 0.0 14 52
112 1 112 SER S E E CGH - 100 120 -95.3 129.3 179.6 -170.5 20.4 141.4 120 -2.7 120 -2.2 0 0.0 0 0.0 13 56
113 1 113 ILE I E E CGH - 99 119 -125.6 135.2 179.2 -157.9 5.2 170.2 99 -3.1 99 -1.3 0 0.0 0 0.0 14 56
114 1 114 ASP D E E CG > T - 98 0 -108.6 162.3 -179.2 -98.3 37.8 141.5 118 -2.1 117 -2.7 0 0.0 0 0.0 10 47
115 1 115 ALA A T e 3 TS+ 0 0 -50.5 -19.5 179.8 58.4 121.1 51.5 97 -0.8 0 0.0 0 0.0 0 0.0 13 44
116 1 116 ALA A T T 3 TS- 0 0 -97.5 14.0 -180.0 -102.6 121.5 78.4 0 0.0 0 0.0 0 0.0 0 0.0 10 32
117 1 117 GLY G t < T + 0 0 79.7 4.9 178.6 153.2 68.7 57.3 114 -2.7 119 -0.5 0 0.0 0 0.0 14 36
118 1 118 GLY G e - 0 0 -70.5 119.1 -178.8 -173.3 23.3 127.6 0 0.0 114 -2.1 0 0.0 0 0.0 9 36
119 1 119 SER S E E CH + 113 0 -120.0 131.2 179.6 168.5 10.0 166.1 117 -0.5 0 0.0 0 0.0 0 0.0 11 40
120 1 120 VAL V E E CH - 112 0 -147.7 138.0 -178.6 -135.7 25.5 173.8 112 -2.2 112 -2.7 0 0.0 0 0.0 7 39
121 1 121 GLU E E E CH + 111 0 -94.7 134.6 -179.5 165.0 29.2 140.0 0 0.0 0 0.0 0 0.0 0 0.0 8 40
122 1 122 ASP D e - 0 0 -133.3 -178.0 179.5 -109.0 49.5 133.8 110 -1.8 0 0.0 0 0.0 0 0.0 9 41
123 1 123 ILE I S e S- 0 0 -88.8 -19.3 177.9 -11.4 103.0 48.0 0 0.0 7 -2.7 0 0.0 0 0.0 9 43
124 1 124 TYR Y E E AA + 6 0 -168.4 158.2 179.4 177.6 69.7 158.7 0 0.0 0 0.0 0 0.0 0 0.0 9 61
125 1 125 ALA A E E AA - 5 0 -169.7 142.7 179.3 -144.4 14.9 152.9 5 -2.0 5 -2.1 0 0.0 0 0.0 12 60
126 1 126 SER S E E AA - 4 0 -110.2 168.7 -179.1 -163.1 14.6 132.7 0 0.0 0 0.0 0 0.0 0 0.0 12 65
127 1 127 THR T E E AA + 3 0 -153.0 151.3 179.2 29.6 36.7 176.0 3 -2.9 3 -3.0 0 0.0 0 0.0 13 61
128 1 128 GLY G E E AA > TS- 2 0 101.7 -175.3 -179.1 -34.6 98.1 113.8 0 0.0 131 -1.7 0 0.0 0 0.0 11 57
129 1 129 SER S T e 3 TS+ 0 0 -53.5 -40.3 -179.3 45.8 133.4 37.4 1 -1.0 0 0.0 0 0.0 0 0.0 10 50
130 1 130 GLY G T h > > TS+ 0 0 -92.1 11.6 -178.9 114.3 77.7 70.7 1 -1.3 134 -1.6 0 0.0 133 -0.6 17 49
131 1 131 SER S H H > < T + 0 0 -47.6 -52.9 -179.1 57.4 67.6 28.6 128 -1.7 135 -3.5 0 0.0 0 0.0 12 49
132 1 132 PRO P H H > 3 TS+ 0 0 -48.6 -46.2 -179.8 48.6 107.0 33.3 0 0.0 136 -1.3 0 0.0 0 0.0 8 34
133 1 133 PHE F H H > < TS+ 0 0 -64.6 -47.1 178.7 42.8 115.1 19.8 130 -0.6 137 -1.8 0 0.0 0 0.0 11 40
134 1 134 VAL V H H X TS+ 0 0 -65.0 -44.5 179.0 57.4 109.7 17.2 130 -1.6 138 -3.0 0 0.0 0 0.0 14 48
135 1 135 TYR Y H H X TS+ 0 0 -53.0 -29.9 179.3 54.6 106.4 34.6 131 -3.5 139 -2.2 0 0.0 0 0.0 11 43
136 1 136 GLY G H H X TS+ 0 0 -67.9 -64.5 -178.1 38.4 111.0 2.1 132 -1.3 140 -1.4 0 0.0 0 0.0 8 36
137 1 137 VAL V H H X TS+ 0 0 -58.4 -32.2 179.8 52.5 117.7 32.7 133 -1.8 141 -3.1 0 0.0 0 0.0 10 38
138 1 138 LEU L H H X TS+ 0 0 -66.7 -50.3 -180.0 49.9 107.4 12.8 134 -3.0 142 -3.0 0 0.0 0 0.0 10 45
139 1 139 GLU E H H < TS+ 0 0 -58.5 -23.2 -180.0 44.3 118.0 44.3 135 -2.2 0 0.0 0 0.0 0 0.0 7 31
140 1 140 SER S H H < TS+ 0 0 -90.3 -42.9 -175.8 17.5 128.4 29.2 136 -1.4 0 0.0 0 0.0 0 0.0 6 23
141 1 141 GLN Q H H < TS+ 0 0 -114.4 -3.8 -178.6 114.2 88.1 60.4 137 -3.1 0 0.0 0 0.0 0 0.0 7 31
142 1 142 TYR Y h < T + 0 0 -76.5 138.7 178.8 173.6 34.1 121.2 138 -3.0 0 0.0 0 0.0 0 0.0 9 39
143 1 143 SER S t > T - 0 0 -145.2 125.4 179.3 -139.1 35.6 165.4 0 0.0 146 -1.9 0 0.0 0 0.0 5 34
144 1 144 GLU E T T 3 TS+ 0 0 -58.5 -8.7 179.4 69.8 101.2 53.7 0 0.0 9 -0.7 0 0.0 0 0.0 7 33
145 1 145 LYS K T T 3 TS+ 0 0 -94.9 16.0 -179.9 115.5 77.0 78.1 0 0.0 0 0.0 0 0.0 0 0.0 6 22
146 1 146 MET M t < T - 0 0 -83.6 161.3 179.5 -122.0 63.4 114.4 143 -1.9 0 0.0 0 0.0 0 0.0 11 28
147 1 147 THR T h > T - 0 0 -95.0 168.2 179.0 -103.1 31.3 122.6 0 0.0 151 -2.7 0 0.0 0 0.0 8 26
148 1 148 VAL V H H > TS+ 0 0 -60.5 -27.9 -179.2 52.2 123.7 36.0 0 0.0 152 -2.1 0 0.0 0 0.0 10 43
149 1 149 ASP D H H > TS+ 0 0 -77.5 -44.7 177.9 46.3 108.2 23.0 0 0.0 153 -1.4 0 0.0 0 0.0 7 40
150 1 150 GLU E H H > TS+ 0 0 -61.3 -43.3 179.1 54.7 113.0 19.1 0 0.0 154 -2.7 0 0.0 0 0.0 8 37
151 1 151 GLY G H H X TS+ 0 0 -53.7 -58.1 179.9 54.0 101.6 19.0 147 -2.7 155 -3.0 0 0.0 0 0.0 10 51
152 1 152 VAL V H H X TS+ 0 0 -48.7 -36.7 178.1 46.2 112.5 31.8 148 -2.1 156 -1.9 0 0.0 0 0.0 11 61
153 1 153 ASP D H H X TS+ 0 0 -70.6 -51.5 -179.9 52.4 110.2 11.1 149 -1.4 157 -3.2 0 0.0 0 0.0 9 53
154 1 154 LEU L H H X TS+ 0 0 -46.7 -51.7 -179.6 48.2 110.8 23.4 150 -2.7 158 -3.0 0 0.0 0 0.0 11 57
155 1 155 VAL V H H X TS+ 0 0 -56.9 -46.6 179.5 50.4 110.9 22.8 151 -3.0 159 -2.5 0 0.0 0 0.0 11 69
156 1 156 ILE I H H X TS+ 0 0 -57.9 -47.5 179.6 47.1 112.5 20.3 152 -1.9 160 -2.6 0 0.0 0 0.0 11 65
157 1 157 ARG R H H X TS+ 0 0 -58.0 -57.7 179.9 51.4 110.5 11.3 153 -3.2 161 -2.9 0 0.0 0 0.0 9 59
158 1 158 ALA A H H X TS+ 0 0 -44.7 -57.0 -179.6 44.5 113.0 25.6 154 -3.0 162 -2.2 0 0.0 0 0.0 13 61
159 1 159 ILE I H H X TS+ 0 0 -58.5 -41.4 179.2 55.9 110.3 26.6 155 -2.5 163 -2.4 0 0.0 0 0.0 15 69
160 1 160 SER S H H X TS+ 0 0 -57.8 -43.5 179.5 50.3 106.7 16.9 156 -2.6 164 -1.3 0 0.0 0 0.0 11 56
161 1 161 ALA A H H X > TS+ 0 0 -57.6 -52.3 -178.5 50.9 108.8 17.3 157 -2.9 164 -1.6 0 0.0 165 -1.5 10 48
162 1 162 ALA A H H X 3 TS+ 0 0 -54.5 -37.1 179.4 59.4 103.9 32.0 158 -2.2 166 -1.2 0 0.0 0 0.0 15 47
163 1 163 LYS K H H < 3 TS+ 0 0 -62.2 -30.4 179.4 52.7 104.2 35.1 159 -2.4 0 0.0 0 0.0 0 0.0 12 48
164 1 164 GLN Q H H < < TS+ 0 0 -71.6 -46.4 -178.4 32.2 118.1 24.2 161 -1.6 0 0.0 160 -1.3 0 0.0 7 33
165 1 165 ARG R H H < TS+ 0 0 -95.7 4.7 -179.5 65.8 113.0 65.4 161 -1.5 0 0.0 0 0.0 0 0.0 8 30
166 1 166 ASP D h < > T - 0 0 -135.7 108.1 -179.4 -169.5 53.2 147.1 162 -1.2 169 -2.1 0 0.0 0 0.0 9 38
167 1 167 SER S T T 3 TS+ 0 0 -64.5 -19.0 -179.4 65.2 87.4 52.5 0 0.0 0 0.0 0 0.0 0 0.0 8 34
168 1 168 ALA A T T 3 TS+ 0 0 -83.0 -9.2 179.7 64.7 96.8 55.1 0 0.0 0 0.0 0 0.0 0 0.0 14 45
169 1 169 SER S t < T + 0 0 -113.8 150.8 179.1 107.8 66.8 151.3 166 -2.1 0 0.0 0 0.0 0 0.0 15 55
170 1 170 GLY G + 0 0 170.6 -176.7 -179.3 78.1 20.6 172.6 0 0.0 18 -1.9 0 0.0 19 -0.6 12 53
171 1 171 GLY G S S S- 0 0 84.6 -169.3 179.5 -10.3 88.1 108.6 0 0.0 0 0.0 0 0.0 0 0.0 10 45
172 1 172 MET M - 0 0 -63.7 131.7 177.3 -138.8 66.1 112.5 0 0.0 0 0.0 0 0.0 0 0.0 9 49
173 1 173 ILE I - 0 0 -93.4 130.4 178.9 -167.8 23.5 147.4 0 0.0 0 0.0 0 0.0 0 0.0 13 62
174 1 174 ASP D E E AC - 16 0 -125.3 144.8 -177.5 -165.5 4.7 164.9 16 -2.5 16 -2.0 0 0.0 0 0.0 11 60
175 1 175 VAL V E E AC - 15 0 -129.1 153.1 178.3 -164.7 10.7 154.6 0 0.0 187 -1.6 0 0.0 0 0.0 13 65
176 1 176 ALA A E E ACI - 14 186 -133.5 132.9 178.2 -157.2 10.8 172.8 14 -2.6 14 -2.5 0 0.0 0 0.0 12 63
177 1 177 VAL V E E ACI - 13 185 -113.2 132.9 -179.2 -159.0 8.2 162.3 185 -2.7 185 -2.2 0 0.0 179 -0.5 14 62
178 1 178 ILE I E E ACI + 12 184 -121.2 128.4 -179.8 158.7 19.3 163.8 12 -3.1 12 -1.8 0 0.0 0 0.0 15 54
179 1 179 THR T E E >ACI T - 11 183 -139.4 157.4 -178.7 -118.1 47.3 164.1 183 -1.9 183 -2.8 177 -0.5 0 0.0 12 43
180 1 180 ARG R T e 4 TS+ 0 0 -62.6 -44.5 -179.0 57.3 110.1 20.0 10 -0.6 0 0.0 0 0.0 0 0.0 10 34
181 1 181 LYS K T T 4 TS+ 0 0 -51.7 -58.6 -178.0 11.3 128.1 22.2 0 0.0 0 0.0 0 0.0 0 0.0 4 23
182 1 182 ASP D T T 4 TS- 0 0 -98.1 -20.4 -177.6 -143.5 98.3 46.6 0 0.0 0 0.0 0 0.0 0 0.0 7 26
183 1 183 GLY G E E T - 0 0 -64.6 134.5 179.5 -124.0 26.8 113.1 0 0.0 192 -2.4 0 0.0 0 0.0 6 25
189 1 189 THR T H H > TS+ 0 0 -43.1 -54.6 -179.4 49.8 110.8 27.4 0 0.0 193 -2.7 0 0.0 0 0.0 7 30
190 1 190 ASP D H H > TS+ 0 0 -54.9 -47.4 -179.6 52.4 108.4 23.4 0 0.0 194 -2.7 0 0.0 0 0.0 6 22
191 1 191 GLN Q H H > TS+ 0 0 -57.9 -41.4 179.5 49.0 111.1 23.7 0 0.0 195 -2.0 0 0.0 0 0.0 8 28
192 1 192 ILE I H H X > TS+ 0 0 -62.9 -58.7 -179.2 44.7 112.3 7.2 188 -2.4 196 -1.9 0 0.0 195 -0.7 12 44
193 1 193 GLU E H H X 3 TS+ 0 0 -56.9 -28.6 178.3 59.8 109.2 33.9 189 -2.7 197 -2.6 0 0.0 0 0.0 9 35
194 1 194 SER S H H X 3 TS+ 0 0 -64.3 -46.8 178.5 47.8 104.2 23.0 190 -2.7 198 -3.0 0 0.0 0 0.0 8 26
195 1 195 ARG R H H X < TS+ 0 0 -60.7 -36.7 179.0 54.9 110.3 28.1 191 -2.0 199 -2.8 192 -0.7 0 0.0 9 34
196 1 196 ILE I H H X >TS+ 0 0 -57.2 -59.9 178.8 43.0 110.9 12.9 192 -1.9 201 -2.3 0 0.0 200 -0.7 12 38
197 1 197 ARG R H H < >5TS+ 0 0 -49.6 -57.3 179.8 51.5 114.9 14.0 193 -2.6 200 -2.3 0 0.0 0 0.0 9 22
198 1 198 LYS K H H < 35TS+ 0 0 -49.2 -43.7 -178.9 49.8 109.4 33.2 194 -3.0 0 0.0 0 0.0 0 0.0 7 21
199 1 199 LEU L H H < 35TS- 0 0 -76.5 -8.0 -179.9 -117.3 112.9 58.4 195 -2.8 0 0.0 0 0.0 0 0.0 6 26
200 1 200 GLY G T h < <5TS+ 0 0 77.5 22.0 179.4 134.2 71.2 42.2 197 -2.3 0 0.0 196 -0.7 0 0.0 6 20
201 1 201 LEU L t 33< >33< >33< >33< >>3X<3< 3-turns
bridge-2 BBBBBB CCCCCC FFFF GGG bridge-2
bridge-1 AAAAA BBBBBB D*D D**D EEE*E EEEE A A F bridge-1
sheets AAAAAAA AAAAAA BBB BBBB CCCCC CCCC CCC sheets
4-turns >>>>XXXXXXXXXXXXXXXX<<<< >>>>XXXXXXX<<<< 4-turns
summary eEEEEEEETeEEEEEEe EEETTEEEES eEEEEETeEEEEe BhHHHHHHHHHHHHHHHHHHHHHHhS hHHHHHHHHHHHHHhTTTt eEEE summary
sequence TTTVGITLKDAVIMATERRVTMENFIMHKNGKKLFQIDTYTGMTIAGLVGDAQVLVRYMKAELELYRLQRRVNMPIEAVATLLSNMLNQVKYMPYMVQLL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEESSSEEEEEEETT EEE SEEEEETTHHHHHHHHHHH TT HHHHHHHHHHHHHHHHHH TT S EEEEEETTTEEEE HHHHHHHHHHHT Kabs/Sand
chirality ++-+---+------+-+-+-+--+--+-++++++++++++++-++--++++++++++++++++++-++++-------+-++--+----++++++++++-+ chirality
bends SSS SS S SSS SSSSSSSSSS SS SSSSSSSSSSSSSSSSSS SS S SSS S SSSSSSSSSSSS bends
turns TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTT TTTTTTTTTTTTT turns
5-turns >5555 5-turns
3-turns >33< >3><3< >33< >33< >33< >33< >33< 3-turns
bridge-2 GGGG HHH IIII bridge-2
bridge-1 FFF GGGGGGG HHH AAAAA CCCCCC IIII bridge-1
sheets CCCC CCCCCCC CCC AAAAA AAAAAA AAAA sheets
4-turns >>>>XXXXX<<<< >>>>XXXXXXXXXXXX<<<< >444< >>>>XXXXX<<<< 4-turns
summary EEEEeSeEEEEEEEeTteEEEeeEEEEEehHHHHHHHHHHHhtTTthHHHHHHHHHHHHHHHHHHhTTt S EEEEEEeTTEEEEehHHHHHHHHHHHh summary
sequence VGGIDTAPHVFSIDAAGGSVEDIYASTGSGSPFVYGVLESQYSEKMTVDEGVDLVIRAISAAKQRDSASGGMIDVAVITRKDGYVQLPTDQIESRIRKLG sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand Kabs/Sand
chirality - chirality
bends bends
turns T turns
5-turns < 5-turns
3-turns 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns 4-turns
summary t summary
sequence LIL sequence