Secondary structure calculation program - copyright by David Keith Smith, 1989
2abk-.pdb
2ABK ENDONUCLEASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 211
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 MET M 0 0 999.9 171.4 174.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 32
2 2 ASN N h > T - 0 0 -148.5 175.3 179.2 -89.5 999.9 166.8 0 0.0 6 -2.6 0 0.0 0 0.0 5 24
3 3 LYS K H H > TS+ 0 0 -51.5 -47.9 177.2 47.5 120.8 31.0 0 0.0 7 -2.1 0 0.0 0 0.0 7 26
4 4 ALA A H H > TS+ 0 0 -63.9 -41.1 178.1 47.5 113.7 22.5 0 0.0 8 -2.1 0 0.0 0 0.0 6 23
5 5 LYS K H H > TS+ 0 0 -67.6 -41.0 174.6 51.7 111.2 22.9 0 0.0 9 -2.4 0 0.0 0 0.0 9 28
6 6 ARG R H H X TS+ 0 0 -60.0 -43.2 179.1 51.2 108.7 21.3 2 -2.6 10 -2.3 0 0.0 0 0.0 12 43
7 7 LEU L H H X TS+ 0 0 -65.6 -38.1 175.4 50.1 108.8 22.2 3 -2.1 11 -2.4 0 0.0 0 0.0 8 36
8 8 GLU E H H X TS+ 0 0 -68.6 -37.2 172.1 52.8 108.5 23.6 4 -2.1 12 -2.3 0 0.0 0 0.0 8 32
9 9 ILE I H H X TS+ 0 0 -56.2 -50.1 178.3 45.7 112.3 14.6 5 -2.4 13 -2.4 0 0.0 0 0.0 10 48
10 10 LEU L H H X TS+ 0 0 -62.4 -38.6 172.7 54.0 110.4 24.6 6 -2.3 14 -2.5 0 0.0 0 0.0 9 51
11 11 THR T H H X TS+ 0 0 -60.0 -43.6 175.9 46.4 110.6 24.4 7 -2.4 15 -2.2 0 0.0 0 0.0 8 36
12 12 ARG R H H X TS+ 0 0 -67.9 -43.4 171.5 51.5 110.5 23.9 8 -2.3 16 -2.4 0 0.0 0 0.0 10 34
13 13 LEU L H H X TS+ 0 0 -57.7 -41.0 173.4 48.7 111.7 22.2 9 -2.4 17 -2.1 0 0.0 0 0.0 11 48
14 14 ARG R H H < TS+ 0 0 -64.8 -45.8 172.0 49.5 110.8 21.7 10 -2.5 0 0.0 0 0.0 0 0.0 9 33
15 15 GLU E H H < TS+ 0 0 -53.6 -44.9 -179.2 48.1 112.9 22.1 11 -2.2 0 0.0 0 0.0 0 0.0 7 23
16 16 ASN N H H < TS+ 0 0 -64.9 -41.0 -179.4 4.5 136.6 27.5 12 -2.4 0 0.0 0 0.0 0 0.0 6 28
17 17 ASN N h < T - 0 0 -149.9 90.6 -174.0 -171.9 65.8 133.1 13 -2.1 0 0.0 0 0.0 0 0.0 8 30
18 18 PRO P S S S+ 0 0 -58.5 -32.7 -179.1 31.0 85.2 38.6 0 0.0 0 0.0 0 0.0 0 0.0 7 25
19 19 HIS H S S S- 0 0 -131.1 79.1 -178.8 -174.0 77.7 128.0 0 0.0 0 0.0 0 0.0 0 0.0 6 30
20 20 PRO P + 0 0 -68.4 145.8 173.9 166.8 13.1 111.8 0 0.0 0 0.0 0 0.0 0 0.0 8 37
21 21 THR T - 0 0 -149.8 177.2 176.0 -67.8 37.5 157.8 0 0.0 0 0.0 0 0.0 0 0.0 8 47
22 22 THR T - 0 0 -58.7 153.4 171.7 -136.2 30.7 103.5 0 0.0 0 0.0 0 0.0 0 0.0 7 54
23 23 GLU E S S S+ 0 0 -91.0 -1.7 169.7 101.5 78.6 64.0 0 0.0 0 0.0 0 0.0 0 0.0 5 42
24 24 LEU L S S S- 0 0 -75.3 132.7 174.9 -122.1 78.5 131.3 0 0.0 0 0.0 0 0.0 0 0.0 11 41
25 25 ASN N + 0 0 -77.4 133.0 175.2 148.9 46.2 129.5 0 0.0 0 0.0 0 0.0 0 0.0 8 37
26 26 PHE F - 0 0 -158.7 154.6 176.7 -171.0 35.5 167.3 0 0.0 0 0.0 0 0.0 0 0.0 8 40
27 27 SER S S S S+ 0 0 -127.6 5.3 178.4 27.5 79.5 71.0 0 0.0 0 0.0 0 0.0 0 0.0 6 29
28 28 SER S S h > TS- 0 0 -155.2 159.3 170.5 -104.5 83.4 172.1 0 0.0 32 -2.0 0 0.0 0 0.0 7 33
29 29 PRO P H H > TS+ 0 0 -51.3 -40.4 178.6 52.4 122.2 27.0 0 0.0 33 -2.8 0 0.0 0 0.0 11 46
30 30 PHE F H H > TS+ 0 0 -64.7 -48.3 176.0 49.2 107.6 18.8 0 0.0 34 -2.5 0 0.0 0 0.0 11 56
31 31 GLU E H H > TS+ 0 0 -61.1 -34.0 171.8 48.9 112.7 32.0 0 0.0 35 -1.9 0 0.0 0 0.0 12 53
32 32 LEU L H H X TS+ 0 0 -68.2 -44.0 178.6 51.7 109.7 20.0 28 -2.0 36 -2.7 0 0.0 0 0.0 14 52
33 33 LEU L H H X TS+ 0 0 -58.0 -45.0 178.2 44.7 112.9 20.1 29 -2.8 37 -2.5 0 0.0 0 0.0 10 68
34 34 ILE I H H X TS+ 0 0 -66.1 -43.9 179.3 51.2 112.7 21.3 30 -2.5 38 -2.2 0 0.0 0 0.0 9 76
35 35 ALA A H H X TS+ 0 0 -60.1 -39.2 177.5 48.2 111.5 23.1 31 -1.9 39 -1.3 0 0.0 0 0.0 14 66
36 36 VAL V H H < TS+ 0 0 -68.9 -39.8 173.0 51.4 109.8 22.1 32 -2.7 0 0.0 0 0.0 0 0.0 11 62
37 37 LEU L H H < > TS+ 0 0 -63.0 -32.3 177.3 50.0 110.6 29.7 33 -2.5 40 -0.6 0 0.0 0 0.0 11 65
38 38 LEU L H H < 3 TS+ 0 0 -76.2 -20.2 -178.9 78.7 95.1 39.4 34 -2.2 0 0.0 0 0.0 0 0.0 11 63
39 39 SER S T h < > T + 0 0 -60.4 -28.7 -177.1 116.1 58.5 48.5 35 -1.3 42 -1.9 0 0.0 0 0.0 10 48
40 40 ALA A T T < TS- 0 0 -54.8 120.7 -176.9 -11.7 97.7 104.0 37 -0.6 0 0.0 0 0.0 0 0.0 7 43
41 41 GLN Q T T 3 TS+ 0 0 55.4 33.0 176.9 101.8 120.5 31.9 0 0.0 0 0.0 0 0.0 0 0.0 5 28
42 42 ALA A S t < TS- 0 0 -138.8 154.6 177.2 -111.6 73.5 167.7 39 -1.9 0 0.0 0 0.0 0 0.0 10 29
43 43 THR T h > T - 0 0 -81.8 156.5 174.5 -119.3 27.0 121.5 0 0.0 47 -2.3 0 0.0 0 0.0 7 27
44 44 ASP D H H > TS+ 0 0 -57.9 -38.9 177.7 54.3 118.0 21.7 0 0.0 48 -3.0 0 0.0 0 0.0 9 35
45 45 VAL V H H > TS+ 0 0 -63.5 -40.8 172.7 49.7 107.5 25.3 0 0.0 49 -1.9 0 0.0 0 0.0 7 27
46 46 SER S H H > TS+ 0 0 -59.0 -46.8 177.5 46.7 113.1 21.4 0 0.0 50 -2.0 0 0.0 0 0.0 10 32
47 47 VAL V H H X TS+ 0 0 -61.8 -46.3 -178.5 51.1 111.3 15.1 43 -2.3 51 -2.8 0 0.0 0 0.0 14 42
48 48 ASN N H H X TS+ 0 0 -62.3 -34.1 174.5 53.1 107.9 31.2 44 -3.0 52 -1.7 0 0.0 0 0.0 11 38
49 49 LYS K H H X TS+ 0 0 -64.0 -46.6 174.4 44.6 112.2 21.3 45 -1.9 53 -0.7 0 0.0 0 0.0 8 34
50 50 ALA A H H X > TS+ 0 0 -65.0 -42.6 179.6 47.6 114.5 23.2 46 -2.0 54 -2.3 0 0.0 53 -0.8 12 45
51 51 THR T H H X 3 TS+ 0 0 -74.3 -23.0 172.8 64.8 101.6 34.6 47 -2.8 55 -2.0 0 0.0 0 0.0 11 50
52 52 ALA A H H < 3 TS+ 0 0 -62.6 -30.3 174.4 37.6 111.8 34.4 48 -1.7 0 0.0 0 0.0 0 0.0 8 32
53 53 LYS K H H < < TS+ 0 0 -81.1 -48.3 -177.9 40.1 123.7 25.2 50 -0.8 0 0.0 49 -0.7 0 0.0 9 31
54 54 LEU L H H X > TS+ 0 0 -71.6 -50.6 -173.6 58.8 104.5 21.0 50 -2.3 58 -2.3 0 0.0 57 -1.9 12 49
55 55 TYR Y T h < 3 TS+ 0 0 -64.9 -29.5 167.2 58.8 98.5 36.3 51 -2.0 0 0.0 0 0.0 0 0.0 9 41
56 56 PRO P T T 4 3 TS+ 0 0 -63.3 -19.3 176.6 35.2 117.6 45.5 0 0.0 0 0.0 0 0.0 0 0.0 7 29
57 57 VAL V T T 4 < TS+ 0 0 -106.0 -24.4 176.2 8.9 136.1 43.8 54 -1.9 0 0.0 0 0.0 0 0.0 6 26
58 58 ALA A t < T + 0 0 -154.5 108.8 177.1 146.6 60.8 145.9 54 -2.3 0 0.0 0 0.0 0 0.0 9 40
59 59 ASN N + 0 0 -134.4 32.0 175.1 69.6 56.3 82.6 0 0.0 0 0.0 0 0.0 0 0.0 11 47
60 60 THR T S h > TS- 0 0 -134.0 157.3 177.8 -108.1 88.3 159.0 0 0.0 64 -2.3 0 0.0 0 0.0 9 41
61 61 PRO P H H > TS+ 0 0 -54.6 -39.1 178.0 50.4 120.0 24.2 0 0.0 65 -2.4 0 0.0 0 0.0 12 47
62 62 ALA A H H > TS+ 0 0 -66.5 -42.8 175.8 44.2 111.5 30.1 0 0.0 66 -1.7 0 0.0 0 0.0 9 36
63 63 ALA A H H > TS+ 0 0 -69.8 -37.5 175.2 52.5 114.1 25.7 0 0.0 67 -1.4 0 0.0 0 0.0 9 33
64 64 MET M H H X TS+ 0 0 -62.2 -45.9 176.4 48.4 108.7 20.9 60 -2.3 68 -1.4 0 0.0 0 0.0 13 45
65 65 LEU L H H < TS+ 0 0 -62.4 -37.7 175.1 55.0 108.8 24.1 61 -2.4 0 0.0 0 0.0 0 0.0 11 38
66 66 GLU E H H < TS+ 0 0 -64.5 -27.7 175.3 55.4 103.6 40.9 62 -1.7 0 0.0 0 0.0 0 0.0 6 30
67 67 LEU L H H X TS- 0 0 -73.1 -33.7 178.5 -155.6 101.9 29.0 63 -1.4 71 -0.8 0 0.0 0 0.0 10 32
68 68 GLY G H H X T - 0 0 79.0 162.6 178.7 -66.5 31.4 82.5 64 -1.4 72 -2.6 0 0.0 0 0.0 9 34
69 69 VAL V H H > TS+ 0 0 -49.3 -52.1 178.5 43.8 136.1 20.6 0 0.0 73 -2.4 0 0.0 0 0.0 10 34
70 70 GLU E H H > TS+ 0 0 -68.1 -35.0 173.1 52.3 112.0 28.7 0 0.0 74 -1.5 0 0.0 0 0.0 8 28
71 71 GLY G H H X TS+ 0 0 -64.2 -42.4 175.6 49.7 110.4 20.6 67 -0.8 75 -1.2 0 0.0 0 0.0 8 35
72 72 VAL V H H X > TS+ 0 0 -58.2 -49.9 178.5 55.8 106.2 17.1 68 -2.6 76 -1.7 0 0.0 75 -0.8 12 49
73 73 LYS K H H X 3 TS+ 0 0 -54.1 -37.6 173.2 61.8 99.1 30.6 69 -2.4 77 -1.5 0 0.0 0 0.0 11 39
74 74 THR T H H < 3 TS+ 0 0 -53.2 -44.7 177.1 38.6 110.9 22.9 70 -1.5 0 0.0 0 0.0 0 0.0 7 35
75 75 TYR Y H H < < TS+ 0 0 -80.1 -26.4 -178.4 36.2 125.3 40.4 71 -1.2 0 0.0 72 -0.8 0 0.0 11 43
76 76 ILE I H H < > TS+ 0 0 -111.1 8.6 179.8 114.4 75.6 70.5 72 -1.7 79 -2.3 0 0.0 0 0.0 11 50
77 77 LYS K T h < 3 TS+ 0 0 -54.9 -14.4 173.7 67.0 70.8 50.9 73 -1.5 0 0.0 0 0.0 0 0.0 9 34
78 78 THR T T T 3 TS+ 0 0 -78.0 -15.5 179.4 83.8 88.0 51.8 0 0.0 0 0.0 0 0.0 0 0.0 8 34
79 79 ILE I S t X TS- 0 0 -91.0 143.1 175.2 -99.1 90.3 132.8 76 -2.3 82 -1.4 0 0.0 0 0.0 11 37
80 80 GLY G T T 3 TS+ 0 0 -55.9 143.3 179.1 8.5 103.9 101.4 0 0.0 0 0.0 0 0.0 0 0.0 8 33
81 81 LEU L T h > > TS+ 0 0 58.0 24.5 -177.4 155.8 78.6 45.7 0 0.0 85 -2.5 0 0.0 84 -0.6 6 32
82 82 TYR Y H H > < T + 0 0 -58.0 -22.5 176.4 61.5 62.3 39.9 79 -1.4 86 -2.7 0 0.0 0 0.0 12 39
83 83 ASN N H H > 3 TS+ 0 0 -69.7 -44.8 176.7 35.5 112.4 15.3 0 0.0 87 -1.6 0 0.0 0 0.0 8 32
84 84 SER S H H > < TS+ 0 0 -73.5 -35.1 172.3 55.6 116.9 25.6 81 -0.6 88 -2.8 0 0.0 0 0.0 7 35
85 85 LYS K H H X TS+ 0 0 -57.0 -49.2 175.9 50.5 106.3 17.3 81 -2.5 89 -2.9 0 0.0 0 0.0 11 47
86 86 ALA A H H X TS+ 0 0 -57.6 -40.4 172.2 49.0 111.4 26.6 82 -2.7 90 -2.2 0 0.0 0 0.0 12 50
87 87 GLU E H H X TS+ 0 0 -61.0 -54.3 175.9 47.6 112.0 16.3 83 -1.6 91 -2.5 0 0.0 0 0.0 9 39
88 88 ASN N H H X TS+ 0 0 -55.1 -41.5 176.9 53.6 110.7 24.9 84 -2.8 92 -2.9 0 0.0 0 0.0 10 45
89 89 ILE I H H X TS+ 0 0 -58.8 -52.8 -178.5 44.1 110.6 14.1 85 -2.9 93 -2.6 0 0.0 0 0.0 11 63
90 90 ILE I H H X TS+ 0 0 -60.9 -43.3 175.1 48.6 115.5 20.2 86 -2.2 94 -2.1 0 0.0 0 0.0 12 48
91 91 LYS K H H X TS+ 0 0 -60.5 -46.2 177.7 50.0 110.9 17.4 87 -2.5 95 -2.3 0 0.0 0 0.0 9 45
92 92 THR T H H X TS+ 0 0 -60.8 -42.6 177.3 52.6 109.2 23.6 88 -2.9 96 -2.4 0 0.0 0 0.0 10 54
93 93 CYS C H H X TS+ 0 0 -60.0 -37.0 177.0 50.9 108.5 26.1 89 -2.6 97 -2.1 0 0.0 0 0.0 13 49
94 94 ARG R H H X TS+ 0 0 -65.1 -51.6 173.7 47.5 110.6 10.9 90 -2.1 98 -2.9 0 0.0 0 0.0 10 39
95 95 ILE I H H X >TS+ 0 0 -54.1 -43.9 176.2 51.6 111.6 27.6 91 -2.3 100 -1.1 0 0.0 99 -0.8 10 35
96 96 LEU L H H < 5TS+ 0 0 -62.6 -37.9 179.4 46.7 112.5 24.9 92 -2.4 102 -3.1 0 0.0 103 -0.6 13 40
97 97 LEU L H H < 5TS+ 0 0 -69.9 -46.0 177.3 31.5 123.2 18.6 93 -2.1 0 0.0 0 0.0 0 0.0 12 28
98 98 GLU E H H < >5TS+ 0 0 -70.7 -75.3 -174.9 22.6 133.1 11.8 94 -2.9 101 -0.6 0 0.0 0 0.0 8 22
99 99 GLN Q T h < 35TS+ 0 0 -72.2 -26.4 -173.7 30.2 134.2 46.8 95 -0.8 0 0.0 0 0.0 0 0.0 6 25
100 100 HIS H T T > T - 0 0 -151.2 121.6 -179.4 -146.4 64.0 153.3 105 -2.2 111 -2.6 0 0.0 0 0.0 7 36
108 108 ARG R H H > TS+ 0 0 -53.5 -53.8 177.5 46.2 100.2 24.2 0 0.0 112 -2.8 0 0.0 0 0.0 10 36
109 109 ALA A H H > TS+ 0 0 -59.9 -41.3 175.2 50.5 113.6 19.8 0 0.0 113 -1.3 0 0.0 0 0.0 6 27
110 110 ALA A H H > TS+ 0 0 -61.5 -45.2 177.7 45.0 113.4 18.0 0 0.0 114 -0.5 0 0.0 0 0.0 8 35
111 111 LEU L H H < > TS+ 0 0 -65.5 -40.7 176.6 53.8 110.8 20.9 107 -2.6 114 -1.5 0 0.0 0 0.0 13 49
112 112 GLU E H H < 3 TS+ 0 0 -62.9 -25.0 172.7 62.1 100.7 43.7 108 -2.8 0 0.0 0 0.0 0 0.0 12 35
113 113 ALA A H H < 3 TS+ 0 0 -69.1 -23.5 -178.5 100.0 84.6 47.3 109 -1.3 0 0.0 0 0.0 0 0.0 8 33
114 114 LEU L S h < X TS- 0 0 -72.1 140.6 179.0 -96.3 88.5 117.1 111 -1.5 117 -1.7 110 -0.5 0 0.0 10 47
115 115 PRO P T T 3 TS+ 0 0 -56.5 121.5 179.4 9.3 106.5 107.3 0 0.0 0 0.0 0 0.0 0 0.0 9 38
116 116 GLY G T T 3 TS+ 0 0 93.0 -17.4 178.6 103.5 103.4 77.4 0 0.0 118 -0.6 0 0.0 0 0.0 7 43
117 117 VAL V t < T + 0 0 -107.0 122.9 178.3 175.1 45.0 147.5 114 -1.7 0 0.0 0 0.0 0 0.0 11 47
118 118 GLY G h > T - 0 0 -104.0 -166.4 178.7 -71.3 50.1 113.1 116 -0.6 122 -2.9 0 0.0 0 0.0 10 34
119 119 ARG R H H > TS+ 0 0 -54.5 -48.3 179.5 45.6 130.1 25.0 0 0.0 123 -2.5 0 0.0 0 0.0 8 35
120 120 LYS K H H > TS+ 0 0 -64.3 -40.4 177.5 47.9 115.3 27.1 0 0.0 124 -2.4 0 0.0 0 0.0 8 46
121 121 THR T H H > TS+ 0 0 -66.6 -47.8 173.5 49.9 110.8 19.5 0 0.0 125 -2.9 0 0.0 0 0.0 10 51
122 122 ALA A H H X TS+ 0 0 -53.4 -45.8 173.6 48.8 113.1 19.8 118 -2.9 126 -2.9 0 0.0 0 0.0 12 47
123 123 ASN N H H X TS+ 0 0 -62.7 -41.2 175.9 49.3 110.5 25.7 119 -2.5 127 -2.2 0 0.0 0 0.0 12 52
124 124 VAL V H H X TS+ 0 0 -65.0 -44.6 179.1 46.4 113.9 18.8 120 -2.4 128 -3.0 0 0.0 0 0.0 11 59
125 125 VAL V H H X >TS+ 0 0 -63.6 -45.0 176.0 48.6 112.8 16.4 121 -2.9 129 -2.4 0 0.0 130 -1.0 13 56
126 126 LEU L H H X 5TS+ 0 0 -60.0 -44.6 174.4 42.0 118.2 22.1 122 -2.9 132 -2.1 0 0.0 130 -0.7 14 49
127 127 ASN N H H X 5TS+ 0 0 -64.7 -47.4 -170.0 35.7 122.9 15.1 123 -2.2 131 -1.0 0 0.0 0 0.0 13 50
128 128 THR T H H < 5TS+ 0 0 -84.0 -43.2 177.6 29.4 128.4 21.2 124 -3.0 0 0.0 0 0.0 0 0.0 10 52
129 129 ALA A H H < 5TS+ 0 0 -84.5 -33.8 -173.2 25.2 134.9 29.9 125 -2.4 0 0.0 0 0.0 0 0.0 9 46
130 130 PHE F H H < T - 0 0 -105.3 -173.0 175.6 -81.0 55.4 125.2 136 -0.6 142 -2.8 0 0.0 0 0.0 7 49
139 139 THR T H H > TS+ 0 0 -58.6 -43.3 175.2 51.1 128.5 21.8 0 0.0 143 -2.7 0 0.0 0 0.0 6 38
140 140 HIS H H H > TS+ 0 0 -59.2 -48.0 179.4 42.1 113.2 21.1 0 0.0 144 -2.5 0 0.0 0 0.0 12 42
141 141 ILE I H H > TS+ 0 0 -69.1 -38.5 175.4 54.7 113.7 23.2 0 0.0 145 -2.7 0 0.0 0 0.0 12 53
142 142 PHE F H H X TS+ 0 0 -58.4 -49.8 178.0 43.9 111.3 16.9 138 -2.8 146 -2.0 0 0.0 0 0.0 13 44
143 143 ARG R H H X TS+ 0 0 -60.7 -43.9 178.1 48.5 115.1 18.4 139 -2.7 147 -3.0 0 0.0 0 0.0 10 48
144 144 VAL V H H X TS+ 0 0 -61.7 -47.9 -177.6 49.4 111.3 17.9 140 -2.5 148 -2.4 0 0.0 0 0.0 13 62
145 145 CYS C H H X TS+ 0 0 -63.9 -36.9 176.8 42.1 116.4 27.1 141 -2.7 151 -1.1 0 0.0 149 -0.9 12 61
146 146 ASN N H H < TS+ 0 0 -77.6 -43.3 175.3 49.1 115.0 23.8 142 -2.0 0 0.0 0 0.0 0 0.0 11 44
147 147 ARG R H H < TS+ 0 0 -59.3 -50.1 -179.9 35.8 120.2 13.6 143 -3.0 0 0.0 0 0.0 0 0.0 10 46
148 148 THR T H H < TS- 0 0 -71.9 -20.2 -169.7 -130.4 102.1 43.3 144 -2.4 204 -1.4 0 0.0 0 0.0 11 52
149 149 GLN Q h < T + 0 0 69.8 15.2 176.1 132.0 68.4 55.9 145 -0.9 0 0.0 0 0.0 0 0.0 11 44
150 150 PHE F S S S- 0 0 -58.1 -44.8 176.8 -9.3 92.0 21.1 0 0.0 0 0.0 0 0.0 0 0.0 10 58
151 151 ALA A S S S- 0 0 -154.1 76.8 -176.2 -167.8 83.8 121.2 145 -1.1 0 0.0 0 0.0 0 0.0 11 51
152 152 PRO P + 0 0 -69.9 152.5 176.6 154.3 16.5 106.7 0 0.0 0 0.0 0 0.0 0 0.0 12 37
153 153 GLY G - 0 0 -170.0 159.9 -178.5 -122.2 47.6 162.0 0 0.0 0 0.0 0 0.0 0 0.0 9 30
154 154 LYS K S S S+ 0 0 -84.1 -21.3 177.1 8.6 92.9 52.0 0 0.0 0 0.0 0 0.0 0 0.0 6 24
155 155 ASN N S h > TS- 0 0 -147.7 176.9 -178.4 -85.0 90.6 158.3 0 0.0 159 -1.6 0 0.0 0 0.0 7 24
156 156 VAL V H H > TS+ 0 0 -55.7 -46.9 -178.6 53.0 120.1 24.1 0 0.0 160 -2.6 0 0.0 0 0.0 10 30
157 157 GLU E H H > TS+ 0 0 -61.6 -40.2 175.5 50.9 107.5 26.5 0 0.0 161 -2.7 0 0.0 0 0.0 6 28
158 158 GLN Q H H > TS+ 0 0 -62.8 -39.9 179.6 45.7 112.7 26.8 0 0.0 162 -2.6 0 0.0 0 0.0 10 28
159 159 VAL V H H X TS+ 0 0 -70.9 -41.7 177.3 50.3 113.6 18.1 155 -1.6 163 -2.8 0 0.0 0 0.0 15 38
160 160 GLU E H H X TS+ 0 0 -59.2 -44.8 176.6 45.8 113.0 21.0 156 -2.6 164 -2.1 0 0.0 0 0.0 11 43
161 161 GLU E H H X TS+ 0 0 -67.6 -44.4 172.6 49.4 112.9 18.7 157 -2.7 165 -1.3 0 0.0 0 0.0 8 34
162 162 LYS K H H X TS+ 0 0 -59.4 -42.9 176.5 53.0 109.7 20.4 158 -2.6 166 -2.8 0 0.0 0 0.0 11 37
163 163 LEU L H H X TS+ 0 0 -60.1 -42.1 176.1 52.8 105.5 22.4 159 -2.8 167 -2.0 0 0.0 0 0.0 10 52
164 164 LEU L H H < TS+ 0 0 -66.8 -23.6 172.1 43.1 115.3 39.0 160 -2.1 0 0.0 0 0.0 0 0.0 9 40
165 165 A LYS K H H < TS+ 0 0 -83.8 -37.3 -176.8 36.9 121.2 34.4 161 -1.3 0 0.0 0 0.0 0 0.0 6 31
166 166 VAL V H H < TS+ 0 0 -94.5 -17.7 -178.4 84.8 93.2 48.2 162 -2.8 0 0.0 0 0.0 0 0.0 9 40
167 167 VAL V S h < TS- 0 0 -84.8 123.0 172.9 -120.4 82.5 138.1 163 -2.0 0 0.0 0 0.0 0 0.0 10 45
168 168 PRO P g > > T - 0 0 -54.3 146.2 178.5 -113.4 23.6 106.5 0 0.0 171 -2.0 0 0.0 172 -1.0 6 32
169 169 ALA A G G 4 > TS+ 0 0 -49.1 -37.3 177.5 64.6 115.6 31.0 0 0.0 172 -0.6 0 0.0 0 0.0 7 26
170 170 GLU E G G 4 3 TS+ 0 0 -55.5 -30.7 -175.6 35.3 111.0 37.5 0 0.0 0 0.0 0 0.0 0 0.0 5 30
171 171 PHE F G G > < TS+ 0 0 -105.2 -9.6 -174.5 93.8 90.1 58.2 168 -2.0 175 -1.1 0 0.0 0 0.0 9 41
172 172 LYS K T g < < TS+ 0 0 -64.5 -26.0 179.5 55.8 80.5 39.7 168 -1.0 0 0.0 169 -0.6 0 0.0 13 47
173 173 VAL V T T 4 TS+ 0 0 -75.2 -31.5 179.0 33.9 117.8 29.2 0 0.0 0 0.0 0 0.0 0 0.0 13 43
174 174 ASP D T h > TS+ 0 0 -97.9 -3.7 -177.1 92.5 94.4 57.1 0 0.0 178 -2.1 0 0.0 0 0.0 10 50
175 175 CYS C H H X TS+ 0 0 -58.4 -48.9 178.5 51.7 81.4 24.9 171 -1.1 179 -2.5 0 0.0 0 0.0 10 61
176 176 HIS H H H > TS+ 0 0 -53.8 -54.1 -177.3 43.8 113.3 18.5 0 0.0 180 -2.5 0 0.0 0 0.0 13 64
177 177 HIS H H H > TS+ 0 0 -66.3 -37.2 173.4 53.2 112.1 23.4 0 0.0 181 -2.3 0 0.0 0 0.0 10 57
178 178 TRP W H H X TS+ 0 0 -59.5 -45.5 -175.6 42.9 113.4 20.7 174 -2.1 182 -1.8 0 0.0 0 0.0 12 58
179 179 LEU L H H X TS+ 0 0 -74.5 -33.5 179.3 48.5 114.4 24.6 175 -2.5 183 -2.4 0 0.0 0 0.0 11 67
180 180 ILE I H H X TS+ 0 0 -72.5 -38.7 177.9 47.4 112.7 21.4 176 -2.5 184 -2.6 0 0.0 0 0.0 10 54
181 181 LEU L H H X TS+ 0 0 -68.1 -34.7 174.9 51.6 112.8 24.4 177 -2.3 185 -2.1 0 0.0 0 0.0 9 46
182 182 HIS H H H X >TS+ 0 0 -66.0 -43.1 178.1 43.7 113.5 20.7 178 -1.8 187 -2.7 0 0.0 186 -2.0 10 54
183 183 GLY G H H < 5TS+ 0 0 -68.6 -40.6 -177.6 48.5 114.8 25.2 179 -2.4 0 0.0 0 0.0 0 0.0 13 47
184 184 ARG R H H < 5TS+ 0 0 -68.2 -40.4 -175.4 22.2 126.5 25.1 180 -2.6 0 0.0 0 0.0 0 0.0 9 36
185 185 TYR Y H H < 5TS+ 0 0 -109.3 -16.4 179.3 13.9 137.2 50.2 181 -2.1 0 0.0 0 0.0 0 0.0 7 34
186 186 THR T T h < 5TS+ 0 0 -122.3 -56.4 -178.2 46.1 121.8 49.2 182 -2.0 193 -3.0 0 0.0 188 -1.8 12 39
187 187 CYS C S t T + 0 0 -90.9 55.8 -177.5 150.5 57.2 103.4 186 -3.0 196 -1.7 0 0.0 0 0.0 11 31
194 194 CYS C G G > T + 0 0 -56.7 -37.2 178.6 61.3 60.9 36.0 192 -1.2 197 -1.5 0 0.0 0 0.0 12 32
195 195 GLY G G G 3 TS+ 0 0 -68.6 -13.4 177.4 35.4 115.7 51.8 0 0.0 0 0.0 0 0.0 0 0.0 8 24
196 196 SER S G G < TS+ 0 0 -122.3 18.4 -177.0 127.3 89.2 85.6 193 -1.7 0 0.0 0 0.0 0 0.0 7 25
197 197 CYS C g X T - 0 0 -87.7 129.5 -175.7 -146.2 54.0 133.7 194 -1.5 200 -1.6 0 0.0 0 0.0 9 39
198 198 ILE I T T 3 TS+ 0 0 -67.7 -16.9 176.4 38.1 101.4 45.3 0 0.0 0 0.0 0 0.0 0 0.0 6 39
199 199 ILE I T g > > TS+ 0 0 -115.6 21.3 -176.0 120.2 78.1 80.6 0 0.0 203 -1.7 0 0.0 202 -1.7 8 47
200 200 GLU E G G 4 X TS+ 0 0 -55.0 -45.4 179.9 51.3 74.7 24.3 197 -1.6 203 -0.5 0 0.0 0 0.0 9 41
201 201 ASP D G G 4 3 TS+ 0 0 -72.5 -8.8 172.4 44.0 114.5 51.0 0 0.0 0 0.0 0 0.0 0 0.0 4 34
202 202 LEU L G G 4 < TS+ 0 0 -100.5 -19.1 179.2 99.9 92.5 53.3 199 -1.7 0 0.0 0 0.0 0 0.0 8 37
203 203 CYS C g < < T - 0 0 -71.4 131.2 -179.3 -156.2 58.6 117.0 199 -1.7 0 0.0 200 -0.5 0 0.0 10 47
204 204 GLU E + 0 0 -94.3 19.8 177.4 136.2 43.7 80.2 148 -1.4 0 0.0 0 0.0 0 0.0 8 34
205 205 TYR Y t > T - 0 0 -66.5 126.3 -179.7 -155.1 43.5 119.9 0 0.0 208 -0.7 0 0.0 0 0.0 8 38
206 206 LYS K T T 3 TS+ 0 0 -81.8 -9.5 -178.2 54.3 86.3 47.6 0 0.0 0 0.0 0 0.0 0 0.0 4 25
207 207 GLU E T T 3 TS+ 0 0 -116.0 37.6 179.9 163.6 71.3 97.3 0 0.0 0 0.0 0 0.0 0 0.0 4 27
208 208 LYS K t < T - 0 0 -53.8 145.4 -169.6 -149.3 24.8 101.3 205 -0.7 0 0.0 0 0.0 0 0.0 8 31
209 209 VAL V S S S+ 0 0 -98.2 -65.6 -174.0 26.1 71.3 10.2 0 0.0 0 0.0 0 0.0 0 0.0 9 25
210 210 ASP D 0 0 -94.8 38.2 -175.9 999.9 999.9 83.1 0 0.0 0 0.0 0 0.0 0 0.0 6 22
211 211 ILE I 0 0 54.3 999.9 999.9 999.9 999.9 11.4 0 0.0 0 0.0 0 0.0 0 0.0 5 22
2abk-.pdb
2ABK ENDONUCLEASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHHHHHH SS SS SSHHHHHHHHHHTTTS HHHHHHHHHHHTTT SHHHHHHHHHHHHHHHHTTSTTHHHHHHHHHHHHHHHHHTT Kabs/Sand
chirality -++++++++++++++-+-+--+-+-+-+++++++++++-+--++++++++++++++++-++++++--++++++++++-++++++++++++++++++++- chirality
bends SSSSSSSSSSSSSS SS SS SSSSSSSSSSSS SSS SSSSSSSSSSSSSS SSSSSSSS SSSSSSSSSSSSS SSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >3><3< >33<>33< >33<>33X3><3< >3> 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXXXXXX<<<< >>>>XXXX<<<< >>>>XXXXX<>>>X<>XXX<<<< >>>>XXXXXXXXXXX<<<< 4-turns
summary hHHHHHHHHHHHHHHhSS SS ShHHHHHHHHHHhTTthHHHHHHHHHHHhTTt hHHHHHHHHHHHHHHHHhTtThHHHHHHHHHHHHHHHHHhT summary
sequence MNKAKRLEILTRLRENNPHPTTELNFSSPFELLIAVLLSAQATDVSVNKATAKLYPVANTPAAMLELGVEGVKTYIKTIGLYNSKAENIIKTCRILLEQH sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand TTS S HHHHHHSTT HHHHHHHHHHHH HHHHHHHHHH SS SSHHHHHHHHHHHS GGGTTTHHHHHHHHHHHTS SSS GGG TTG Kabs/Sand
chirality -+---+-++++++-+++-+++++++++++-+-+---+-+++++++++-+--+-+-+++++++++++--+++++++++++++++++++-+---++++-+++ chirality
bends SSS S SSSSSSSSS SSSSSSSSSSSS SSSSSSSSSS SS SSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSS SSS SS SSS bends
turns TTT TTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns <3< >33X33< >>3<< >>3X 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>><<<< >>>>XXXXXX<<<< >>>>XXXX<<<< >>>>XXXXX<<<<>44><4>X>>XXXXX<<<< >4 4-turns
summary TTt ShHHHHHHhTTthHHHHHHHHHHHHh hHHHHHHHHHHhSS ShHHHHHHHHHHHhgGGGgThHHHHHHHHHHHht SSS gGGGgTgG summary
sequence NGEVPEDRAALEALPGVGRKTANVVLNTAFGWPTIAVDTHIFRVCNRTQFAPGKNVEQVEEKLLKVVPAEFKVDCHHWLILHGRYTCIARKPRCGSCIIE sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand GG TT S Kabs/Sand
chirality ++-+-++-+ chirality
bends SS SS S bends
turns TTT TTTT turns
5-turns 5-turns
3-turns 3<< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns 44< 4-turns
summary GGg tTTtS summary
sequence DLCEYKEKVDI sequence
210