Secondary structure calculation program - copyright by David Keith Smith, 1989
1qntA.pdb
1QNT DNA REPAIR MOL_ID: 1; MOL_ID: 1;
Sequence length - 166
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 6 GLU E 0 0 999.9 -35.8 -179.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 21
2 A 7 MET M - 0 0 -79.5 125.9 179.3 -171.5 999.9 127.1 0 0.0 0 0.0 0 0.0 0 0.0 6 29
3 A 8 LYS K E E AA - 18 0 -116.3 150.2 -179.7 -164.1 1.4 150.4 18 -3.0 18 -2.1 0 0.0 0 0.0 9 36
4 A 9 ARG R E E AA + 17 0 -136.0 155.6 178.0 164.1 14.2 161.7 0 0.0 0 0.0 0 0.0 0 0.0 8 41
5 A 10 THR T E E AA - 16 0 -157.8 162.7 179.5 -126.0 26.4 162.9 16 -1.9 16 -3.0 0 0.0 0 0.0 10 41
6 A 11 THR T E E AA - 15 0 -117.7 158.8 -178.8 -164.5 14.8 146.4 0 0.0 41 -2.5 0 0.0 0 0.0 11 44
7 A 12 LEU L E E AA - 14 0 -146.1 123.2 178.4 -134.8 16.2 164.6 14 -2.3 14 -2.6 0 0.0 0 0.0 13 49
8 A 13 ASP D + 0 0 -75.3 148.2 -178.6 159.6 36.9 119.4 0 0.0 0 0.0 0 0.0 0 0.0 14 40
9 A 14 SER S t > T - 0 0 -156.2 177.8 179.6 -83.8 57.9 156.2 0 0.0 12 -1.8 0 0.0 34 -1.3 14 45
10 A 15 PRO P T T 3 TS+ 0 0 -66.6 -12.8 180.0 51.8 128.6 49.7 0 0.0 0 0.0 0 0.0 0 0.0 9 43
11 A 16 LEU L T T 3 TS- 0 0 -105.6 11.6 -178.8 -100.3 122.7 76.8 0 0.0 0 0.0 0 0.0 0 0.0 13 44
12 A 17 GLY G S t < TS- 0 0 98.3 -175.7 -178.8 -15.6 70.7 116.5 9 -1.8 0 0.0 0 0.0 0 0.0 13 39
13 A 18 LYS K e - 0 0 -67.2 135.0 179.3 -156.5 60.7 112.9 0 0.0 29 -2.6 0 0.0 30 -0.7 13 39
14 A 19 LEU L E E AAB - 7 28 -114.3 135.8 178.6 -148.5 4.7 158.8 7 -2.6 7 -2.3 0 0.0 16 -0.6 14 50
15 A 20 GLU E E E AAB - 6 27 -106.5 120.8 -179.2 -165.9 15.8 156.8 27 -2.9 27 -2.5 0 0.0 0 0.0 13 48
16 A 21 LEU L E E AAB + 5 26 -109.0 136.7 179.5 178.9 8.0 152.2 5 -3.0 5 -1.9 14 -0.6 0 0.0 13 58
17 A 22 SER S E E AAB + 4 25 -138.2 143.9 -180.0 122.2 15.5 173.8 25 -2.0 24 -2.6 0 0.0 25 -1.9 13 48
18 A 23 GLY G E E AAB - 3 23 -178.2 177.6 179.9 -134.3 34.1 169.9 3 -2.1 3 -3.0 0 0.0 0 0.0 16 43
19 A 24 CYS C E E A B> T - 0 22 -137.5 -175.1 -179.5 -77.5 49.9 137.6 22 -2.2 22 -1.4 0 0.0 0 0.0 15 32
20 A 25 GLU E T T 3 TS+ 0 0 -60.4 -29.1 -179.4 58.2 127.1 35.6 0 0.0 0 0.0 0 0.0 0 0.0 8 27
21 A 26 GLN Q T T 3 TS- 0 0 -76.7 -15.2 179.3 -65.3 122.3 49.3 0 0.0 0 0.0 0 0.0 0 0.0 9 29
22 A 27 GLY G E E AB < T - 19 0 149.9 167.9 179.1 -49.6 62.2 143.4 19 -1.4 19 -2.2 0 0.0 0 0.0 14 37
23 A 28 LEU L E E ABa - 18 74 -69.7 134.5 -178.7 -174.5 41.0 119.7 73 -3.0 75 -2.8 0 0.0 0 0.0 15 50
24 A 29 HIS H E E A* - 0 0 -99.4 -47.3 -177.5 -6.6 55.4 30.6 17 -2.6 0 0.0 0 0.0 0 0.0 13 47
25 A 30 GLU E E E AB - 17 0 -158.1 148.9 176.4 -155.8 38.2 176.4 17 -1.9 17 -2.0 0 0.0 0 0.0 11 52
26 A 31 ILE I E E AB - 16 0 -122.4 115.5 -178.4 -171.3 27.5 171.0 128 -2.6 0 0.0 0 0.0 0 0.0 11 59
27 A 32 LYS K E E AB - 15 0 -118.2 132.0 178.3 -141.8 20.9 159.3 15 -2.5 15 -2.9 0 0.0 29 -0.7 10 47
28 A 33 LEU L E E AB + 14 0 -88.2 115.3 -177.7 179.6 22.3 143.3 0 0.0 0 0.0 0 0.0 0 0.0 11 46
29 A 34 LEU L e + 0 0 -90.5 -30.2 -179.0 30.4 61.8 38.9 13 -2.6 0 0.0 27 -0.7 0 0.0 8 31
30 A 35 GLY G 0 0 -140.8 104.6 179.4 999.9 999.9 145.5 13 -0.7 0 0.0 0 0.0 0 0.0 9 24
31!A 36 LYS K 0 0 -104.3 999.9 999.9 999.9 999.9 40.3 0 0.0 0 0.0 0 0.0 0 0.0 8 29
32!A 42 ASP D 0 0 999.9 -176.3 -177.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 23
33 A 43 ALA A - 0 0 -90.8 177.1 179.2 -162.8 999.9 102.0 0 0.0 0 0.0 0 0.0 0 0.0 11 26
34 A 44 VAL V - 0 0 -158.2 139.9 -178.9 -149.5 16.7 163.4 9 -1.3 0 0.0 0 0.0 0 0.0 9 25
35 A 45 GLU E S S S+ 0 0 -88.6 -15.1 179.9 98.9 70.6 51.0 0 0.0 0 0.0 0 0.0 0 0.0 6 27
36 A 46 VAL V S S S- 0 0 -77.7 125.8 -180.0 -107.4 85.7 127.6 0 0.0 0 0.0 0 0.0 0 0.0 6 22
37 A 47 PRO P - 0 0 -53.7 129.1 -178.5 -167.7 43.5 105.0 0 0.0 0 0.0 0 0.0 0 0.0 8 28
38 A 48 ALA A - 0 0 -125.0 153.2 179.3 -128.9 16.4 152.6 0 0.0 0 0.0 0 0.0 0 0.0 8 34
39 A 49 PRO P - 0 0 -92.3 164.9 179.1 -86.7 42.1 120.1 0 0.0 0 0.0 0 0.0 0 0.0 7 36
40 A 50 ALA A - 0 0 -69.9 150.9 -179.5 -118.8 35.5 113.7 0 0.0 0 0.0 0 0.0 0 0.0 10 41
41 A 51 ALA A S S S+ 0 0 -55.9 -45.0 179.3 30.8 106.0 25.1 6 -2.5 43 -0.5 0 0.0 0 0.0 7 27
42 A 52 VAL V S S S- 0 0 -119.5 118.9 -179.2 -142.8 87.7 167.3 0 0.0 0 0.0 0 0.0 0 0.0 6 28
43 A 53 LEU L + 0 0 -78.3 163.1 179.8 12.7 61.1 108.7 41 -0.5 0 0.0 0 0.0 0 0.0 7 27
44 A 54 GLY G + 0 0 73.6 -154.2 -179.4 140.7 63.9 109.8 0 0.0 0 0.0 0 0.0 0 0.0 7 28
45 A 55 GLY G - 0 0 108.0 -172.1 179.8 -6.4 62.9 127.8 0 0.0 0 0.0 0 0.0 0 0.0 7 33
46 A 56 PRO P S h > > TS- 0 0 -54.3 147.1 -179.5 -111.5 74.9 101.8 0 0.0 50 -1.6 0 0.0 49 -1.1 11 32
47 A 57 GLU E H H > 3 TS+ 0 0 -49.6 -46.6 180.0 56.5 116.7 28.3 0 0.0 51 -2.2 0 0.0 0 0.0 10 35
48 A 58 PRO P H H > 3 TS+ 0 0 -57.3 -32.4 179.6 52.1 106.1 32.6 0 0.0 52 -1.5 0 0.0 0 0.0 15 41
49 A 59 LEU L H H > < TS+ 0 0 -70.3 -43.3 179.6 48.1 109.0 24.3 46 -1.1 53 -2.1 0 0.0 0 0.0 16 49
50 A 60 MET M H H X TS+ 0 0 -65.7 -35.0 179.8 50.8 111.6 30.8 46 -1.6 54 -1.9 0 0.0 0 0.0 11 46
51 A 61 GLN Q H H X TS+ 0 0 -71.0 -33.4 179.4 52.3 108.9 30.9 47 -2.2 55 -2.3 0 0.0 0 0.0 11 47
52 A 62 CYS C H H X TS+ 0 0 -68.6 -42.0 179.5 48.4 109.0 24.8 48 -1.5 56 -2.8 0 0.0 0 0.0 11 61
53 A 63 THR T H H X TS+ 0 0 -65.7 -38.2 179.2 48.1 113.2 24.6 49 -2.1 57 -2.0 0 0.0 0 0.0 10 58
54 A 64 ALA A H H X TS+ 0 0 -67.3 -39.5 -179.6 49.9 112.6 25.3 50 -1.9 58 -1.9 0 0.0 0 0.0 9 46
55 A 65 TRP W H H X TS+ 0 0 -63.9 -51.4 -180.0 45.8 111.8 18.9 51 -2.3 59 -2.8 0 0.0 0 0.0 12 48
56 A 66 LEU L H H X TS+ 0 0 -61.2 -39.7 178.8 54.3 110.2 28.0 52 -2.8 60 -2.3 0 0.0 0 0.0 9 58
57 A 67 ASN N H H X TS+ 0 0 -60.0 -44.4 179.4 43.8 112.7 21.4 53 -2.0 61 -2.9 0 0.0 0 0.0 11 47
58 A 68 ALA A H H X TS+ 0 0 -66.8 -42.0 -179.5 57.3 109.2 24.8 54 -1.9 62 -2.2 0 0.0 0 0.0 12 38
59 A 69 TYR Y H H < TS+ 0 0 -55.0 -47.2 -178.7 29.6 119.5 21.6 55 -2.8 0 0.0 0 0.0 0 0.0 9 50
60 A 70 PHE F H H < TS+ 0 0 -82.2 -38.5 -174.5 23.2 135.8 29.6 56 -2.3 0 0.0 0 0.0 0 0.0 9 47
61 A 71 HIS H H H < TS+ 0 0 -112.4 -8.8 176.8 28.3 131.4 56.6 57 -2.9 0 0.0 0 0.0 0 0.0 7 34
62 A 72 GLN Q h < > T + 0 0 -144.4 52.5 -179.2 153.6 66.2 107.6 58 -2.2 65 -2.2 0 0.0 0 0.0 9 27
63 A 73 PRO P G G > T + 0 0 -54.7 -31.3 179.6 73.2 64.4 38.2 0 0.0 66 -1.9 0 0.0 0 0.0 8 33
64 A 74 GLU E G G 3 TS+ 0 0 -56.4 -23.8 -179.2 37.0 107.0 38.6 0 0.0 0 0.0 0 0.0 0 0.0 5 20
65 A 75 ALA A G G X TS+ 0 0 -113.7 15.6 -177.8 111.7 81.9 76.6 62 -2.2 68 -1.5 0 0.0 0 0.0 8 22
66 A 76 ILE I G G X TS+ 0 0 -58.5 -40.2 -179.5 60.1 71.5 30.8 63 -1.9 69 -1.7 0 0.0 0 0.0 11 35
67 A 77 GLU E G G 3 TS+ 0 0 -62.6 -16.1 -179.0 62.6 99.3 45.2 0 0.0 0 0.0 0 0.0 0 0.0 8 33
68 A 78 GLU E G G < TS+ 0 0 -84.8 -14.5 179.9 88.0 84.4 51.0 65 -1.5 0 0.0 0 0.0 0 0.0 5 24
69 A 79 PHE F S g < TS- 0 0 -90.8 131.6 -179.6 -120.1 79.9 136.5 66 -1.7 0 0.0 0 0.0 0 0.0 9 33
70 A 80 PRO P - 0 0 -72.0 138.8 178.0 -127.8 16.4 114.5 0 0.0 0 0.0 0 0.0 0 0.0 7 32
71 A 81 VAL V - 0 0 -82.3 130.0 -179.9 -120.1 35.0 135.6 0 0.0 0 0.0 0 0.0 0 0.0 8 48
72 A 82 PRO P - 0 0 -69.5 162.8 177.4 -88.2 31.5 103.2 0 0.0 0 0.0 0 0.0 0 0.0 10 46
73 A 83 ALA A - 0 0 -64.6 148.2 -179.5 -132.0 48.2 113.9 0 0.0 23 -3.0 0 0.0 0 0.0 8 40
74 A 84 LEU L B B a - 23 0 -111.4 139.5 -179.7 -174.0 22.2 152.4 0 0.0 0 0.0 0 0.0 0 0.0 10 45
75 A 85 HIS H + 0 0 -134.7 97.0 -179.0 118.5 35.1 148.2 23 -2.8 0 0.0 0 0.0 0 0.0 12 41
76 A 86 HIS H h > > T - 0 0 -155.3 144.6 -179.9 -111.5 69.7 166.8 0 0.0 79 -2.1 0 0.0 80 -0.8 10 38
77 A 87 PRO P H H > > TS+ 0 0 -51.5 -30.8 -179.4 66.8 113.4 36.1 0 0.0 81 -0.9 0 0.0 80 -0.7 6 30
78 A 88 VAL V H H 4 3 TS+ 0 0 -62.4 -25.5 -180.0 39.7 108.3 36.3 0 0.0 0 0.0 0 0.0 0 0.0 8 33
79 A 89 PHE F H H 4 < TS+ 0 0 -98.5 -8.4 -178.5 70.3 103.7 58.2 76 -2.1 0 0.0 0 0.0 0 0.0 9 34
80 A 90 GLN Q H H < < TS+ 0 0 -83.7 -19.0 179.2 42.5 100.4 46.6 76 -0.8 0 0.0 77 -0.7 0 0.0 7 24
81 A 91 GLN Q S h < TS- 0 0 -129.6 154.3 -179.9 -99.2 90.3 158.5 77 -0.9 0 0.0 0 0.0 0 0.0 7 17
82 A 92 GLU E + 0 0 -71.8 131.9 179.1 138.5 56.9 119.7 0 0.0 0 0.0 0 0.0 0 0.0 7 20
83 A 93 SER S h > T - 0 0 -164.2 163.1 179.3 -106.4 65.1 165.2 0 0.0 87 -2.1 0 0.0 0 0.0 6 27
84 A 94 PHE F H H > TS+ 0 0 -64.7 -36.6 180.0 58.0 120.6 27.0 0 0.0 88 -2.5 0 0.0 0 0.0 8 37
85 A 95 THR T H H > TS+ 0 0 -59.2 -44.8 179.8 47.0 106.1 23.8 0 0.0 89 -2.7 0 0.0 0 0.0 11 43
86 A 96 ARG R H H > TS+ 0 0 -63.7 -44.8 179.7 52.2 111.0 21.0 0 0.0 90 -2.8 0 0.0 0 0.0 11 40
87 A 97 GLN Q H H X TS+ 0 0 -55.1 -47.0 -179.2 44.9 113.2 23.7 83 -2.1 91 -1.9 0 0.0 0 0.0 10 40
88 A 98 VAL V H H X TS+ 0 0 -65.4 -46.4 180.0 47.9 113.5 24.1 84 -2.5 92 -2.3 0 0.0 0 0.0 13 53
89 A 99 LEU L H H X TS+ 0 0 -64.2 -40.9 179.5 47.8 113.7 25.9 85 -2.7 93 -2.2 0 0.0 0 0.0 12 58
90 A 100 TRP W H H X TS+ 0 0 -68.6 -37.5 179.2 49.2 111.7 29.3 86 -2.8 94 -2.2 0 0.0 0 0.0 8 47
91 A 101 LYS K H H X TS+ 0 0 -66.7 -42.2 179.6 50.2 111.4 23.3 87 -1.9 95 -2.9 0 0.0 0 0.0 11 44
92 A 102 LEU L H H X TS+ 0 0 -60.0 -47.9 179.7 48.3 111.3 20.8 88 -2.3 96 -1.6 0 0.0 0 0.0 12 51
93 A 103 LEU L H H < TS+ 0 0 -60.2 -41.8 -178.4 42.4 117.2 26.4 89 -2.2 0 0.0 0 0.0 0 0.0 10 47
94 A 104 LYS K H H < TS+ 0 0 -72.8 -45.7 -175.1 31.6 122.9 22.4 90 -2.2 0 0.0 0 0.0 0 0.0 6 33
95 A 105 VAL V H H < TS+ 0 0 -85.4 -43.4 -175.3 77.6 95.4 29.7 91 -2.9 97 -0.7 0 0.0 0 0.0 6 32
96 A 106 VAL V h < T - 0 0 -85.6 112.4 -178.9 -163.2 60.7 130.2 92 -1.6 0 0.0 0 0.0 0 0.0 11 37
97 A 107 LYS K t > T - 0 0 -85.1 171.8 178.8 -70.7 37.0 104.3 95 -0.7 100 -1.8 0 0.0 0 0.0 6 40
98 A 108 PHE F T T 3 TS+ 0 0 -62.2 128.4 179.7 18.5 122.4 114.0 0 0.0 0 0.0 0 0.0 0 0.0 7 44
99 A 109 GLY G T T 3 TS+ 0 0 93.3 -12.0 -179.8 107.6 103.6 73.8 0 0.0 0 0.0 0 0.0 0 0.0 8 40
100 A 110 GLU E t < T - 0 0 -100.4 151.2 177.5 -161.6 49.4 134.0 97 -1.8 0 0.0 0 0.0 0 0.0 7 40
101 A 111 VAL V - 0 0 -129.4 157.5 -179.2 -163.7 2.0 157.4 0 0.0 0 0.0 0 0.0 0 0.0 8 46
102 A 112 ILE I E E Bc - 138 0 -139.4 145.3 180.0 -118.6 21.2 170.1 137 -2.5 139 -2.5 0 0.0 0 0.0 10 46
103 A 113 SER S E E >Bc T - 139 0 -83.5 161.5 178.4 -113.8 26.2 115.6 0 0.0 107 -2.3 0 0.0 0 0.0 10 47
104 A 114 TYR Y H H > TS+ 0 0 -57.2 -38.5 -179.9 51.0 120.6 27.5 139 -1.2 108 -1.8 0 0.0 0 0.0 14 49
105 A 115 GLN Q H H > TS+ 0 0 -66.6 -43.1 179.3 49.6 108.0 28.5 0 0.0 109 -2.1 0 0.0 0 0.0 11 37
106 A 116 GLN Q H H > TS+ 0 0 -65.3 -39.7 -179.8 48.4 111.9 28.4 0 0.0 110 -2.3 0 0.0 0 0.0 9 36
107 A 117 LEU L H H X TS+ 0 0 -69.5 -36.2 179.2 51.8 110.3 27.9 103 -2.3 111 -1.7 0 0.0 0 0.0 15 47
108 A 118 ALA A H H < >TS+ 0 0 -64.6 -41.9 179.7 48.0 111.1 24.0 104 -1.8 113 -2.5 0 0.0 0 0.0 15 42
109 A 119 ALA A H H < >5TS+ 0 0 -65.0 -42.5 179.6 52.8 109.0 24.4 105 -2.1 112 -1.9 0 0.0 0 0.0 11 31
110 A 120 LEU L H H < 35TS+ 0 0 -62.0 -31.8 -179.7 55.8 105.9 32.6 106 -2.3 0 0.0 0 0.0 0 0.0 9 34
111 A 121 ALA A T h < 35TS- 0 0 -84.4 10.5 178.0 -98.6 127.6 74.4 107 -1.7 0 0.0 0 0.0 0 0.0 11 38
112 A 122 GLY G T T <5TS+ 0 0 88.7 6.5 179.1 81.8 101.0 57.2 109 -1.9 0 0.0 0 0.0 0 0.0 6 27
113 A 123 ASN N t > < T + 0 0 -97.2 36.1 -179.8 125.7 44.2 94.3 113 -2.1 120 -1.6 0 0.0 0 0.0 10 29
117 A 127 ALA A H H > TS+ 0 0 -61.2 -31.8 -179.7 54.1 75.0 34.8 0 0.0 121 -1.7 0 0.0 0 0.0 11 37
118 A 128 ARG R H H > TS+ 0 0 -68.4 -42.9 -179.9 48.3 108.2 23.8 0 0.0 122 -1.9 0 0.0 0 0.0 7 32
119 A 129 ALA A H H > TS+ 0 0 -67.8 -28.3 178.5 56.1 107.8 39.1 0 0.0 123 -2.0 0 0.0 0 0.0 7 35
120 A 130 VAL V H H X TS+ 0 0 -69.4 -41.4 179.0 49.3 106.9 25.0 116 -1.6 124 -1.4 0 0.0 0 0.0 13 49
121 A 131 GLY G H H X TS+ 0 0 -62.8 -39.9 179.3 49.1 112.0 25.6 117 -1.7 125 -0.6 0 0.0 0 0.0 9 47
122 A 132 GLY G H H < > TS+ 0 0 -67.1 -35.5 -179.8 59.0 104.6 30.3 118 -1.9 125 -0.9 0 0.0 0 0.0 8 38
123 A 133 ALA A H H < > TS+ 0 0 -63.7 -31.3 -180.0 67.2 92.5 35.8 119 -2.0 126 -1.4 0 0.0 0 0.0 12 48
124 A 134 MET M H H < > TS+ 0 0 -58.9 -32.4 -179.8 63.8 91.3 32.7 120 -1.4 127 -1.7 0 0.0 0 0.0 11 54
125 A 135 ARG R T h < < TS+ 0 0 -62.4 -27.1 -178.9 55.5 98.6 38.4 122 -0.9 0 0.0 121 -0.6 0 0.0 7 41
126 A 136 GLY G T T < TS+ 0 0 -90.5 8.7 -179.8 123.1 73.4 70.6 123 -1.4 0 0.0 0 0.0 0 0.0 8 45
127 A 137 ASN N t < T - 0 0 -73.5 114.5 -179.9 -172.6 39.2 126.2 124 -1.7 0 0.0 0 0.0 0 0.0 10 48
128 A 138 PRO P S S S+ 0 0 -81.8 -14.4 -179.8 51.2 77.9 50.0 0 0.0 26 -2.6 0 0.0 0 0.0 9 48
129 A 139 VAL V S t > TS- 0 0 -125.8 74.6 179.5 -169.0 77.1 127.7 0 0.0 133 -2.4 0 0.0 0 0.0 10 55
130 A 140 PRO P B B 4 b TS+ 133 0 -57.3 157.4 -179.6 14.7 71.6 98.0 0 0.0 132 -2.6 0 0.0 0 0.0 11 60
131 A 141 ILE I T T 4 TS+ 0 0 73.0 -58.4 179.2 64.1 121.4 111.7 133 -0.5 0 0.0 0 0.0 0 0.0 7 72
132 A 142 LEU L T T 4 TS+ 0 0 -58.2 -51.2 173.4 36.9 111.1 22.4 130 -2.6 0 0.0 0 0.0 0 0.0 8 65
133 A 143 ILE I B B < b TS- 130 0 -100.5 107.8 -178.2 -132.7 106.7 162.8 129 -2.4 135 -2.1 0 0.0 131 -0.5 10 63
134 A 144 PRO P g > T + 0 0 -66.0 63.6 179.3 152.9 48.9 110.6 0 0.0 137 -1.9 0 0.0 0 0.0 11 64
135 A 145 CYS C G G > TS+ 0 0 -66.1 -17.9 178.7 69.5 70.7 44.7 133 -2.1 138 -1.3 0 0.0 0 0.0 11 64
136 A 146 HIS H G G 3 TS+ 0 0 -71.9 -17.0 179.4 63.4 89.3 45.9 0 0.0 0 0.0 0 0.0 0 0.0 11 62
137 A 147 ARG R G e < TS+ 0 0 -86.0 0.3 179.3 94.9 79.4 63.9 134 -1.9 102 -2.5 0 0.0 139 -0.8 10 63
138 A 148 VAL V E E Bc < T + 102 0 -95.8 112.6 -176.2 157.8 59.0 147.8 135 -1.3 0 0.0 0 0.0 0 0.0 13 67
139 A 149 VAL V E E Bc - 103 0 -127.9 -178.3 179.7 -73.2 42.3 129.5 102 -2.5 104 -1.2 137 -0.8 0 0.0 13 49
140 A 150 CYS C t > T - 0 0 -79.9 144.2 179.0 -132.5 30.1 122.7 144 -2.2 143 -1.6 0 0.0 0 0.0 10 33
141 A 151 SER S T T 3 TS+ 0 0 -68.4 -14.0 179.3 67.7 106.8 47.3 0 0.0 0 0.0 0 0.0 0 0.0 8 25
142 A 152 SER S T T 3 TS- 0 0 -77.6 -17.0 -178.6 -105.0 122.0 49.6 0 0.0 0 0.0 0 0.0 0 0.0 4 16
143 A 153 GLY G S t < TS+ 0 0 110.5 -16.9 179.1 131.2 80.7 80.5 140 -1.6 0 0.0 0 0.0 0 0.0 6 25
144 A 154 ALA A - 0 0 -67.0 146.3 -178.3 -128.3 62.6 112.7 0 0.0 140 -2.2 0 0.0 0 0.0 7 27
145 A 155 VAL V - 0 0 -68.8 -33.8 178.8 -153.2 42.5 31.5 0 0.0 0 0.0 0 0.0 0 0.0 9 41
146 A 156 GLY G - 0 0 90.9 178.4 -178.9 -34.1 28.8 102.5 0 0.0 0 0.0 0 0.0 0 0.0 8 39
147 A 157 ASN N - 0 0 -74.1 163.3 -180.0 -165.8 53.0 103.6 0 0.0 0 0.0 0 0.0 0 0.0 6 41
148 A 158 TYR Y t > T - 0 0 -155.1 137.7 -179.9 -132.1 29.4 166.5 0 0.0 151 -1.9 0 0.0 0 0.0 10 42
149 A 159 SER S T T 3 TS+ 0 0 -57.7 -29.4 -179.1 46.2 112.2 39.8 0 0.0 0 0.0 0 0.0 0 0.0 6 39
150 A 160 GLY G T T 3 TS- 0 0 -97.6 6.1 -179.8 -90.4 125.7 69.8 0 0.0 0 0.0 0 0.0 0 0.0 7 44
151 A 161 GLY G h > < T - 0 0 100.7 150.8 180.0 -85.5 35.6 88.7 148 -1.9 155 -1.8 0 0.0 0 0.0 8 30
152 A 162 LEU L H H > TS+ 0 0 -57.4 -43.1 -179.7 59.1 122.6 28.2 0 0.0 156 -2.7 0 0.0 0 0.0 9 29
153 A 163 ALA A H H > TS+ 0 0 -55.1 -45.9 179.9 45.3 107.5 25.9 0 0.0 157 -2.0 0 0.0 0 0.0 6 28
154 A 164 VAL V H H > TS+ 0 0 -68.3 -38.9 179.6 52.4 111.1 27.0 0 0.0 158 -2.5 0 0.0 0 0.0 11 41
155 A 165 LYS K H H X TS+ 0 0 -62.5 -43.7 179.3 47.4 111.5 20.6 151 -1.8 159 -2.4 0 0.0 0 0.0 12 46
156 A 166 GLU E H H X TS+ 0 0 -63.9 -37.6 179.5 53.1 110.1 28.6 152 -2.7 160 -2.4 0 0.0 0 0.0 10 37
157 A 167 TRP W H H X TS+ 0 0 -62.8 -47.1 -179.1 46.4 111.0 20.1 153 -2.0 161 -2.3 0 0.0 0 0.0 8 41
158 A 168 LEU L H H X TS+ 0 0 -63.2 -42.9 179.7 47.4 113.4 26.4 154 -2.5 162 -1.4 0 0.0 0 0.0 9 51
159 A 169 LEU L H H < >TS+ 0 0 -67.2 -38.9 178.6 49.0 112.7 26.3 155 -2.4 164 -2.2 0 0.0 0 0.0 13 46
160 A 170 ALA A H H < >5TS+ 0 0 -65.2 -40.2 179.0 55.4 107.7 25.6 156 -2.4 163 -1.8 0 0.0 0 0.0 10 32
161 A 171 HIS H H H < 35TS+ 0 0 -59.5 -33.8 -179.6 54.2 105.5 32.0 157 -2.3 0 0.0 0 0.0 0 0.0 7 38
162 A 172 GLU E T h < 35TS- 0 0 -88.9 16.7 177.4 -90.6 130.2 78.2 158 -1.4 0 0.0 0 0.0 0 0.0 8 40
163 A 173 GLY G T T <5TS+ 0 0 97.8 -7.7 -179.9 142.0 76.2 69.1 160 -1.8 0 0.0 0 0.0 0 0.0 7 25
164 A 174 HIS H t 33< >33< >33< >>3XX3<< >>3<< >33< 3-turns
bridge-2 BBBBBB a bridge-2
bridge-1 AAAAA AAAAA BB*BBBB a bridge-1
sheets AAAAA AAAAAA AAAAAAA sheets
4-turns >>>>XXXXXXXXX<<<< >>44<< >>>>XXXXXX<<<< 4-turns
summary EEEEE tTTteEEEEEETTEEEEEEEe SS SS hHHHHHHHHHHHHHHHhGGGGGGg B hHHHHh hHHHHHHHHHHHHhtTTt summary
sequence EMKRTTLDSPLGKLELSGCEQGLHEIKLLGKDAVEVPAPAAVLGGPEPLMQCTAWLNAYFHQPEAIEEFPVPALHHPVFQQESFTRQVLWKLLKVVKFGE sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEHHHHHHHTT TT HHHHHHHHTT SSBTTB GGGEE TTS TT HHHHHHHHHHTT Kabs/Sand
chirality ---+++++++-+-+++++++++++++-+-+++-+++++--+-+-----+--++++++++++-+- chirality
bends SSSSSSSSS SS SSSSSSSSSS SSSSSS SSS SSS SS SSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTT TTTT TTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33<>33< >>><<< >>3<< >33< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 cc b b cc bridge-1
sheets BB BB sheets
4-turns >>>>X<<<< >>>>XX<<<< >444< >>>>XXXX<<<< 4-turns
summary EEHHHHHHHhTtTThHHHHHHHHhTtStBTTBgGGeEEtTTt tTThHHHHHHHHHHhTt summary
sequence VISYQQLAALAGNPKAARAVGGAMRGNPVPILIPCHRVVCSSGAVGNYSGGLAVKEWLLAHEGHRL sequence
110 120 130 140 150 160
Messages
chain break between 31(A 36 ) and 32(A 42 )