Secondary structure calculation program - copyright by David Keith Smith, 1989
1ar1B.pdb
1AR1 COMPLEX (OXIDOREDUCTASE/ANTIBODY) MOL_ID: 1; MOL_ID: 1;
Sequence length - 252
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 B 1 GLN Q 0 0 999.9 -179.5 -178.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 40
2 B 2 ASP D + 0 0 -71.6 -65.2 179.0 24.3 999.9 6.1 0 0.0 0 0.0 0 0.0 0 0.0 4 28
3 B 3 VAL V S S S+ 0 0 -66.9 -42.4 177.2 64.0 117.7 27.5 0 0.0 5 -2.6 0 0.0 0 0.0 7 33
4 B 4 LEU L S S S+ 0 0 -79.3 66.9 -177.4 160.4 85.3 117.9 0 0.0 0 0.0 0 0.0 0 0.0 10 41
5 B 5 GLY G - 0 0 -103.8 144.7 177.0 -8.9 51.7 141.0 3 -2.6 0 0.0 0 0.0 0 0.0 6 31
6 B 6 ASP D S S S+ 0 0 48.3 39.8 177.2 171.0 77.4 36.8 0 0.0 0 0.0 0 0.0 0 0.0 4 27
7 B 7 LEU L - 0 0 -74.8 143.7 179.8 -113.4 35.5 122.4 0 0.0 0 0.0 0 0.0 0 0.0 10 39
8 B 8 PRO P e - 0 0 -79.6 152.2 179.5 -118.2 22.0 123.2 0 0.0 211 -3.1 0 0.0 10 -0.8 7 36
9 B 9 VAL V E E Aa + 211 0 -92.0 106.8 -177.5 149.0 49.8 143.9 0 0.0 0 0.0 0 0.0 0 0.0 8 46
10 B 10 ILE I E E A* + 0 0 -100.6 -73.4 180.0 58.4 54.5 25.5 211 -2.0 12 -2.5 8 -0.8 0 0.0 10 44
11 B 11 GLY G E E Aa S+ 212 0 -64.6 76.7 -178.9 117.5 80.4 114.1 211 -0.8 213 -3.0 0 0.0 0 0.0 13 53
12 B 12 LYS K - 0 0 -147.4 130.8 179.6 -114.3 66.4 171.4 10 -2.5 0 0.0 0 0.0 0 0.0 9 47
13 B 13 PRO P - 0 0 -62.5 159.2 179.7 -138.5 28.5 102.8 0 0.0 0 0.0 0 0.0 0 0.0 6 38
14 B 14 VAL V t > T - 0 0 -118.4 146.1 -179.9 -96.8 26.2 157.8 0 0.0 17 -1.9 0 0.0 0 0.0 5 26
15 B 15 ASN N T T 3 TS+ 0 0 -66.9 135.0 179.6 6.0 107.9 113.6 0 0.0 0 0.0 0 0.0 0 0.0 4 16
16 B 16 GLY G T T 3 TS+ 0 0 73.3 7.7 -179.3 158.1 93.0 57.7 0 0.0 0 0.0 0 0.0 0 0.0 4 10
17 B 17 GLY G t < T - 0 0 -66.7 147.2 -179.8 -178.2 25.9 110.0 14 -1.9 0 0.0 0 0.0 0 0.0 6 14
18 B 18 MET M + 0 0 -119.0 -14.2 -177.9 57.9 61.6 62.8 0 0.0 0 0.0 0 0.0 0 0.0 4 15
19 B 19 ASN N S S S- 0 0 -112.1 -175.4 -179.5 -69.7 91.4 119.3 0 0.0 0 0.0 0 0.0 0 0.0 4 26
20 B 20 PHE F - 0 0 -69.7 168.2 177.5 -95.2 51.8 94.8 0 0.0 0 0.0 0 0.0 0 0.0 7 37
21 B 21 GLN Q - 0 0 -79.7 155.5 -180.0 -65.3 66.4 119.0 0 0.0 0 0.0 0 0.0 0 0.0 10 41
22 B 22 PRO P - 0 0 -44.3 117.9 179.1 -114.8 58.3 101.9 0 0.0 0 0.0 0 0.0 0 0.0 7 42
23 B 23 ALA A + 0 0 -58.1 120.7 -176.5 168.4 45.8 117.2 0 0.0 0 0.0 0 0.0 0 0.0 12 44
24 B 24 SER S + 0 0 -128.9 21.1 176.9 47.2 52.1 80.3 187 -2.6 207 -2.1 0 0.0 0 0.0 12 50
25 B 25 SER S S h > TS- 0 0 -151.4 158.5 179.3 -107.4 87.1 163.3 0 0.0 29 -1.9 0 0.0 0 0.0 13 51
26 B 26 PRO P H H > TS+ 0 0 -53.7 -43.4 -179.8 51.8 122.8 17.4 0 0.0 30 -2.4 0 0.0 0 0.0 12 42
27 B 27 LEU L H H > TS+ 0 0 -59.8 -41.2 179.0 54.3 105.0 35.0 0 0.0 31 -3.1 0 0.0 0 0.0 13 49
28 B 28 ALA A H H > TS+ 0 0 -62.8 -36.7 178.8 51.1 108.8 29.1 0 0.0 32 -3.0 0 0.0 0 0.0 12 45
29 B 29 HIS H H H X TS+ 0 0 -65.2 -52.8 177.3 42.3 113.1 16.1 25 -1.9 33 -1.7 0 0.0 0 0.0 10 37
30 B 30 ASP D H H X > TS+ 0 0 -55.3 -56.1 -178.8 48.9 117.5 12.4 26 -2.4 34 -3.1 0 0.0 33 -0.6 9 41
31 B 31 GLN Q H H X 3 TS+ 0 0 -52.7 -48.8 -178.3 46.5 111.7 25.7 27 -3.1 35 -2.5 0 0.0 0 0.0 10 40
32 B 32 GLN Q H H X 3 TS+ 0 0 -69.1 -24.5 178.7 48.8 115.1 38.0 28 -3.0 36 -1.6 0 0.0 0 0.0 10 35
33 B 33 TRP W H H X < TS+ 0 0 -73.8 -58.7 179.9 45.7 112.1 14.4 29 -1.7 37 -3.0 30 -0.6 0 0.0 8 36
34 B 34 LEU L H H X TS+ 0 0 -52.5 -37.1 -179.8 53.0 113.0 30.3 30 -3.1 38 -2.7 0 0.0 0 0.0 10 37
35 B 35 ASP D H H X TS+ 0 0 -66.2 -44.1 179.9 46.4 110.0 21.5 31 -2.5 39 -2.0 0 0.0 0 0.0 8 36
36 B 36 HIS H H H X TS+ 0 0 -63.2 -40.2 179.3 52.8 111.8 26.6 32 -1.6 40 -1.9 0 0.0 0 0.0 8 28
37 B 37 PHE F H H X > TS+ 0 0 -57.5 -60.0 -179.5 42.1 112.8 8.2 33 -3.0 41 -1.7 0 0.0 40 -0.5 8 30
38 B 38 VAL V H H X 3 TS+ 0 0 -59.6 -29.9 -179.9 64.6 107.2 36.9 34 -2.7 42 -2.5 0 0.0 0 0.0 9 30
39 B 39 LEU L H H X 3 TS+ 0 0 -60.6 -47.4 -179.6 46.6 102.7 15.1 35 -2.0 43 -2.3 0 0.0 0 0.0 8 28
40 B 40 TYR Y H H X < TS+ 0 0 -61.1 -44.2 178.7 52.5 111.0 21.1 36 -1.9 44 -2.9 37 -0.5 0 0.0 8 22
41 B 41 ILE I H H X TS+ 0 0 -56.6 -50.9 -179.1 40.9 114.3 20.4 37 -1.7 45 -2.8 0 0.0 0 0.0 9 30
42 B 42 ILE I H H X TS+ 0 0 -72.2 -24.6 177.5 52.2 114.5 40.4 38 -2.5 46 -2.2 0 0.0 0 0.0 8 27
43 B 43 THR T H H X TS+ 0 0 -75.0 -38.9 178.5 49.5 110.1 25.3 39 -2.3 47 -3.0 0 0.0 0 0.0 8 20
44 B 44 ALA A H H X TS+ 0 0 -58.7 -55.9 179.2 46.9 112.8 9.7 40 -2.9 48 -3.2 0 0.0 0 0.0 8 21
45 B 45 VAL V H H X TS+ 0 0 -53.1 -45.1 -179.5 49.7 112.7 25.0 41 -2.8 49 -2.1 0 0.0 0 0.0 8 26
46 B 46 THR T H H X TS+ 0 0 -63.5 -39.4 179.7 47.8 111.7 24.5 42 -2.2 50 -1.7 0 0.0 0 0.0 8 18
47 B 47 ILE I H H X TS+ 0 0 -66.4 -40.8 -179.5 57.6 108.2 22.9 43 -3.0 51 -1.9 0 0.0 0 0.0 8 17
48 B 48 PHE F H H X > TS+ 0 0 -52.7 -62.1 -179.5 38.5 111.1 15.7 44 -3.2 52 -2.2 0 0.0 51 -1.1 8 21
49 B 49 VAL V H H X 3 TS+ 0 0 -61.3 -28.4 179.4 60.6 111.9 36.1 45 -2.1 53 -2.3 0 0.0 0 0.0 8 19
50 B 50 CYS C H H X 3 TS+ 0 0 -67.5 -30.5 178.6 45.6 107.3 31.3 46 -1.7 54 -1.6 0 0.0 0 0.0 8 17
51 B 51 LEU L H H X < TS+ 0 0 -73.0 -55.7 179.0 52.0 109.6 15.2 47 -1.9 55 -2.6 48 -1.1 0 0.0 8 18
52 B 52 LEU L H H X TS+ 0 0 -46.2 -46.4 179.6 48.5 112.1 26.1 48 -2.2 56 -2.7 0 0.0 0 0.0 8 18
53 B 53 LEU L H H X TS+ 0 0 -62.9 -43.1 179.7 51.7 109.1 26.4 49 -2.3 57 -2.0 0 0.0 0 0.0 8 16
54 B 54 LEU L H H X TS+ 0 0 -62.7 -34.0 178.8 50.9 109.7 31.1 50 -1.6 58 -2.0 0 0.0 0 0.0 8 16
55 B 55 ILE I H H X >TS+ 0 0 -67.3 -50.3 178.0 50.8 108.1 15.6 51 -2.6 59 -3.1 0 0.0 60 -0.7 9 18
56 B 56 CYS C H H X 5TS+ 0 0 -54.3 -36.9 -179.6 52.3 110.6 30.7 52 -2.7 60 -1.0 0 0.0 0 0.0 9 21
57 B 57 ILE I H H < 5TS+ 0 0 -68.4 -43.5 -177.6 30.0 120.3 22.1 53 -2.0 0 0.0 0 0.0 0 0.0 8 18
58 B 58 VAL V H H < 5TS+ 0 0 -84.1 -48.5 -178.2 29.7 131.5 20.5 54 -2.0 0 0.0 0 0.0 0 0.0 8 16
59 B 59 ARG R H H < 5TS+ 0 0 -89.9 -8.8 -177.5 45.7 123.2 54.5 55 -3.1 0 0.0 0 0.0 0 0.0 8 18
60 B 60 PHE F S h < > TS- 0 0 -72.7 155.3 -179.0 -108.7 76.6 113.9 0 0.0 65 -3.3 0 0.0 64 -0.8 10 17
62 B 62 ARG R T T 4 3 TS+ 0 0 -51.4 -38.8 -179.5 53.7 121.0 28.6 0 0.0 0 0.0 0 0.0 0 0.0 7 14
63 B 63 ARG R T T 4 3 TS+ 0 0 -66.5 -34.8 -179.3 34.7 117.5 33.8 0 0.0 0 0.0 0 0.0 0 0.0 6 13
64 B 64 ALA A T T 4 < TS+ 0 0 -86.3 -44.8 179.0 30.3 130.9 29.6 61 -0.8 0 0.0 0 0.0 0 0.0 8 15
65 B 65 ASN N t < T + 0 0 -118.5 94.4 -178.6 173.5 67.1 155.9 61 -3.3 0 0.0 0 0.0 0 0.0 9 15
66 B 66 PRO P + 0 0 -77.0 -16.5 -179.8 55.9 69.3 52.6 0 0.0 0 0.0 0 0.0 0 0.0 7 14
67 B 67 VAL V S S S- 0 0 -125.4 99.2 179.8 -144.4 80.8 147.7 0 0.0 0 0.0 0 0.0 0 0.0 5 13
68 B 68 PRO P - 0 0 -57.7 139.3 176.9 -124.5 19.3 103.8 0 0.0 0 0.0 0 0.0 0 0.0 5 15
69 B 69 ALA A - 0 0 -72.2 -177.3 -178.0 -135.8 13.5 99.6 0 0.0 0 0.0 0 0.0 0 0.0 4 15
70 B 70 ARG R + 0 0 -131.7 16.5 179.0 137.3 48.3 76.3 0 0.0 0 0.0 0 0.0 0 0.0 4 10
71 B 71 PHE F - 0 0 -65.8 143.2 -178.4 -179.9 23.5 111.6 0 0.0 0 0.0 0 0.0 0 0.0 5 11
72 B 72 THR T + 0 0 -130.0 14.5 177.5 3.5 62.6 81.6 0 0.0 0 0.0 0 0.0 0 0.0 4 10
73 B 73 HIS H - 0 0 171.3 155.9 -178.3 -173.2 38.1 142.9 0 0.0 0 0.0 0 0.0 0 0.0 5 13
74 B 74 ASN N t > T - 0 0 -159.4 47.6 -177.9 -168.9 17.6 99.3 0 0.0 77 -3.6 0 0.0 0 0.0 7 13
75 B 75 THR T T h > 3 TS+ 0 0 -17.2 -45.1 178.1 64.1 80.9 61.6 0 0.0 79 -2.9 0 0.0 0 0.0 6 12
76 B 76 PRO P H H > 3 TS+ 0 0 -57.1 -31.4 176.4 44.5 109.6 23.7 0 0.0 80 -2.4 0 0.0 0 0.0 6 13
77 B 77 ILE I H H > < TS+ 0 0 -71.3 -40.7 178.0 59.2 106.6 28.5 74 -3.6 81 -3.7 0 0.0 0 0.0 7 14
78 B 78 GLU E H H 4 TS+ 0 0 -52.9 -43.2 179.5 41.5 111.9 21.5 0 0.0 0 0.0 0 0.0 0 0.0 9 15
79 B 79 VAL V H H X > TS+ 0 0 -72.0 -42.8 179.7 50.7 114.7 24.6 75 -2.9 83 -2.6 0 0.0 82 -1.5 8 14
80 B 80 ILE I H H X 3 TS+ 0 0 -59.3 -56.5 -179.8 46.9 111.0 11.8 76 -2.4 84 -2.1 0 0.0 0 0.0 8 15
81 B 81 TRP W H H < 3 TS+ 0 0 -74.6 23.0 176.4 48.9 116.2 79.8 77 -3.7 0 0.0 0 0.0 0 0.0 8 20
82 B 82 THR T H H > < TS+ 0 0 -123.4 -39.7 179.8 47.6 108.6 55.0 79 -1.5 86 -1.4 0 0.0 0 0.0 8 18
83 B 83 LEU L H H X TS+ 0 0 -71.5 -41.8 -179.5 60.3 105.9 24.4 79 -2.6 87 -2.8 0 0.0 0 0.0 8 16
84 B 84 VAL V H H X TS+ 0 0 -52.0 -58.9 179.2 44.9 105.5 19.8 80 -2.1 88 -2.9 0 0.0 0 0.0 8 23
85 B 85 PRO P H H > TS+ 0 0 -52.3 -48.3 179.5 54.3 111.9 17.3 0 0.0 89 -3.2 0 0.0 0 0.0 8 26
86 B 86 VAL V H H X TS+ 0 0 -50.2 -50.5 -179.6 46.1 110.6 21.8 82 -1.4 90 -2.4 0 0.0 0 0.0 8 19
87 B 87 LEU L H H X TS+ 0 0 -57.8 -54.8 179.7 50.2 111.9 15.7 83 -2.8 91 -3.1 0 0.0 0 0.0 8 20
88 B 88 ILE I H H X TS+ 0 0 -49.9 -48.1 179.8 45.0 113.6 27.6 84 -2.9 92 -2.9 0 0.0 0 0.0 9 29
89 B 89 LEU L H H X TS+ 0 0 -66.7 -32.9 178.4 51.1 113.3 34.0 85 -3.2 93 -2.9 0 0.0 0 0.0 8 26
90 B 90 VAL V H H X TS+ 0 0 -69.9 -35.3 179.0 50.7 109.9 28.9 86 -2.4 94 -1.8 0 0.0 0 0.0 8 21
91 B 91 ALA A H H X TS+ 0 0 -64.5 -54.0 179.3 42.9 114.2 13.6 87 -3.1 95 -0.8 0 0.0 0 0.0 8 26
92 B 92 ILE I H H X > TS+ 0 0 -57.0 -53.0 -179.9 52.5 112.4 17.7 88 -2.9 96 -2.6 0 0.0 95 -1.8 9 32
93 B 93 GLY G H H X 3 TS+ 0 0 -53.8 -32.2 -179.3 64.3 101.0 33.4 89 -2.9 97 -1.8 0 0.0 0 0.0 8 27
94 B 94 ALA A H H < 3 TS+ 0 0 -63.6 -29.0 -179.8 29.2 114.4 40.1 90 -1.8 0 0.0 0 0.0 0 0.0 8 24
95 B 95 PHE F H H X < TS+ 0 0 -100.4 -40.6 -179.4 53.8 116.9 37.5 92 -1.8 99 -1.2 91 -0.8 0 0.0 9 30
96 B 96 SER S H H X TS+ 0 0 -64.1 -34.7 -177.9 63.8 102.1 29.9 92 -2.6 100 -1.9 0 0.0 0 0.0 9 30
97 B 97 LEU L H H X TS+ 0 0 -56.5 -59.6 -179.7 41.5 103.3 17.8 93 -1.8 101 -1.7 0 0.0 0 0.0 8 25
98 B 98 PRO P H H > TS+ 0 0 -60.7 -28.8 178.4 54.8 114.5 34.0 0 0.0 102 -1.9 0 0.0 0 0.0 8 23
99 B 99 ILE I H H X TS+ 0 0 -70.0 -35.7 179.1 53.5 104.9 33.7 95 -1.2 103 -1.8 0 0.0 0 0.0 11 34
100 B 100 LEU L H H X TS+ 0 0 -64.5 -44.4 179.9 45.4 111.1 25.4 96 -1.9 104 -2.7 0 0.0 0 0.0 8 31
101 B 101 PHE F H H X TS+ 0 0 -65.7 -44.4 179.6 54.2 109.8 27.2 97 -1.7 105 -0.8 0 0.0 0 0.0 8 26
102 B 102 ARG R H H < TS+ 0 0 -57.7 -40.2 -178.2 38.1 117.0 26.1 98 -1.9 0 0.0 0 0.0 0 0.0 8 33
103 B 103 SER S H H < TS+ 0 0 -82.0 -38.9 -177.3 43.7 119.6 31.2 99 -1.8 0 0.0 0 0.0 0 0.0 9 45
104 B 104 GLN Q H H < TS+ 0 0 -93.9 10.1 177.7 91.4 91.7 71.4 100 -2.7 106 -0.7 0 0.0 0 0.0 7 35
105 B 105 GLU E S h < TS- 0 0 -106.8 105.1 -178.7 -141.3 73.8 155.3 101 -0.8 0 0.0 0 0.0 0 0.0 6 29
106 B 106 MET M - 0 0 -67.4 142.4 179.3 -108.0 20.1 113.8 104 -0.7 0 0.0 0 0.0 0 0.0 9 34
107 B 107 PRO P - 0 0 -70.3 148.8 -179.7 -141.4 12.6 111.4 0 0.0 0 0.0 0 0.0 0 0.0 8 27
108 B 108 ASN N S S S+ 0 0 -82.5 -20.5 -178.6 39.4 97.0 45.2 0 0.0 0 0.0 0 0.0 0 0.0 4 21
109 B 109 ASP D S S S- 0 0 -131.6 70.0 179.9 -175.4 75.6 123.8 0 0.0 0 0.0 0 0.0 0 0.0 4 20
110 B 110 PRO P - 0 0 -67.9 139.6 179.8 -143.6 23.6 112.5 0 0.0 0 0.0 0 0.0 0 0.0 10 31
111 B 111 ASP D S S S+ 0 0 -71.6 -28.0 179.9 18.5 89.6 36.7 169 -1.5 0 0.0 0 0.0 0 0.0 8 36
112 B 112 LEU L E E Bb - 170 0 -148.3 125.5 178.4 -163.6 67.2 166.2 169 -1.6 171 -2.7 0 0.0 114 -0.5 9 45
113 B 113 VAL V E E Bb + 171 0 -110.8 121.2 177.4 172.2 17.5 161.6 0 0.0 0 0.0 0 0.0 0 0.0 12 42
114 B 114 ILE I E E Bb - 172 0 -126.8 160.5 -178.8 -137.2 23.3 155.4 171 -2.5 173 -2.4 112 -0.5 0 0.0 12 58
115 B 115 LYS K E E BbC - 173 126 -121.9 126.7 178.5 -160.0 10.3 166.0 126 -2.7 126 -1.8 0 0.0 0 0.0 11 56
116 B 116 ALA A E E BbC - 174 125 -105.3 131.5 -179.3 -165.5 7.0 157.7 173 -2.5 175 -1.3 0 0.0 0 0.0 13 67
117 B 117 ILE I E E BbC - 175 124 -122.8 117.5 -180.0 -144.8 10.7 166.0 124 -2.1 124 -2.4 0 0.0 0 0.0 12 58
118 B 118 GLY G E E BbC - 176 123 -82.6 130.2 -179.7 -176.8 22.2 131.0 175 -2.9 177 -2.0 0 0.0 178 -0.5 19 60
119 B 119 HIS H E E B C> T - 0 122 -127.8 152.4 179.2 -77.8 47.2 161.5 122 -2.1 122 -2.3 0 0.0 121 -1.1 12 48
120 B 120 GLN Q T T 3 TS- 0 0 -51.3 84.2 176.0 -14.4 120.2 104.7 0 0.0 0 0.0 0 0.0 0 0.0 9 40
121 B 121 TRP W T T 3 TS+ 0 0 87.3 34.9 175.7 50.9 128.4 49.0 119 -1.1 0 0.0 0 0.0 0 0.0 12 46
122 B 122 TYR Y E E BC < TS- 119 0 -179.9 159.8 -179.9 -114.2 70.9 160.3 119 -2.3 119 -2.1 0 0.0 0 0.0 13 56
123 B 123 TRP W E E BCD - 118 136 -110.5 150.3 179.9 -163.2 17.3 148.0 136 -2.2 136 -3.3 0 0.0 0 0.0 14 63
124 B 124 SER S E E BCD - 117 135 -133.9 121.7 -179.0 -167.3 10.5 170.5 117 -2.4 117 -2.1 0 0.0 0 0.0 12 52
125 B 125 TYR Y E E BCD - 116 134 -109.4 160.0 178.3 -168.5 6.5 135.1 134 -2.2 134 -1.7 0 0.0 0 0.0 13 58
126 B 126 GLU E E E BCD - 115 133 -147.3 133.7 176.3 -150.4 19.2 171.1 115 -1.8 115 -2.7 0 0.0 0 0.0 12 45
127 B 127 TYR Y E E B D>>T - 0 132 -103.6 79.5 -178.0 -168.1 23.0 138.2 132 -2.2 130 -2.8 0 0.0 132 -0.8 11 46
128 B 128 PRO P G G >5TS+ 0 0 -32.3 -61.6 -177.3 39.9 82.2 37.9 0 0.0 131 -1.0 0 0.0 0 0.0 9 33
129 B 129 ASN N G G 35TS+ 0 0 -77.0 -1.6 -177.8 50.4 118.5 60.7 0 0.0 0 0.0 0 0.0 0 0.0 5 29
130 B 130 ASP D G G <5TS- 0 0 -120.4 8.7 179.9 -121.3 101.2 72.9 127 -2.8 0 0.0 0 0.0 0 0.0 6 35
131 B 131 GLY G T g <5T + 0 0 50.9 48.7 178.2 131.5 67.4 24.4 128 -1.0 252 -1.6 0 0.0 0 0.0 10 26
132 B 132 VAL V E E BDA T - 0 0 -78.4 163.0 179.9 -96.7 33.3 114.5 0 0.0 144 -0.8 0 0.0 0 0.0 7 31
141 B 141 LYS K T T 4 > TS+ 0 0 -42.1 -48.9 -177.9 44.7 123.9 31.2 0 0.0 144 -0.8 0 0.0 0 0.0 7 25
142 B 142 GLU E T T 4 3 TS+ 0 0 -70.2 -37.4 -178.8 57.4 106.5 31.5 0 0.0 0 0.0 0 0.0 0 0.0 6 22
143 B 143 ALA A T T > 3 TS+ 0 0 -73.6 -3.9 -176.6 84.2 89.6 56.1 0 0.0 147 -0.7 0 0.0 0 0.0 8 25
144 B 144 LEU L T g < X>TS+ 0 0 -64.3 -64.6 -178.4 47.2 82.7 19.0 141 -0.8 149 -2.0 140 -0.8 147 -1.1 14 28
145 B 145 ALA A G G 4 >5TS+ 0 0 -47.4 -51.7 -179.1 51.8 111.4 22.8 0 0.0 148 -2.0 0 0.0 0 0.0 9 24
146 B 146 ASP D G G 4 35TS+ 0 0 -61.8 -22.8 179.4 54.7 106.8 41.7 0 0.0 0 0.0 0 0.0 0 0.0 6 23
147 B 147 ALA A G G < <5TS- 0 0 -87.2 -7.4 177.8 -104.7 124.2 57.4 144 -1.1 0 0.0 143 -0.7 0 0.0 8 37
148 B 148 GLY G T g <5TS+ 0 0 98.6 11.7 -178.4 127.3 78.0 58.8 145 -2.0 0 0.0 0 0.0 0 0.0 7 37
149 B 149 TYR Y t T - 0 0 -78.8 162.1 -178.4 -107.2 32.3 113.7 0 0.0 153 -1.6 0 0.0 0 0.0 8 34
151 B 151 GLU E G G > TS+ 0 0 -59.4 -39.2 -179.9 58.3 117.3 28.8 0 0.0 154 -1.6 0 0.0 0 0.0 8 25
152 B 152 ASP D G G 3 TS+ 0 0 -70.0 -5.7 178.7 69.7 92.6 54.4 0 0.0 0 0.0 0 0.0 0 0.0 4 31
153 B 153 GLU E G G > X TS+ 0 0 -93.6 14.7 -179.1 121.9 71.2 74.0 150 -1.6 157 -2.3 0 0.0 156 -1.1 8 43
154 B 154 TYR Y G G 4 X TS+ 0 0 -42.9 -83.3 -174.6 33.0 70.6 26.2 151 -1.6 157 -0.8 0 0.0 0 0.0 12 40
155 B 155 LEU L G G 4 3 TS+ 0 0 -64.6 5.0 -178.2 53.5 122.2 56.8 0 0.0 0 0.0 0 0.0 0 0.0 9 42
156 B 156 LEU L G G 4 < TS+ 0 0 -104.4 -36.8 -176.5 89.9 85.2 37.5 153 -1.1 0 0.0 0 0.0 0 0.0 12 56
157 B 157 ALA A g < < T - 0 0 -73.8 132.3 176.0 -166.6 52.1 116.5 153 -2.3 139 -2.2 154 -0.8 0 0.0 14 55
158 B 158 THR T B B B - 138 0 -108.6 163.0 179.6 -114.4 32.7 137.4 0 0.0 0 0.0 0 0.0 0 0.0 13 54
159 B 159 ASP D S S S+ 0 0 -60.6 -48.5 -179.6 36.4 103.7 16.5 137 -2.6 0 0.0 0 0.0 0 0.0 9 48
160 B 160 ASN N S S S- 0 0 -111.8 133.4 179.4 -143.7 79.0 151.5 0 0.0 0 0.0 0 0.0 0 0.0 9 55
161 B 161 PRO P - 0 0 -95.8 144.5 174.9 -125.7 15.9 132.9 0 0.0 163 -0.5 0 0.0 0 0.0 10 65
162 B 162 VAL V E E Ae - 231 0 -79.1 125.1 179.5 -153.5 36.7 141.4 230 -2.7 232 -2.5 0 0.0 0 0.0 9 73
163 B 163 VAL V E E Ae + 232 0 -115.5 143.1 -178.8 170.9 20.4 157.2 161 -0.5 0 0.0 0 0.0 0 0.0 9 73
164 B 164 VAL V E E Ae - 233 0 -140.2 151.8 179.5 -105.0 35.7 166.2 232 -2.6 234 -2.2 0 0.0 0 0.0 11 64
165 B 165 PRO P E E Ae > T - 234 0 -79.9 132.2 178.9 -111.0 42.1 129.1 0 0.0 168 -1.1 0 0.0 0 0.0 12 48
166 B 166 VAL V T e 3 TS+ 0 0 -59.8 150.4 177.2 21.2 96.4 100.7 234 -2.3 0 0.0 0 0.0 0 0.0 13 45
167 B 167 GLY G T T 3 TS+ 0 0 67.9 15.5 178.6 115.8 98.4 50.8 206 -3.2 0 0.0 0 0.0 0 0.0 8 35
168 B 168 LYS K S t < TS- 0 0 -117.5 152.8 179.5 -108.6 72.6 150.9 165 -1.1 170 -0.9 0 0.0 0 0.0 10 42
169 B 169 LYS K e - 0 0 -80.0 105.9 178.6 -168.9 37.1 130.7 0 0.0 112 -1.6 0 0.0 111 -1.5 11 42
170 B 170 VAL V E E BbF - 112 204 -98.8 126.6 177.7 -159.3 6.6 146.3 204 -3.0 204 -1.5 168 -0.9 172 -0.6 13 58
171 B 171 LEU L E E BbF - 113 203 -106.5 117.8 179.4 -159.7 7.4 156.3 112 -2.7 114 -2.5 0 0.0 0 0.0 15 56
172 B 172 VAL V E E BbF - 114 202 -100.1 129.8 177.3 -157.2 5.5 149.5 202 -3.1 202 -1.4 170 -0.6 174 -0.7 11 60
173 B 173 GLN Q E E BbF - 115 201 -104.2 105.4 -179.1 -165.2 19.5 156.7 114 -2.4 116 -2.5 0 0.0 0 0.0 12 50
174 B 174 VAL V E E BbF + 116 200 -98.6 147.6 179.6 132.2 23.9 137.1 200 -2.1 200 -1.9 172 -0.7 0 0.0 17 50
175 B 175 THR T E E Bb - 117 0 -171.1 173.1 179.5 -133.6 34.8 158.8 116 -1.3 118 -2.9 0 0.0 0 0.0 15 43
176 B 176 ALA A E E Bb - 118 0 -139.6 165.6 -179.7 -145.4 8.2 157.9 0 0.0 197 -0.6 0 0.0 0 0.0 14 45
177 B 177 THR T S e S+ 0 0 -100.2 -39.2 -178.6 11.5 90.6 36.2 118 -2.0 0 0.0 0 0.0 0 0.0 10 33
178 B 178 ASP D S S S- 0 0 -101.6 -80.6 -176.9 -0.6 120.4 33.2 118 -0.5 0 0.0 0 0.0 0 0.0 8 31
179 B 179 VAL V S S S- 0 0 -107.1 -178.5 178.0 -75.5 84.2 106.2 0 0.0 181 -0.5 0 0.0 0 0.0 11 35
180 B 180 ILE I + 0 0 -86.1 124.3 177.0 164.9 53.6 141.9 0 0.0 0 0.0 0 0.0 0 0.0 13 40
181 B 181 HIS H E E CG - 194 0 -121.6 179.3 177.2 -130.4 27.3 132.6 194 -2.0 194 -3.7 179 -0.5 0 0.0 15 48
182 B 182 ALA A E E CG - 193 0 -144.1 127.9 -179.6 -148.5 7.6 166.9 0 0.0 217 -2.1 0 0.0 0 0.0 12 55
183 B 183 TRP W E E CG + 192 0 -94.2 132.2 -179.0 155.7 30.9 143.5 192 -2.3 192 -2.1 0 0.0 0 0.0 16 64
184 B 184 THR T E E CG - 191 0 -159.2 150.2 174.4 -168.6 35.2 177.3 0 0.0 0 0.0 0 0.0 0 0.0 13 67
185 B 185 ILE I E E CG >>T - 190 0 -137.3 102.5 -179.1 -160.0 16.3 157.0 190 -1.6 190 -1.7 0 0.0 188 -1.6 14 67
186 B 186 PRO P G G >5TS+ 0 0 -48.4 -53.6 -178.4 59.8 89.4 16.8 0 0.0 189 -2.9 0 0.0 0 0.0 11 55
187 B 187 ALA A G G 35TS+ 0 0 -55.3 -14.8 179.1 43.2 109.8 55.8 0 0.0 24 -2.6 0 0.0 0 0.0 16 54
188 B 188 PHE F G G <5TS- 0 0 -107.8 -5.8 -178.7 -127.2 106.8 64.0 185 -1.6 0 0.0 0 0.0 0 0.0 14 59
189 B 189 ALA A T g <5T + 0 0 61.1 38.2 179.3 137.2 63.7 29.3 186 -2.9 0 0.0 0 0.0 0 0.0 12 54
190 B 190 VAL V E E CG T - 0 0 -110.5 127.4 179.8 -113.7 29.8 156.5 193 -0.9 198 -1.9 0 0.0 0 0.0 14 37
196 B 196 PRO P T T 3 TS+ 0 0 -57.6 130.8 179.4 18.4 102.5 103.7 0 0.0 0 0.0 0 0.0 0 0.0 10 30
197 B 197 GLY G T T 3 TS+ 0 0 86.6 3.9 -179.6 88.8 112.8 61.2 176 -0.6 0 0.0 0 0.0 0 0.0 7 22
198 B 198 ARG R t < T - 0 0 -135.8 136.8 177.3 -152.9 60.9 174.7 195 -1.9 200 -0.7 0 0.0 0 0.0 7 27
199 B 199 ILE I - 0 0 -113.4 94.8 179.5 -174.4 22.2 146.1 0 0.0 0 0.0 0 0.0 0 0.0 9 35
200 B 200 ALA A E E BF - 174 0 -81.9 159.2 -179.5 -139.4 11.1 115.9 174 -1.9 174 -2.1 198 -0.7 0 0.0 11 38
201 B 201 GLN Q E E BF + 173 0 -124.1 159.1 177.4 166.5 24.2 148.4 0 0.0 0 0.0 0 0.0 0 0.0 10 47
202 B 202 LEU L E E BF - 172 0 -161.3 143.7 178.8 -164.8 13.7 160.1 172 -1.4 172 -3.1 0 0.0 0 0.0 13 52
203 B 203 TRP W E E BF + 171 0 -131.9 171.3 -180.0 152.3 14.4 150.9 0 0.0 0 0.0 0 0.0 0 0.0 12 54
204 B 204 PHE F E E BF - 170 0 178.0 167.4 177.4 -133.1 29.2 160.9 170 -1.5 170 -3.0 0 0.0 0 0.0 12 61
205 B 205 SER S - 0 0 -139.0 133.6 -179.4 -128.0 23.7 173.5 0 0.0 0 0.0 0 0.0 0 0.0 12 58
206 B 206 VAL V - 0 0 -89.7 130.3 -177.0 -151.3 8.9 142.0 0 0.0 167 -3.2 0 0.0 0 0.0 14 56
207 B 207 ASP D S S S+ 0 0 -66.4 -37.6 -178.3 5.7 72.3 33.9 24 -2.1 0 0.0 0 0.0 0 0.0 9 43
208 B 208 GLN Q S S S- 0 0 -148.9 162.8 179.0 -81.3 85.0 165.1 0 0.0 0 0.0 0 0.0 0 0.0 9 42
209 B 209 GLU E S S S+ 0 0 -64.6 135.1 179.0 98.0 74.6 115.3 0 0.0 0 0.0 0 0.0 0 0.0 12 43
210 B 210 GLY G E E A H - 0 233 169.3 -176.8 179.7 -74.2 69.1 165.5 233 -1.6 233 -2.5 0 0.0 0 0.0 11 49
211 B 211 VAL V E E AaH - 9 232 -112.0 131.9 -178.5 -174.3 38.4 157.1 8 -3.1 10 -2.0 0 0.0 11 -0.8 13 59
212 B 212 TYR Y E E AaH - 11 231 -130.6 133.3 -178.8 -148.8 8.7 170.1 231 -2.4 231 -2.5 0 0.0 0 0.0 13 63
213 B 213 PHE F E E A H + 0 230 -103.6 161.5 178.6 176.2 14.1 124.4 11 -3.0 0 0.0 0 0.0 0 0.0 14 62
214 B 214 GLY G E E A H - 0 229 -156.1 150.8 178.8 -153.3 12.2 168.0 229 -1.9 229 -2.8 0 0.0 0 0.0 12 63
215 B 215 GLN Q - 0 0 -125.6 159.4 -178.7 -81.3 41.8 155.1 0 0.0 0 0.0 0 0.0 0 0.0 13 59
216 B 216 CYS C - 0 0 -62.8 132.1 -177.4 -162.2 40.0 115.2 0 0.0 0 0.0 0 0.0 0 0.0 15 52
217 B 217 SER S + 0 0 -114.7 44.4 176.3 59.0 63.1 102.2 182 -2.1 0 0.0 0 0.0 0 0.0 9 44
218 B 218 GLU E S S S- 0 0 -168.3 116.9 180.0 -99.4 93.5 138.7 0 0.0 0 0.0 0 0.0 0 0.0 9 40
219 B 219 LEU L + 0 0 -39.4 120.8 -175.0 163.7 50.3 97.8 0 0.0 0 0.0 0 0.0 0 0.0 8 30
220 B 220 CYS C - 0 0 -132.1 6.6 179.9 -66.4 50.1 72.7 0 0.0 0 0.0 0 0.0 0 0.0 11 33
221 B 221 GLY G S t > TS- 0 0 137.7 -170.9 -178.3 -32.5 81.1 149.4 0 0.0 224 -1.4 0 0.0 0 0.0 7 26
222 B 222 ILE I T T 3 TS+ 0 0 -58.3 -21.5 -178.5 40.2 136.5 44.5 0 0.0 0 0.0 0 0.0 0 0.0 4 19
223 B 223 ASN N T T > T + 0 0 -123.9 42.2 -180.0 126.1 68.6 99.1 0 0.0 226 -1.0 0 0.0 0 0.0 9 31
224 B 224 HIS H T T < TS+ 0 0 -68.4 -23.1 179.9 52.2 79.3 36.2 221 -1.4 0 0.0 0 0.0 0 0.0 11 35
225 B 225 ALA A T T 3 TS+ 0 0 -89.1 -8.0 -174.6 63.5 101.9 56.1 0 0.0 0 0.0 0 0.0 0 0.0 8 37
226 B 226 TYR Y S t < TS+ 0 0 -117.7 44.7 177.7 77.8 78.8 101.9 223 -1.0 0 0.0 0 0.0 0 0.0 11 39
227 B 227 MET M + 0 0 -146.4 67.0 -178.6 176.0 62.5 116.3 0 0.0 0 0.0 0 0.0 0 0.0 14 54
228 B 228 PRO P - 0 0 -68.3 -179.2 -179.1 -130.3 22.2 82.9 0 0.0 0 0.0 0 0.0 0 0.0 17 61
229 B 229 ILE I E E A H - 0 214 -134.3 142.5 178.7 -171.6 16.8 165.3 214 -2.8 214 -1.9 0 0.0 0 0.0 18 69
230 B 230 VAL V E E A H - 0 213 -140.2 125.0 177.6 -174.5 1.7 168.6 0 0.0 162 -2.7 0 0.0 0 0.0 14 67
231 B 231 VAL V E E AeH - 162 212 -125.9 130.2 -179.8 -161.2 7.0 171.8 212 -2.5 212 -2.4 0 0.0 0 0.0 11 79
232 B 232 LYS K E E AeH - 163 211 -109.9 126.4 179.7 -157.3 6.5 161.2 162 -2.5 164 -2.6 0 0.0 0 0.0 14 66
233 B 233 ALA A E E AeH + 164 210 -106.0 131.6 -177.9 169.6 20.6 159.4 210 -2.5 210 -1.6 0 0.0 0 0.0 13 58
234 B 234 VAL V E E Ae - 165 0 -138.6 163.5 178.5 -80.7 39.4 158.7 164 -2.2 166 -2.3 0 0.0 0 0.0 16 45
235 B 235 SER S h > T - 0 0 -59.8 150.1 -179.6 -109.6 48.1 100.3 0 0.0 239 -2.6 0 0.0 0 0.0 9 36
236 B 236 GLN Q H H > TS+ 0 0 -51.3 -38.8 179.4 55.3 120.8 31.3 0 0.0 240 -2.2 0 0.0 0 0.0 8 32
237 B 237 GLU E H H > TS+ 0 0 -59.6 -52.0 178.8 43.4 110.6 15.5 0 0.0 241 -1.5 0 0.0 0 0.0 7 25
238 B 238 LYS K H H > TS+ 0 0 -60.5 -36.0 -178.2 55.3 112.6 30.7 0 0.0 242 -2.4 0 0.0 0 0.0 11 31
239 B 239 TYR Y H H X TS+ 0 0 -68.6 -36.8 179.6 52.5 103.7 31.5 235 -2.6 243 -2.4 0 0.0 0 0.0 12 43
240 B 240 GLU E H H X TS+ 0 0 -64.9 -40.4 179.3 47.2 112.1 27.5 236 -2.2 244 -1.6 0 0.0 0 0.0 8 33
241 B 241 ALA A H H X > TS+ 0 0 -64.1 -60.4 178.8 43.8 114.2 10.6 237 -1.5 245 -1.9 0 0.0 244 -0.7 9 28
242 B 242 TRP W H H X 3 TS+ 0 0 -50.9 -43.0 -178.7 55.0 113.2 26.2 238 -2.4 246 -2.4 0 0.0 0 0.0 10 40
243 B 243 LEU L H H X 3 TS+ 0 0 -60.7 -38.7 179.4 53.6 104.0 34.1 239 -2.4 247 -1.4 0 0.0 0 0.0 8 45
244 B 244 ALA A H H < < TS+ 0 0 -63.5 -46.7 178.7 45.7 110.5 21.4 240 -1.6 0 0.0 241 -0.7 0 0.0 8 29
245 B 245 GLY G H H X > TS+ 0 0 -62.1 -40.2 -179.4 54.2 111.5 23.5 241 -1.9 249 -3.0 0 0.0 248 -1.4 8 29
246 B 246 ALA A H H X 3 TS+ 0 0 -65.7 -31.4 -179.9 65.4 94.6 40.6 242 -2.4 250 -2.0 0 0.0 0 0.0 10 36
247 B 247 LYS K H H < 3 TS+ 0 0 -67.2 -13.1 178.5 28.5 118.4 48.6 243 -1.4 0 0.0 0 0.0 0 0.0 12 26
248 B 248 GLU E H H 4 X TS+ 0 0 -106.3 -56.4 -179.5 45.2 123.6 39.4 245 -1.4 251 -1.2 0 0.0 0 0.0 7 19
249 B 249 GLU E H H < 3 TS+ 0 0 -60.9 -35.5 -179.8 26.7 130.3 34.9 245 -3.0 0 0.0 0 0.0 0 0.0 6 26
250 B 250 PHE F T h < 3 TS+ 0 0 -125.6 50.4 -178.9 177.0 85.1 111.5 246 -2.0 133 -1.6 0 0.0 0 0.0 9 30
251 B 251 ALA A B B A < T 132 0 -60.0 129.8 179.9 999.9 999.9 111.3 248 -1.2 0 0.0 0 0.0 0 0.0 9 22
252 B 252 ALA A 0 0 -71.7 999.9 999.9 999.9 999.9 129.3 131 -1.6 0 0.0 0 0.0 0 0.0 7 23
1ar1B.pdb
1AR1 COMPLEX (OXIDOREDUCTASE/ANTIBODY) MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SS S EEE TT S SHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHSSTTT S THHHHHHHHHHHHHHHHHHHHHHHHH Kabs/Sand
chirality +++-+--+++---++-+----++-+++++++++++++++++++++++++++++++++++-+++++---+-+--++++++++++++++++++++++++++ chirality
bends SS S S SS S SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS S SSSSSSSSSSSSSSSSSSSSSSSSSS bends
turns TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33< >33< >33< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 a*a bridge-1
sheets AAA sheets
4-turns >>>>XXXXXXXXXXXXXXXXXXXXXXXXXXXX<<<<>444< >>>4XX<>XX>XXXXXXXXXX 4-turns
summary SS S eEEE tTTt S hHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHhtTTTt S thHHHHHHHHHHHHHHHHHHHHHHHHH summary
sequence QDVLGDLPVIGKPVNGGMNFQPASSPLAHDQQWLDHFVLYIITAVTIFVCLLLLICIVRFNRRANPVPARFTHNTPIEVIWTLVPVLILVAIGAFSLPIL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHS SS SEEEEEEEETTEEEEEEGGGTEEEEE B TTTTGGGT GGGGGG BSS EEEETTS EEEEEEESSS EEEEEGGGTEEEEE TT E Kabs/Sand
chirality ++++---+--+-+-------+------++-+++--+----++++++-+--++++++--+---+--++------+--+--+--+--++-+++----++--- chirality
bends SSSSS SS S SSS SSS SSSSSSSS SSSSSS SS SSS SSS SSS SS bends
turns TTTTT TTTT TTTTTT TTTTTTTTTTTTTTTTTT TTTT TTTTTT TTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >33< >>3<< >33X>3<< >>3XX3<< >33< >>3<< >33< 3-turns
bridge-2 CCCCC DDDDD A FFFFF bridge-2
bridge-1 bbbbbbb CCCCC DDDDD B B eeee bbbbbbb GGGGG GGGGG F bridge-1
sheets BBBBBBBB BBBBBB BBBBB AAAA BBBBBBB CCCCC CCCCC B sheets
4-turns X<<<< >44><44< >444< 4-turns
summary HHHHh SS SEEEEEEEETTEEEEEEGGGgEEEEE B tTTTgGGGgtgGGGGGGgBSS EEEEeTteEEEEEEEeSS EEEEEGGGgEEEEEtTTt E summary
sequence FRSQEMPNDPDLVIKAIGHQWYWSYEYPNDGVAFDALMLEKEALADAGYSEDEYLLATDNPVVVPVGKKVLVQVTATDVIHAWTIPAFAVKQDAVPGRIA sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EEEE SSSEEEEE S STTTTS EEEEEE HHHHHHHHHHHHHHTB Kabs/Sand
chirality +-+---+-+---+---+-+--++++++-----+--+++++++++++++++ chirality
bends SSS S SS SSS SSSSSSSSSSSSSSS bends
turns TTTTTT TTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >3><3< >33<>33X33< 3-turns
bridge-2 HHHHH HHHHH bridge-2
bridge-1 FFFF aa eeee A bridge-1
sheets BBBB AAAAA AAAAAA sheets
4-turns >>>>XXXXX