Secondary structure calculation program - copyright by David Keith Smith, 1989
1avqA.pdb
1AVQ DEOXYRIBONUCLEASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 228
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 -1 SER S 0 0 999.9 150.7 -178.8 999.9 999.9 999.9 0 0.0 112 -3.1 0 0.0 0 0.0 4 18
2 A 0 HIS H - 0 0 -72.3 132.1 178.8 -117.2 999.9 116.9 0 0.0 0 0.0 0 0.0 0 0.0 6 20
3 A 1 MET M - 0 0 -72.0 142.7 179.0 -176.7 34.6 112.4 0 0.0 0 0.0 0 0.0 0 0.0 10 32
4 A 2 THR T h > > T - 0 0 -137.6 155.4 176.0 -119.8 39.6 172.4 0 0.0 8 -1.8 0 0.0 7 -0.7 7 29
5 A 3 PRO P H H > 3 TS+ 0 0 -59.2 -31.5 179.7 63.5 114.1 38.3 0 0.0 9 -2.5 0 0.0 0 0.0 9 32
6 A 4 ASP D H H > 3 TS+ 0 0 -62.3 -42.1 175.6 49.0 101.2 28.6 0 0.0 10 -1.7 0 0.0 0 0.0 6 23
7 A 5 ILE I H H > < TS+ 0 0 -65.0 -46.4 -179.6 47.2 112.5 21.5 4 -0.7 11 -3.0 0 0.0 0 0.0 9 28
8 A 6 ILE I H H X TS+ 0 0 -63.0 -42.6 -179.0 51.1 111.7 23.0 4 -1.8 12 -2.7 0 0.0 14 -0.8 12 42
9 A 7 LEU L H H X TS+ 0 0 -62.6 -41.6 -178.2 43.4 113.2 23.4 5 -2.5 13 -1.6 0 0.0 0 0.0 11 29
10 A 8 GLN Q H H < TS+ 0 0 -74.2 -40.6 178.1 43.8 118.4 19.5 6 -1.7 0 0.0 0 0.0 0 0.0 8 21
11 A 9 ARG R H H < TS+ 0 0 -72.8 -27.8 -173.9 12.6 135.3 34.3 7 -3.0 0 0.0 0 0.0 0 0.0 7 30
12 A 10 THR T H H < TS- 0 0 -128.1 -7.3 179.3 -121.0 91.0 64.1 8 -2.7 0 0.0 0 0.0 0 0.0 8 39
13 A 11 GLY G h < T + 0 0 78.4 5.0 -178.8 131.1 69.3 57.1 9 -1.6 0 0.0 0 0.0 0 0.0 7 26
14 A 12 ILE I - 0 0 -100.1 142.2 178.2 -138.5 55.6 138.6 8 -0.8 16 -1.0 0 0.0 0 0.0 8 34
15 A 13 ASP D g > > T - 0 0 -95.2 99.6 -175.7 -163.5 13.7 142.0 0 0.0 18 -2.5 0 0.0 19 -0.7 9 30
16 A 14 VAL V G G 4 > TS+ 0 0 -51.8 -42.7 -177.1 63.1 84.4 27.7 14 -1.0 19 -2.0 0 0.0 0 0.0 9 38
17 A 15 ARG R G G 4 3 TS+ 0 0 -60.0 -15.8 179.0 48.7 103.2 39.4 0 0.0 0 0.0 0 0.0 0 0.0 6 31
18 A 16 ALA A G G 4 < TS+ 0 0 -98.1 -4.3 -177.5 114.3 86.6 55.1 15 -2.5 0 0.0 0 0.0 0 0.0 5 27
19 A 17 VAL V g < < T - 0 0 -68.6 144.1 176.3 -165.2 46.3 113.9 16 -2.0 0 0.0 15 -0.7 0 0.0 10 32
20 A 18 GLU E t > T - 0 0 -127.8 136.8 -177.4 -88.6 36.4 171.8 0 0.0 23 -3.3 0 0.0 0 0.0 8 31
21 A 19 GLN Q T T 3 TS+ 0 0 -41.7 134.7 178.8 14.6 117.4 94.5 0 0.0 0 0.0 0 0.0 0 0.0 6 43
22 A 20 GLY G T T 3 TS+ 0 0 81.3 -18.9 174.2 138.2 95.6 77.9 0 0.0 0 0.0 0 0.0 0 0.0 7 39
23 A 21 ASP D S h > < TS- 0 0 -41.9 173.7 172.4 -107.6 71.2 87.0 20 -3.3 27 -1.4 0 0.0 0 0.0 8 30
24 A 22 ASP D H H > TS+ 0 0 -74.2 -43.3 179.7 48.1 123.3 14.2 0 0.0 28 -2.4 0 0.0 0 0.0 6 29
25 A 23 ALA A H H > TS+ 0 0 -60.9 -38.3 179.1 60.9 103.4 37.2 0 0.0 29 -2.9 0 0.0 0 0.0 9 36
26 A 24 TRP W H H 4 TS+ 0 0 -55.1 -45.7 176.5 43.2 108.9 26.1 0 0.0 0 0.0 0 0.0 0 0.0 13 43
27 A 25 HIS H H H X > TS+ 0 0 -66.7 -49.2 178.1 50.9 112.8 22.7 23 -1.4 30 -1.4 0 0.0 31 -0.9 9 46
28 A 26 LYS K H H < > TS+ 0 0 -57.0 -47.1 -179.3 59.1 103.4 17.2 24 -2.4 31 -1.6 0 0.0 0 0.0 9 52
29 A 27 LEU L T h < 3 TS+ 0 0 -55.9 -19.0 -179.4 51.9 105.6 44.2 25 -2.9 0 0.0 0 0.0 0 0.0 6 57
30 A 28 ARG R T T 4 X TS+ 0 0 -95.0 -14.1 179.0 120.3 77.6 53.3 27 -1.4 33 -2.0 0 0.0 0 0.0 9 58
31 A 29 LEU L T T < < TS+ 0 0 -56.7 126.1 176.1 0.7 88.3 106.9 28 -1.6 0 0.0 27 -0.9 0 0.0 13 54
32 A 30 GLY G T T 3 TS+ 0 0 85.3 -10.4 -176.4 122.4 104.6 71.7 0 0.0 0 0.0 0 0.0 0 0.0 12 57
33 A 31 VAL V t < T - 0 0 -92.8 149.9 176.2 -118.7 66.7 127.4 30 -2.0 35 -0.8 0 0.0 0 0.0 10 64
34 A 32 ILE I E E Aa - 116 0 -87.3 108.2 -176.7 -171.1 41.3 140.0 115 -2.3 117 -2.7 0 0.0 0 0.0 10 68
35 A 33 THR T E E >Aa > T - 117 0 -103.2 158.0 -178.1 -113.4 35.1 126.0 33 -0.8 39 -1.3 0 0.0 38 -1.1 11 59
36 A 34 ALA A T e 4 3 TS+ 0 0 -60.9 -38.5 179.8 63.4 112.5 24.3 117 -0.8 0 0.0 0 0.0 0 0.0 14 57
37 A 35 SER S T T 4 3 TS+ 0 0 -59.3 -28.3 -174.3 27.0 116.2 33.4 0 0.0 0 0.0 0 0.0 0 0.0 9 53
38 A 36 GLU E T g 4 X TS+ 0 0 -113.3 -3.4 -172.9 99.8 86.7 57.6 35 -1.1 41 -2.0 0 0.0 0 0.0 10 47
39 A 37 VAL V G G X > T + 0 0 -56.8 -20.1 -177.5 80.9 66.4 45.6 35 -1.3 43 -2.4 0 0.0 42 -0.6 12 59
40 A 38 HIS H G G 4 3 TS+ 0 0 -54.8 -32.6 178.1 53.9 89.7 35.2 0 0.0 0 0.0 0 0.0 0 0.0 12 48
41 A 39 ASN N G G 4 X TS+ 0 0 -68.2 -37.0 -176.3 55.8 104.5 33.1 38 -2.0 44 -0.8 0 0.0 0 0.0 9 44
42 A 40 VAL V T g 4 < TS+ 0 0 -69.4 -40.0 -177.1 43.1 110.1 28.1 39 -0.6 0 0.0 0 0.0 0 0.0 11 56
43 A 41 ILE I T T < 3 TS+ 0 0 -91.3 9.7 -179.2 125.9 85.0 60.5 39 -2.4 0 0.0 0 0.0 0 0.0 11 49
44 A 42 ALA A t < T - 0 0 -65.2 140.0 178.3 -156.4 43.5 110.2 41 -0.8 0 0.0 0 0.0 0 0.0 10 40
45 A 43 LYS K - 0 0 -125.5 150.6 178.4 -120.7 15.9 154.0 0 0.0 0 0.0 0 0.0 0 0.0 8 31
46 A 44 PRO P - 0 0 -76.4 150.7 179.2 -112.8 34.8 120.7 0 0.0 0 0.0 0 0.0 0 0.0 9 18
47 A 45 ARG R S S S- 0 0 -47.6 -35.9 -177.2 -5.0 100.5 36.7 0 0.0 0 0.0 0 0.0 0 0.0 4 13
48 A 46 SER S S S S+ 0 0 -155.9 154.0 178.7 38.5 113.3 166.5 0 0.0 0 0.0 0 0.0 0 0.0 5 10
49 A 47 GLY G S S S- 0 0 102.8 -159.2 -178.2 -92.4 80.9 133.4 0 0.0 0 0.0 0 0.0 0 0.0 5 11
50 A 48 LYS K S S S+ 0 0 -145.4 3.3 -178.8 128.7 74.6 78.6 0 0.0 0 0.0 0 0.0 0 0.0 6 18
51 A 49 LYS K - 0 0 -68.2 133.7 176.1 -111.6 65.8 117.8 0 0.0 0 0.0 0 0.0 0 0.0 5 22
52 A 50 TRP W - 0 0 -68.7 127.7 176.2 -120.4 36.3 120.9 0 0.0 0 0.0 0 0.0 0 0.0 9 28
53 A 51 PRO P h > > T - 0 0 -65.4 153.1 -176.1 -105.9 24.4 100.8 0 0.0 57 -2.7 0 0.0 56 -0.8 9 24
54 A 52 ASP D H H > 3 TS+ 0 0 -47.1 -41.6 -176.6 52.9 121.0 36.1 0 0.0 58 -2.3 0 0.0 0 0.0 6 24
55 A 53 MET M H H > 3 TS+ 0 0 -65.5 -37.1 176.3 49.6 110.6 28.9 0 0.0 59 -1.8 0 0.0 0 0.0 8 26
56 A 54 LYS K H H > < TS+ 0 0 -65.6 -50.9 179.5 45.2 111.9 20.1 53 -0.8 60 -2.1 0 0.0 0 0.0 12 36
57 A 55 MET M H H X TS+ 0 0 -60.5 -36.4 -174.6 55.9 112.4 26.6 53 -2.7 61 -2.7 0 0.0 0 0.0 9 32
58 A 56 SER S H H X TS+ 0 0 -68.7 -39.3 -179.2 44.5 106.4 26.9 54 -2.3 62 -1.5 0 0.0 0 0.0 8 29
59 A 57 TYR Y H H X TS+ 0 0 -74.7 -28.9 178.5 59.6 109.7 28.8 55 -1.8 63 -2.3 0 0.0 0 0.0 10 39
60 A 58 PHE F H H X TS+ 0 0 -58.6 -51.5 178.5 45.6 106.6 9.7 56 -2.1 64 -2.3 0 0.0 0 0.0 9 46
61 A 59 HIS H H H X TS+ 0 0 -58.6 -34.5 -177.9 55.3 111.0 31.1 57 -2.7 65 -2.3 0 0.0 0 0.0 8 42
62 A 60 THR T H H X TS+ 0 0 -64.4 -45.2 -179.5 45.9 108.1 22.7 58 -1.5 66 -1.3 0 0.0 0 0.0 8 42
63 A 61 LEU L H H X TS+ 0 0 -64.9 -43.7 -178.1 50.7 113.5 26.7 59 -2.3 67 -1.4 0 0.0 0 0.0 12 56
64 A 62 LEU L H H X TS+ 0 0 -62.8 -47.3 -178.3 52.7 106.9 22.9 60 -2.3 68 -2.3 0 0.0 0 0.0 11 45
65 A 63 ALA A H H X TS+ 0 0 -62.3 -30.1 177.9 57.4 103.1 34.5 61 -2.3 69 -1.4 0 0.0 0 0.0 9 39
66 A 64 GLU E H H X TS+ 0 0 -64.6 -35.8 176.7 50.8 107.5 26.8 62 -1.3 70 -2.0 0 0.0 0 0.0 13 39
67 A 65 VAL V H H < TS+ 0 0 -62.7 -51.4 -177.6 40.7 114.6 20.0 63 -1.4 0 0.0 0 0.0 0 0.0 14 44
68 A 66 CYS C H H < TS+ 0 0 -81.0 -10.7 176.8 32.5 126.3 53.1 64 -2.3 0 0.0 0 0.0 0 0.0 9 35
69 A 67 THR T H H < TS- 0 0 -111.2 -30.2 -175.2 -140.1 89.3 53.9 65 -1.4 0 0.0 0 0.0 0 0.0 7 29
70 A 68 GLY G S h < TS+ 0 0 75.1 15.1 174.2 86.2 71.6 40.3 66 -2.0 0 0.0 0 0.0 0 0.0 11 33
71 A 69 VAL V - 0 0 -137.7 173.5 174.1 -151.7 59.0 157.7 0 0.0 0 0.0 0 0.0 0 0.0 9 30
72 A 70 ALA A - 0 0 -147.6 133.3 176.0 -124.4 19.7 169.9 0 0.0 0 0.0 0 0.0 0 0.0 6 34
73 A 71 PRO P - 0 0 -69.3 164.7 178.9 -115.3 27.4 107.4 0 0.0 0 0.0 0 0.0 0 0.0 4 26
74 A 72 GLU E - 0 0 -103.1 142.4 176.9 -162.2 24.8 142.2 0 0.0 0 0.0 0 0.0 0 0.0 5 24
75 A 73 VAL V - 0 0 -132.3 138.0 -177.7 -4.6 67.2 168.1 0 0.0 0 0.0 0 0.0 0 0.0 5 19
76 A 74 ASN N h > T - 0 0 46.0 61.3 177.2 -173.7 68.4 11.3 0 0.0 80 -2.2 0 0.0 0 0.0 6 16
77 A 75 ALA A H H > TS+ 0 0 -48.0 -45.1 -177.9 60.1 75.2 25.9 0 0.0 81 -3.2 0 0.0 0 0.0 7 17
78 A 76 LYS K H H > TS+ 0 0 -55.6 -49.4 179.3 42.4 106.4 25.5 0 0.0 82 -2.8 0 0.0 0 0.0 6 18
79 A 77 ALA A H H > TS+ 0 0 -65.8 -39.4 179.4 53.2 114.8 22.3 0 0.0 83 -3.2 0 0.0 0 0.0 9 27
80 A 78 LEU L H H X TS+ 0 0 -54.9 -53.2 179.9 45.8 110.9 23.5 76 -2.2 84 -2.2 0 0.0 0 0.0 9 25
81 A 79 ALA A H H X TS+ 0 0 -59.4 -46.5 177.0 52.1 111.9 23.0 77 -3.2 85 -3.2 0 0.0 0 0.0 8 24
82 A 80 TRP W H H X TS+ 0 0 -53.2 -60.3 178.9 44.9 112.2 12.0 78 -2.8 86 -1.8 0 0.0 0 0.0 10 32
83 A 81 GLY G H H X TS+ 0 0 -54.8 -37.2 -179.0 50.9 113.8 27.7 79 -3.2 87 -0.9 0 0.0 0 0.0 12 40
84 A 82 LYS K H H < TS+ 0 0 -70.8 -38.7 177.4 50.0 109.6 16.7 80 -2.2 0 0.0 0 0.0 0 0.0 8 39
85 A 83 GLN Q H H < TS+ 0 0 -63.4 -35.8 -171.3 40.9 114.3 32.5 81 -3.2 0 0.0 0 0.0 0 0.0 7 30
86 A 84 TYR Y H H X TS+ 0 0 -99.3 -4.8 179.4 98.1 84.0 61.2 82 -1.8 90 -3.4 0 0.0 0 0.0 11 37
87 A 85 GLU E H H X TS+ 0 0 -52.8 -41.3 -175.8 46.1 83.9 34.3 83 -0.9 91 -2.4 0 0.0 0 0.0 11 46
88 A 86 ASN N H H > TS+ 0 0 -73.3 -38.3 176.1 51.9 111.9 26.4 0 0.0 92 -2.3 0 0.0 0 0.0 7 40
89 A 87 ASP D H H > TS+ 0 0 -57.5 -50.3 179.3 48.0 112.2 20.4 0 0.0 93 -2.1 0 0.0 0 0.0 7 37
90 A 88 ALA A H H X TS+ 0 0 -58.6 -48.6 -178.2 51.6 109.5 22.7 86 -3.4 94 -2.7 0 0.0 0 0.0 13 48
91 A 89 ARG R H H X TS+ 0 0 -54.6 -55.1 -179.9 46.0 110.6 18.4 87 -2.4 95 -2.6 0 0.0 0 0.0 10 46
92 A 90 THR T H H X TS+ 0 0 -61.0 -36.8 176.4 49.7 113.0 29.6 88 -2.3 96 -1.9 0 0.0 0 0.0 8 39
93 A 91 LEU L H H X TS+ 0 0 -71.3 -33.6 174.2 52.3 110.5 24.6 89 -2.1 97 -2.5 0 0.0 0 0.0 9 41
94 A 92 PHE F H H X >TS+ 0 0 -61.7 -43.3 -178.3 52.0 107.1 18.8 90 -2.7 98 -2.9 0 0.0 99 -0.5 11 47
95 A 93 GLU E H H X 5TS+ 0 0 -59.9 -41.9 179.2 46.6 112.2 18.6 91 -2.6 99 -1.6 0 0.0 0 0.0 11 39
96 A 94 PHE F H H < 5TS+ 0 0 -63.1 -52.9 -177.5 42.5 116.4 20.8 92 -1.9 0 0.0 0 0.0 0 0.0 8 24
97 A 95 THR T H H < 5TS+ 0 0 -64.0 -40.0 -177.3 36.3 122.2 33.0 93 -2.5 0 0.0 0 0.0 0 0.0 6 30
98 A 96 SER S H H < 5TS- 0 0 -85.2 -28.0 -176.6 -132.1 99.8 44.4 94 -2.9 0 0.0 0 0.0 0 0.0 6 37
99 A 97 GLY G h < TS- 0 0 -164.0 -178.4 -177.7 -72.8 82.6 160.3 0 0.0 114 -1.6 0 0.0 0 0.0 10 34
112 A 110 GLU E T T 3 TS+ 0 0 -63.5 -14.2 -179.9 77.7 112.9 46.5 1 -3.1 0 0.0 0 0.0 0 0.0 10 30
113 A 111 SER S T T 3 TS- 0 0 -69.6 -20.7 -176.7 -146.0 85.2 42.7 0 0.0 0 0.0 0 0.0 0 0.0 7 41
114 A 112 MET M t < T + 0 0 60.2 21.3 -178.8 115.0 65.8 44.1 111 -1.6 0 0.0 0 0.0 0 0.0 9 53
115 A 113 ARG R S e S+ 0 0 -91.1 -21.3 -172.8 39.5 72.0 53.1 0 0.0 34 -2.3 0 0.0 0 0.0 11 59
116 A 114 THR T E E Aa + 34 0 -135.3 131.9 179.7 143.4 69.3 175.0 0 0.0 110 -2.3 0 0.0 0 0.0 12 59
117 A 115 ALA A E E AaC - 35 109 -160.0 172.8 174.5 -148.8 27.1 170.3 34 -2.7 36 -0.8 0 0.0 0 0.0 16 58
118 A 116 CYS C E E A C - 0 108 -144.0 162.7 179.9 -142.0 13.4 163.7 108 -2.3 108 -3.6 0 0.0 0 0.0 13 60
119 A 117 SER S - 0 0 -126.4 81.3 -176.9 -156.3 24.8 142.1 0 0.0 0 0.0 0 0.0 0 0.0 11 64
120 A 118 PRO P - 0 0 -60.8 151.8 174.1 -135.1 20.0 108.8 0 0.0 0 0.0 0 0.0 0 0.0 14 60
121 A 119 ASP D S S S- 0 0 -78.9 -11.8 176.0 -30.4 83.4 54.6 130 -2.5 0 0.0 0 0.0 0 0.0 10 61
122 A 120 GLY G E E B D - 0 130 172.2 167.3 172.0 -114.9 53.5 156.6 130 -0.8 130 -1.9 0 0.0 0 0.0 11 51
123 A 121 LEU L E E BBD - 103 129 -122.7 118.9 -172.9 -137.7 37.5 170.5 103 -3.0 103 -2.5 0 0.0 0 0.0 13 45
124 A 122 CYS C E E BB > T - 102 0 -87.2 146.5 177.9 -121.8 16.8 120.6 128 -2.9 127 -2.7 0 0.0 0 0.0 12 42
125 A 123 SER S T e 3 TS+ 0 0 -53.9 -23.2 179.6 58.3 113.0 37.9 101 -2.8 0 0.0 0 0.0 0 0.0 9 29
126 A 124 ASP D T T 3 TS- 0 0 -92.7 16.1 -176.4 -102.5 123.9 76.2 0 0.0 0 0.0 0 0.0 0 0.0 6 25
127 A 125 GLY G S t < TS+ 0 0 81.5 -4.1 -179.7 126.4 82.1 62.3 124 -2.7 0 0.0 0 0.0 0 0.0 7 33
128 A 126 ASN N e - 0 0 -89.9 154.3 175.5 -126.9 55.6 132.6 0 0.0 124 -2.9 0 0.0 0 0.0 12 45
129 A 127 GLY G E E BDe - 123 172 -84.3 174.3 179.9 -134.3 24.3 108.4 171 -1.6 173 -2.3 0 0.0 0 0.0 14 54
130 A 128 LEU L E E BDe - 122 173 -141.2 134.6 178.3 -173.0 18.5 169.8 122 -1.9 121 -2.5 0 0.0 122 -0.8 13 68
131 A 129 GLU E E E B e - 0 174 -124.0 119.7 -178.9 -172.2 11.6 169.3 173 -2.4 175 -2.9 0 0.0 133 -0.5 12 70
132 A 130 LEU L E E B e - 0 175 -115.3 113.8 173.9 -166.7 2.1 157.7 0 0.0 0 0.0 0 0.0 0 0.0 12 67
133 A 131 LYS K E E B e - 0 176 -100.9 145.5 172.6 -166.1 13.0 142.5 175 -3.0 177 -2.1 131 -0.5 0 0.0 10 64
134 A 132 CYS C - 0 0 -117.5 77.9 -178.8 -144.6 27.0 142.1 0 0.0 0 0.0 0 0.0 0 0.0 13 50
135 A 133 PRO P - 0 0 -50.8 133.3 179.5 -137.7 7.3 102.1 0 0.0 0 0.0 0 0.0 0 0.0 12 44
136 A 134 PHE F S S S+ 0 0 -59.7 -36.5 175.6 48.5 90.8 37.2 0 0.0 0 0.0 0 0.0 0 0.0 8 34
137 A 135 THR T S h > TS- 0 0 -105.0 139.9 176.7 -141.2 75.3 153.1 0 0.0 141 -1.3 0 0.0 0 0.0 6 27
138 A 136 SER S H H > TS+ 0 0 -66.7 -27.7 178.0 72.2 99.8 32.2 0 0.0 142 -3.2 0 0.0 0 0.0 9 31
139 A 137 ARG R H H > TS+ 0 0 -50.8 -43.8 178.0 48.8 99.0 21.8 0 0.0 143 -2.2 0 0.0 0 0.0 6 27
140 A 138 ASP D H H > TS+ 0 0 -67.6 -41.9 174.9 52.9 106.7 24.6 0 0.0 144 -2.1 0 0.0 0 0.0 9 36
141 A 139 PHE F H H X TS+ 0 0 -57.1 -44.1 -177.4 49.1 111.1 17.4 137 -1.3 145 -2.6 0 0.0 0 0.0 13 42
142 A 140 MET M H H X TS+ 0 0 -65.0 -36.5 178.7 58.4 104.8 27.3 138 -3.2 146 -1.7 0 0.0 0 0.0 8 34
143 A 141 LYS K H H X TS+ 0 0 -56.3 -47.7 -177.8 36.5 113.7 14.4 139 -2.2 147 -2.8 0 0.0 0 0.0 10 31
144 A 142 PHE F H H X TS+ 0 0 -72.7 -37.9 -176.4 60.0 111.1 31.8 140 -2.1 148 -3.2 0 0.0 0 0.0 12 39
145 A 143 ARG R H H < TS+ 0 0 -56.6 -40.4 -176.9 27.9 119.7 31.1 141 -2.6 0 0.0 0 0.0 0 0.0 10 35
146 A 144 LEU L H H < TS+ 0 0 -92.0 -37.2 -178.9 41.1 129.2 41.8 142 -1.7 0 0.0 0 0.0 0 0.0 6 25
147 A 145 GLY G H H < TS- 0 0 -92.0 -13.7 179.4 -178.7 82.3 51.3 143 -2.8 0 0.0 0 0.0 0 0.0 9 22
148 A 146 GLY G h X > T - 0 0 56.2 -147.9 176.9 -6.7 62.0 97.9 144 -3.2 151 -1.6 0 0.0 152 -1.2 11 30
149 A 147 PHE F G G 4 > TS+ 0 0 -39.0 -68.2 -176.8 52.1 134.3 21.4 0 0.0 152 -1.0 0 0.0 0 0.0 7 36
150 A 148 GLU E G G 4 3 TS+ 0 0 -56.2 -14.3 179.7 62.2 104.5 46.8 0 0.0 0 0.0 0 0.0 0 0.0 6 26
151 A 149 ALA A G G 4 < TS+ 0 0 -76.9 -39.9 178.4 97.0 81.7 30.9 148 -1.6 0 0.0 0 0.0 0 0.0 8 29
152 A 150 ILE I S g < < TS- 0 0 -60.2 114.2 178.0 -120.2 80.6 111.2 148 -1.2 0 0.0 149 -1.0 0 0.0 10 39
153 A 151 LYS K h > > T - 0 0 -58.6 136.0 177.7 -108.4 22.7 102.8 0 0.0 156 -3.2 0 0.0 157 -1.3 7 34
154 A 152 SER S H H > 3 TS+ 0 0 -25.8 -50.2 -178.3 62.1 118.2 45.2 0 0.0 158 -3.3 0 0.0 0 0.0 7 31
155 A 153 ALA A H H > 3 TS+ 0 0 -52.7 -41.7 175.8 50.1 105.2 31.4 0 0.0 159 -2.4 0 0.0 0 0.0 9 34
156 A 154 TYR Y H H > < TS+ 0 0 -66.6 -40.7 -179.9 48.9 109.2 33.5 153 -3.2 160 -2.2 0 0.0 0 0.0 9 52
157 A 155 MET M H H X TS+ 0 0 -67.2 -41.8 -178.5 48.0 112.1 21.0 153 -1.3 161 -3.0 0 0.0 0 0.0 9 52
158 A 156 ALA A H H X TS+ 0 0 -61.7 -40.9 177.6 52.0 111.6 18.5 154 -3.3 162 -3.4 0 0.0 0 0.0 12 53
159 A 157 GLN Q H H X TS+ 0 0 -58.8 -41.2 -178.0 46.3 111.3 29.2 155 -2.4 163 -1.6 0 0.0 0 0.0 13 57
160 A 158 VAL V H H X TS+ 0 0 -71.2 -40.4 178.4 46.9 114.5 22.4 156 -2.2 164 -1.2 0 0.0 0 0.0 13 61
161 A 159 GLN Q H H X TS+ 0 0 -67.6 -43.7 175.5 52.7 109.9 22.1 157 -3.0 165 -2.7 0 0.0 0 0.0 12 58
162 A 160 TYR Y H H X TS+ 0 0 -58.9 -39.0 180.0 56.4 104.6 26.0 158 -3.4 166 -3.2 0 0.0 0 0.0 14 64
163 A 161 SER S H H X TS+ 0 0 -60.4 -34.1 179.6 45.8 110.5 29.2 159 -1.6 167 -1.8 0 0.0 0 0.0 13 63
164 A 162 MET M H H X >TS+ 0 0 -74.7 -40.1 176.1 51.5 111.2 21.1 160 -1.2 168 -2.2 0 0.0 169 -0.9 14 56
165 A 163 TRP W H H < 5TS+ 0 0 -56.8 -52.4 178.5 44.9 113.7 23.0 161 -2.7 0 0.0 0 0.0 0 0.0 11 52
166 A 164 VAL V H H < 5TS+ 0 0 -59.7 -47.2 -174.3 31.6 124.6 21.9 162 -3.2 0 0.0 0 0.0 0 0.0 12 56
167 A 165 THR T H H < 5TS- 0 0 -90.2 -12.6 -174.9 -129.4 99.3 53.2 163 -1.8 0 0.0 0 0.0 0 0.0 9 52
168 A 166 ARG R T h < 5T + 0 0 65.7 36.9 176.2 146.4 54.8 30.7 164 -2.2 0 0.0 0 0.0 0 0.0 6 40
169 A 167 LYS K t T - 0 0 -138.9 104.0 -177.2 -169.1 9.8 151.7 185 -2.2 181 -1.9 0 0.0 0 0.0 11 42
179 A 177 PRO P T T 3 TS+ 0 0 -63.4 -18.3 -179.0 64.8 86.6 48.7 0 0.0 0 0.0 0 0.0 0 0.0 7 39
180 A 178 ARG R T T 3 TS+ 0 0 -82.4 -11.8 -177.4 109.2 75.6 55.4 0 0.0 0 0.0 0 0.0 0 0.0 6 29
181 A 179 MET M t < T - 0 0 -69.4 126.6 177.6 -142.2 67.9 122.0 178 -1.9 0 0.0 0 0.0 0 0.0 7 27
182 A 180 LYS K S S S- 0 0 -51.8 -42.7 178.5 -16.3 82.2 26.9 0 0.0 0 0.0 0 0.0 0 0.0 6 14
183 A 181 ARG R S S S+ 0 0 -152.0 169.2 -178.5 42.6 124.7 155.2 0 0.0 0 0.0 0 0.0 0 0.0 4 20
184 A 182 GLU E + 0 0 59.4 36.5 -176.5 155.8 62.1 30.3 0 0.0 0 0.0 0 0.0 0 0.0 6 28
185 A 183 GLY G e + 0 0 -82.7 11.6 179.2 68.0 50.8 65.7 0 0.0 178 -2.2 0 0.0 0 0.0 10 41
186 A 184 LEU L E E BF + 177 0 -127.8 129.0 175.4 166.0 53.7 169.4 0 0.0 0 0.0 0 0.0 0 0.0 11 47
187 A 185 HIS H E E BF + 176 0 -137.4 141.5 176.7 170.4 10.5 174.8 176 -2.2 176 -2.5 0 0.0 0 0.0 9 50
188 A 186 TYR Y E E BF - 175 0 -151.7 167.6 176.5 -163.9 18.2 168.1 0 0.0 0 0.0 0 0.0 0 0.0 10 52
189 A 187 VAL V E E BF - 174 0 -134.8 174.4 177.9 -119.8 23.3 147.9 174 -2.6 174 -2.5 0 0.0 0 0.0 9 43
190 A 188 VAL V E E BF - 173 0 -121.4 129.7 178.9 -159.4 20.8 165.9 0 0.0 0 0.0 0 0.0 0 0.0 8 46
191 A 189 ILE I E E BF - 172 0 -114.4 131.7 -175.1 -144.0 8.9 159.7 172 -3.9 172 -2.7 0 0.0 0 0.0 9 45
192 A 190 GLU E E E BF - 171 0 -91.2 151.5 178.5 -92.0 31.9 130.1 0 0.0 0 0.0 0 0.0 0 0.0 7 36
193 A 191 ARG R e - 0 0 -58.4 142.2 178.5 -149.6 38.4 105.6 170 -3.5 195 -0.5 0 0.0 0 0.0 10 36
194 A 192 ASP D h > > T - 0 0 -125.4 113.2 179.5 -160.4 11.7 150.1 0 0.0 197 -1.7 0 0.0 198 -1.5 7 31
195 A 193 GLU E H H > 3 TS+ 0 0 -52.5 -36.0 176.4 64.7 91.4 41.7 193 -0.5 199 -2.7 0 0.0 0 0.0 6 25
196 A 194 LYS K H H > 3 TS+ 0 0 -58.8 -35.2 176.2 41.4 108.8 27.8 0 0.0 200 -1.3 0 0.0 0 0.0 6 25
197 A 195 TYR Y H H > < TS+ 0 0 -75.9 -41.5 179.0 56.7 110.6 26.8 194 -1.7 201 -2.6 0 0.0 0 0.0 10 40
198 A 196 MET M H H X TS+ 0 0 -51.4 -49.0 -178.6 47.1 109.5 21.5 194 -1.5 202 -2.9 0 0.0 0 0.0 11 37
199 A 197 ALA A H H X TS+ 0 0 -63.0 -47.0 179.1 52.8 108.1 24.6 195 -2.7 203 -2.1 0 0.0 0 0.0 8 25
200 A 198 SER S H H X TS+ 0 0 -55.8 -46.8 -179.7 48.0 111.3 18.2 196 -1.3 204 -2.9 0 0.0 0 0.0 10 33
201 A 199 PHE F H H X TS+ 0 0 -59.3 -49.4 178.4 56.4 108.4 13.2 197 -2.6 205 -2.2 0 0.0 0 0.0 12 46
202 A 200 ASP D H H < TS+ 0 0 -53.2 -35.7 -179.4 34.6 116.4 32.5 198 -2.9 0 0.0 0 0.0 0 0.0 8 35
203 A 201 GLU E H H X TS+ 0 0 -86.2 -52.2 -173.6 36.2 123.8 15.3 199 -2.1 207 -0.9 0 0.0 0 0.0 8 25
204 A 202 ILE I H H X TS+ 0 0 -69.4 -42.8 -173.7 60.4 107.6 33.4 200 -2.9 208 -1.8 0 0.0 0 0.0 10 37
205 A 203 VAL V H H X TS+ 0 0 -57.7 -49.9 -178.2 51.5 101.1 20.9 201 -2.2 209 -2.3 0 0.0 0 0.0 11 51
206 A 204 PRO P H H > TS+ 0 0 -56.2 -40.7 175.9 50.3 110.7 22.7 0 0.0 210 -1.8 0 0.0 0 0.0 9 33
207 A 205 GLU E H H X TS+ 0 0 -64.1 -38.3 179.9 54.4 105.8 30.5 203 -0.9 211 -1.9 0 0.0 0 0.0 8 31
208 A 206 PHE F H H X TS+ 0 0 -61.8 -43.2 175.6 53.9 106.4 20.0 204 -1.8 212 -2.1 0 0.0 0 0.0 9 45
209 A 207 ILE I H H X TS+ 0 0 -54.4 -47.8 176.1 51.5 106.9 22.1 205 -2.3 213 -2.6 0 0.0 0 0.0 9 43
210 A 208 GLU E H H X TS+ 0 0 -58.1 -42.7 178.1 51.2 107.9 28.1 206 -1.8 214 -2.4 0 0.0 0 0.0 8 31
211 A 209 LYS K H H X TS+ 0 0 -63.3 -40.2 -179.4 51.4 109.6 32.3 207 -1.9 215 -2.1 0 0.0 0 0.0 8 37
212 A 210 MET M H H X TS+ 0 0 -62.2 -48.9 177.7 51.0 107.8 17.6 208 -2.1 216 -2.6 0 0.0 0 0.0 10 44
213 A 211 ASP D H H X TS+ 0 0 -54.7 -39.5 177.6 51.3 110.5 26.6 209 -2.6 217 -1.7 0 0.0 0 0.0 10 35
214 A 212 GLU E H H X TS+ 0 0 -66.1 -43.8 -179.7 47.0 110.0 22.4 210 -2.4 218 -1.5 0 0.0 0 0.0 8 24
215 A 213 ALA A H H X TS+ 0 0 -66.9 -39.6 -180.0 50.3 111.6 30.1 211 -2.1 219 -0.7 0 0.0 0 0.0 8 30
216 A 214 LEU L H H < >>TS+ 0 0 -65.5 -40.5 -178.4 51.8 108.8 29.8 212 -2.6 221 -3.9 0 0.0 219 -0.7 12 31
217 A 215 ALA A H H < >5TS+ 0 0 -62.1 -37.6 -178.2 62.4 102.1 23.9 213 -1.7 220 -2.0 0 0.0 0 0.0 9 20
218 A 216 GLU E H H < 35TS+ 0 0 -62.5 -23.5 178.9 36.1 110.9 39.2 214 -1.5 0 0.0 0 0.0 0 0.0 7 18
219 A 217 ILE I T h < <5TS- 0 0 -114.4 15.6 177.3 -105.9 122.5 77.5 216 -0.7 0 0.0 215 -0.7 0 0.0 6 20
220 A 218 GLY G T T <5TS+ 0 0 71.5 33.5 178.9 123.5 76.9 45.0 217 -2.0 0 0.0 0 0.0 0 0.0 6 19
221 A 219 PHE F t T - 0 0 -126.4 142.9 179.8 -98.5 31.1 165.2 0 0.0 225 -2.0 0 0.0 0 0.0 8 33
223 A 221 PHE F T T 3 TS+ 0 0 -53.2 133.2 179.5 41.2 109.4 108.8 0 0.0 0 0.0 0 0.0 0 0.0 9 46
224 A 222 GLY G T g > TS+ 0 0 115.6 -24.0 -177.2 114.3 71.8 80.1 0 0.0 227 -2.7 0 0.0 0 0.0 8 42
225 A 223 GLU E G G X T + 0 0 -56.1 -18.8 -177.7 72.9 68.3 40.6 222 -2.0 228 -1.3 0 0.0 0 0.0 10 34
226 A 224 GLN Q G G 3 TS+ 0 0 -69.0 -18.5 -177.8 50.6 94.0 47.9 0 0.0 0 0.0 0 0.0 0 0.0 13 37
227 A 225 TRP W G G < T 0 0 -102.9 4.6 178.4 999.9 999.9 71.6 224 -2.7 0 0.0 0 0.0 0 0.0 8 39
228 A 226 ARG R g < T 0 0 -56.2 999.9 999.9 999.9 999.9 31.5 225 -1.3 0 0.0 0 0.0 0 0.0 5 26
1avqA.pdb
1AVQ DEOXYRIBONUCLEASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHH GGG TTSHHHHHTTTT EETTTGGGTT SSSS HHHHHHHHHHHHHHHHS HHHHHHHHHHHHHHHHHHHHHH Kabs/Sand
chirality ---+++++++-+--+++--++-+++++++++---++++++++----+-+---+++++++++++++++-+------+++++++++++++++++++++-+- chirality
bends SSSSSSSS SSS SSSSSSSSSSSS SSS SSSS SSSS SSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTTTTTTTT TTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >>3<<>33< >>3X<3< >33X>3X<3< >33< 3-turns
bridge-2 bridge-2
bridge-1 aa bridge-1
sheets AA sheets
4-turns >>>>XX<<<< >444< >>>4X<<4< >444X444< >>>>XXXXXXXXXX<<<< >>>>XXXX<>XXXXXX<<<< 4-turns
summary hHHHHHHHHh gGGGgtTThHHHHHhTTTtEEeTgGGGgTt SSSS hHHHHHHHHHHHHHHHHh hHHHHHHHHHHHHHHHHHHHHHHh summary
sequence SHMTPDIILQRTGIDVRAVEQGDDAWHKLRLGVITASEVHNVIAKPRSGKKWPDMKMSYFHTLLAEVCTGVAPEVNAKALAWGKQYENDARTLFEFTSGV sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EE EESSTT SEEE SEEETTS EEEEE SSHHHHHHHHHH GGGS HHHHHHHHHHHHHHT SEEEEEEE TT SS EEEEEEE HHHHHH Kabs/Sand
chirality -----------+-+++--------+-+--------+-+++++++++--+++--+++++++++++++-+-+---+----++--+++++-------++++++ chirality
bends SSSS S S SSS SSSSSSSSSSSS SSSS SSSSSSSSSSSSSS S SS SS SSSSSS bends
turns TTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >>3<<>33< >33< >33< 3-turns
bridge-2 CC DD eeeee FFFFFFF bridge-2
bridge-1 BB CC aa BB DD eeeee FFFFFFF bridge-1
sheets BB AA AAA BBB BBBBB BBBBBBB BBBBBBB sheets
4-turns >>>>XXXX<<>>>XXXXXXXX<<<< >>>>XXX 4-turns
summary eEE EEetTTteEEE SEEEeTteEEEEE ShHHHHHHHHHHhGGGghHHHHHHHHHHHHHHhteEEEEEEEeTTtSS eEEEEEEEehHHHHHH summary
sequence NVTESPIIYRDESMRTACSPDGLCSDGNGLELKCPFTSRDFMKFRLGGFEAIKSAYMAQVQYSMWVTRKNAWYFANYDPRMKREGLHYVVIERDEKYMAS sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHHHHHHHHHHTT TTGGG Kabs/Sand
chirality ++++++++++++++++++-+--++++ chirality
bends SSSSSSSSSSSSSSSSSSSS SS S bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >>3<< >3>X3<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XXXXXXXXXX<<<< 4-turns
summary HHHHHHHHHHHHHHHHHHhTttTgGGGg summary
sequence FDEIVPEFIEKMDEALAEIGFVFGEQWR sequence
210 220