Secondary structure calculation program - copyright by David Keith Smith, 1989
1bt3A.pdb
1BT3 OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 336
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 ALA A 0 0 999.9 144.5 -179.8 999.9 999.9 999.9 0 0.0 224 -2.5 0 0.0 0 0.0 5 28
2 A 2 PRO P - 0 0 -71.0 159.5 178.1 -101.2 999.9 103.0 0 0.0 4 -0.6 0 0.0 0 0.0 11 46
3 A 3 ILE I - 0 0 -83.2 122.1 -177.4 -139.4 47.8 140.1 295 -0.5 300 -2.2 0 0.0 0 0.0 13 53
4 A 4 GLN Q - 0 0 -86.1 157.9 178.7 -92.9 19.1 121.9 2 -0.6 0 0.0 0 0.0 0 0.0 10 50
5 A 5 ALA A - 0 0 -62.4 143.6 -179.5 -102.6 57.3 109.4 0 0.0 0 0.0 0 0.0 0 0.0 10 63
6 A 6 PRO P - 0 0 -66.6 166.3 177.7 -107.0 25.4 97.4 0 0.0 8 -1.0 0 0.0 0 0.0 11 60
7 A 7 GLU E g > T - 0 0 -98.1 96.0 -179.6 -154.0 26.7 148.8 0 0.0 10 -3.0 0 0.0 0 0.0 8 45
8 A 8 ILE I G G > TS+ 0 0 -38.4 -37.0 -178.8 60.1 91.0 38.5 6 -1.0 11 -1.0 0 0.0 0 0.0 10 47
9 A 9 SER S G G 3 TS+ 0 0 -72.9 -15.2 -179.9 52.7 101.8 50.5 0 0.0 0 0.0 0 0.0 0 0.0 6 30
10 A 10 LYS K G G < TS+ 0 0 -113.5 38.5 179.4 152.0 74.0 99.9 7 -3.0 0 0.0 0 0.0 0 0.0 6 36
11 A 11 CYS C g < T - 0 0 -73.6 127.0 -178.7 -116.4 49.4 125.7 8 -1.0 0 0.0 0 0.0 0 0.0 10 47
12 A 12 VAL V - 0 0 -67.9 119.7 179.6 -128.7 30.2 118.9 95 -2.5 0 0.0 0 0.0 0 0.0 11 42
13 A 13 VAL V S S S+ 0 0 -121.8 119.5 -0.6 17.9 91.9 166.1 0 0.0 0 0.0 0 0.0 0 0.0 10 35
14 A 14 PRO P S S S- 0 0 -83.8 171.3 179.6 -98.7 110.2 43.9 0 0.0 0 0.0 0 0.0 0 0.0 9 36
15 A 15 PRO P t > T - 0 0 -50.7 136.1 -179.2 -127.3 27.7 101.4 0 0.0 18 -1.6 0 0.0 0 0.0 15 47
16 A 16 ALA A T T 3 TS+ 0 0 -55.9 -35.9 -178.0 40.1 107.5 29.0 94 -2.8 0 0.0 0 0.0 0 0.0 9 39
17 A 17 ASP D T T 3 TS+ 0 0 -102.6 19.1 179.8 131.7 78.5 78.9 93 -3.1 0 0.0 0 0.0 0 0.0 8 43
18 A 18 LEU L t < T - 0 0 -70.6 125.1 179.9 -128.0 57.3 122.0 15 -1.6 0 0.0 0 0.0 0 0.0 11 43
19 A 19 PRO P t > T - 0 0 -72.3 154.8 179.9 -97.6 30.0 114.3 0 0.0 22 -1.3 0 0.0 0 0.0 6 32
20 A 20 PRO P T T 3 TS+ 0 0 -75.4 129.8 -178.3 43.6 112.3 125.2 0 0.0 0 0.0 0 0.0 0 0.0 4 25
21 A 21 GLY G T T 3 TS+ 0 0 117.1 -4.7 179.5 157.9 80.7 72.7 0 0.0 0 0.0 0 0.0 0 0.0 6 26
22 A 22 ALA A t < T - 0 0 -54.1 134.1 -179.7 -137.1 46.5 103.1 19 -1.3 0 0.0 0 0.0 0 0.0 8 40
23 A 23 VAL V S S S+ 0 0 -72.3 -6.6 179.0 40.0 91.0 59.5 0 0.0 0 0.0 0 0.0 0 0.0 4 36
24 A 24 VAL V - 0 0 -135.2 161.5 178.3 -165.5 58.7 158.3 0 0.0 0 0.0 0 0.0 0 0.0 5 42
25 A 25 ASP D S S S+ 0 0 -134.6 17.7 -178.9 47.6 75.3 78.6 0 0.0 0 0.0 0 0.0 0 0.0 9 33
26 A 26 ASN N + 0 0 -160.7 125.8 -179.9 175.3 44.1 154.7 0 0.0 0 0.0 0 0.0 0 0.0 7 44
27 A 27 CYS C + 0 0 -120.1 19.5 -179.8 132.7 38.8 83.6 0 0.0 0 0.0 0 0.0 0 0.0 13 56
28 A 28 CYS C - 0 0 -75.5 134.9 179.8 -133.6 50.9 120.0 0 0.0 0 0.0 0 0.0 0 0.0 13 51
29 A 29 PRO P - 0 0 -79.3 171.9 179.5 -72.0 45.1 105.1 0 0.0 0 0.0 0 0.0 0 0.0 9 57
30 A 30 PRO P - 0 0 -61.7 147.8 179.7 -99.8 61.9 111.3 0 0.0 0 0.0 0 0.0 0 0.0 8 43
31 A 31 VAL V - 0 0 -72.7 125.8 -178.7 -128.4 42.5 128.0 0 0.0 0 0.0 0 0.0 0 0.0 7 37
32 A 32 ALA A - 0 0 -81.7 133.6 179.0 -157.2 13.8 131.6 0 0.0 0 0.0 0 0.0 0 0.0 8 33
33 A 33 SER S S S S+ 0 0 -67.2 -71.0 179.1 9.7 80.7 4.3 0 0.0 0 0.0 0 0.0 0 0.0 4 22
34 A 34 ASN N S e S- 0 0 -117.8 137.0 -178.8 -154.3 70.3 158.0 0 0.0 310 -0.6 0 0.0 0 0.0 5 24
35 A 35 ILE I E E Aa - 310 0 -112.8 126.5 179.8 -161.2 10.2 161.0 0 0.0 0 0.0 0 0.0 0 0.0 9 31
36 A 36 VAL V E E Aa - 311 0 -108.7 155.3 179.1 -108.7 25.7 139.9 310 -2.2 312 -2.9 0 0.0 0 0.0 8 29
37 A 37 ASP D E E Aa - 312 0 -80.0 126.0 -179.5 -116.5 43.0 135.0 0 0.0 0 0.0 0 0.0 0 0.0 7 32
38 A 38 TYR Y e - 0 0 -70.4 132.2 179.1 -174.2 29.8 120.8 312 -3.5 0 0.0 0 0.0 0 0.0 8 36
39 A 39 LYS K - 0 0 -126.5 117.5 -179.0 -111.2 34.2 172.6 0 0.0 0 0.0 0 0.0 0 0.0 5 34
40 A 40 LEU L - 0 0 -51.6 127.9 179.8 -122.9 34.6 104.6 0 0.0 0 0.0 0 0.0 0 0.0 7 37
41 A 41 PRO P - 0 0 -66.7 168.5 178.5 -90.9 33.1 99.6 0 0.0 0 0.0 0 0.0 0 0.0 5 32
42 A 42 ALA A - 0 0 -82.3 136.6 179.2 -115.4 42.3 130.3 0 0.0 0 0.0 0 0.0 0 0.0 4 20
43 A 43 VAL V + 0 0 -74.5 125.6 178.6 153.8 49.0 126.5 0 0.0 0 0.0 0 0.0 0 0.0 8 23
44 A 44 THR T S S S+ 0 0 -117.6 -40.2 177.4 26.5 74.8 54.0 0 0.0 0 0.0 0 0.0 0 0.0 5 20
45 A 45 THR T S S S- 0 0 -130.8 121.6 178.1 -139.3 77.5 172.4 0 0.0 0 0.0 0 0.0 0 0.0 7 27
46 A 46 MET M - 0 0 -76.3 131.5 179.3 -139.1 20.0 127.2 0 0.0 48 -0.5 0 0.0 0 0.0 10 30
47 A 47 LYS K E E Bb - 326 0 -95.8 128.5 180.0 -151.4 10.9 149.6 325 -2.4 327 -2.2 0 0.0 49 -0.6 11 44
48 A 48 VAL V E E Bb - 327 0 -105.2 116.8 178.5 -144.7 6.2 154.6 137 -0.8 0 0.0 46 -0.5 0 0.0 12 45
49 A 49 ARG R E E Bb - 328 0 -80.0 113.5 -179.8 -145.2 23.4 138.2 327 -3.1 329 -2.6 47 -0.6 0 0.0 13 56
50 A 50 PRO P - 0 0 -82.2 147.9 178.4 -104.7 18.8 120.0 0 0.0 142 -2.4 0 0.0 52 -0.5 12 48
51 A 51 ALA A B B a > T - 142 0 -72.1 117.5 -178.2 -133.7 32.5 126.0 0 0.0 54 -2.5 0 0.0 0 0.0 13 52
52 A 52 ALA A G G > TS+ 0 0 -40.3 -52.8 -179.7 57.0 99.0 34.6 142 -3.2 55 -1.6 50 -0.5 0 0.0 12 55
53 A 53 HIS H G G 3 TS+ 0 0 -63.5 -7.8 179.0 51.3 106.2 56.1 0 0.0 0 0.0 0 0.0 0 0.0 9 46
54 A 54 THR T G G < TS+ 0 0 -109.3 2.5 -179.1 117.9 79.8 63.5 51 -2.5 0 0.0 0 0.0 0 0.0 6 38
55 A 55 MET M g < T - 0 0 -71.7 137.1 179.6 -133.3 58.3 118.8 52 -1.6 0 0.0 0 0.0 0 0.0 10 35
56 A 56 ASP D h > T - 0 0 -84.0 170.1 -178.7 -93.9 33.0 108.5 0 0.0 60 -2.3 0 0.0 0 0.0 6 20
57 A 57 LYS K H H > TS+ 0 0 -54.3 -32.3 -179.7 56.1 124.6 31.6 0 0.0 61 -2.7 0 0.0 0 0.0 6 23
58 A 58 ASP D H H > TS+ 0 0 -66.3 -44.9 -179.4 42.2 109.3 23.4 0 0.0 62 -1.5 0 0.0 0 0.0 7 22
59 A 59 ALA A H H > TS+ 0 0 -70.2 -37.3 178.9 51.5 115.2 33.8 0 0.0 63 -1.8 0 0.0 0 0.0 8 39
60 A 60 ILE I H H X TS+ 0 0 -64.6 -45.5 179.8 51.6 108.8 16.8 56 -2.3 64 -2.6 0 0.0 0 0.0 10 43
61 A 61 ALA A H H X TS+ 0 0 -60.3 -33.9 179.5 50.0 109.5 35.2 57 -2.7 65 -1.5 0 0.0 0 0.0 8 39
62 A 62 LYS K H H X TS+ 0 0 -75.2 -32.3 178.3 50.5 109.4 34.5 58 -1.5 66 -2.4 0 0.0 0 0.0 9 39
63 A 63 PHE F H H X TS+ 0 0 -67.6 -47.5 -179.6 49.6 111.2 16.0 59 -1.8 67 -2.5 0 0.0 0 0.0 8 60
64 A 64 ALA A H H X TS+ 0 0 -61.5 -37.0 179.0 48.0 111.4 32.7 60 -2.6 68 -1.9 0 0.0 0 0.0 11 50
65 A 65 LYS K H H X TS+ 0 0 -69.1 -50.7 178.9 52.9 109.8 11.3 61 -1.5 69 -2.7 0 0.0 0 0.0 10 40
66 A 66 ALA A H H X TS+ 0 0 -48.1 -48.3 179.8 45.0 112.1 27.9 62 -2.4 70 -1.5 0 0.0 0 0.0 12 45
67 A 67 VAL V H H X TS+ 0 0 -65.1 -39.2 -180.0 55.0 110.4 25.3 63 -2.5 71 -2.2 0 0.0 0 0.0 12 57
68 A 68 GLU E H H X TS+ 0 0 -61.7 -40.4 178.7 49.4 107.3 25.2 64 -1.9 72 -1.1 0 0.0 0 0.0 9 41
69 A 69 LEU L H H < TS+ 0 0 -67.3 -29.7 179.8 51.1 110.8 34.0 65 -2.7 0 0.0 0 0.0 0 0.0 11 39
70 A 70 MET M H H < > TS+ 0 0 -75.7 -32.8 178.8 48.3 109.8 37.8 66 -1.5 81 -2.4 0 0.0 73 -0.7 13 50
71 A 71 LYS K H H < 3 TS+ 0 0 -77.9 -20.7 -178.5 57.4 108.6 46.6 67 -2.2 0 0.0 0 0.0 0 0.0 9 40
72 A 72 ALA A T h < 3 TS+ 0 0 -92.9 6.6 178.2 107.3 82.6 71.8 68 -1.1 0 0.0 0 0.0 0 0.0 8 28
73 A 73 LEU L S t < TS- 0 0 -80.9 154.6 179.4 -75.3 90.1 123.1 70 -0.7 0 0.0 0 0.0 0 0.0 10 31
74 A 74 PRO P t > T - 0 0 -50.8 135.4 -179.0 -127.4 38.6 100.4 0 0.0 77 -2.2 0 0.0 0 0.0 6 24
75 A 75 ALA A T T 3 TS+ 0 0 -54.6 -34.9 -179.5 55.7 110.9 34.7 0 0.0 0 0.0 0 0.0 0 0.0 8 27
76 A 76 ASP D T T 3 TS+ 0 0 -77.4 -5.7 -178.2 102.0 86.5 65.8 0 0.0 0 0.0 0 0.0 0 0.0 7 27
77 A 77 ASP D S t X TS- 0 0 -86.1 125.6 -179.6 -142.5 70.6 140.4 74 -2.2 80 -2.4 0 0.0 0 0.0 10 37
78 A 78 PRO P T T 3 TS+ 0 0 -65.3 -7.6 177.5 58.0 102.5 58.0 0 0.0 0 0.0 0 0.0 0 0.0 11 49
79 A 79 ARG R T T 3 TS+ 0 0 -97.0 -8.5 178.2 118.2 79.0 63.1 0 0.0 0 0.0 0 0.0 0 0.0 14 53
80 A 80 ASN N S h > < TS- 0 0 -55.6 146.8 -178.8 -110.7 81.1 107.2 77 -2.4 84 -2.3 0 0.0 0 0.0 14 49
81 A 81 PHE F H H > TS+ 0 0 -48.5 -47.0 -178.8 39.1 118.3 27.2 70 -2.4 85 -0.9 0 0.0 0 0.0 12 58
82 A 82 TYR Y H H > TS+ 0 0 -78.0 -29.0 177.4 57.5 110.4 35.6 0 0.0 86 -1.2 0 0.0 0 0.0 10 53
83 A 83 GLN Q H H > TS+ 0 0 -66.8 -33.6 178.6 49.3 108.9 30.0 0 0.0 87 -0.6 0 0.0 0 0.0 13 53
84 A 84 GLN Q H H X TS+ 0 0 -72.9 -29.3 179.8 57.8 104.4 38.5 80 -2.3 88 -0.8 0 0.0 0 0.0 12 66
85 A 85 ALA A H H X TS+ 0 0 -72.0 -25.0 179.6 58.3 101.4 39.8 81 -0.9 89 -0.9 0 0.0 0 0.0 12 64
86 A 86 LEU L H H X TS+ 0 0 -74.1 -29.6 179.5 67.7 91.0 43.4 82 -1.2 90 -3.2 0 0.0 0 0.0 14 63
87 A 87 VAL V H H X TS+ 0 0 -57.4 -47.9 179.3 47.8 102.0 19.8 83 -0.6 91 -2.8 0 0.0 0 0.0 11 74
88 A 88 HIS H H H X TS+ 0 0 -62.3 -37.8 177.6 49.9 111.9 25.2 84 -0.8 92 -1.2 0 0.0 0 0.0 13 71
89 A 89 CYS C H H X > TS+ 0 0 -63.2 -47.8 -179.5 49.1 112.0 13.9 85 -0.9 93 -3.0 0 0.0 92 -0.6 15 62
90 A 90 ALA A H H < 3>TS+ 0 0 -57.8 -49.4 -179.9 39.8 116.2 27.1 86 -3.2 95 -2.2 0 0.0 96 -0.6 14 61
91 A 91 TYR Y H H < 35TS+ 0 0 -79.3 -10.3 -179.7 35.9 127.0 52.7 87 -2.8 108 -1.6 0 0.0 0 0.0 12 68
92 A 92 CYS C H H < <5TS+ 0 0 -115.7 -18.4 -177.9 45.3 117.0 52.8 88 -1.2 0 0.0 89 -0.6 0 0.0 14 66
93 A 93 ASN N T h < 5TS- 0 0 -120.4 32.0 177.9 -89.5 116.6 91.1 89 -3.0 17 -3.1 0 0.0 0 0.0 14 53
94 A 94 GLY G T T 5TS+ 0 0 68.1 46.0 178.2 143.8 73.2 24.6 0 0.0 16 -2.8 0 0.0 0 0.0 16 52
95 A 95 GLY G t T - 101 0 -68.1 132.9 -177.2 -112.5 42.1 114.9 104 -3.6 101 -1.6 101 -1.0 0 0.0 15 45
99 A 99 VAL V T T 3 TS+ 0 0 -34.5 -44.5 178.8 16.6 111.8 44.9 0 0.0 0 0.0 0 0.0 0 0.0 9 36
100 A 100 ASN N T T 3 TS+ 0 0 -113.1 1.3 -178.2 63.8 122.5 66.2 0 0.0 0 0.0 0 0.0 0 0.0 5 27
101 A 101 PHE F E E CC X T + 98 0 -128.2 78.6 -179.6 176.2 54.4 134.2 98 -1.6 104 -1.9 0 0.0 98 -1.0 9 30
102 A 102 PRO P E E C* 3 TS+ 0 0 -56.6 -13.7 179.7 65.0 80.9 52.0 0 0.0 0 0.0 0 0.0 0 0.0 8 30
103 A 103 ASP D E E C* 3 TS+ 0 0 -79.5 -35.3 -177.0 64.2 94.3 34.6 0 0.0 0 0.0 0 0.0 0 0.0 6 27
104 A 104 GLN Q E E C* < TS- 0 0 -100.5 130.8 177.1 -143.3 74.2 143.3 101 -1.9 98 -3.6 0 0.0 0 0.0 11 39
105 A 105 GLU E E E CC - 97 0 -78.6 163.9 175.3 -109.4 28.3 110.9 0 0.0 107 -0.7 0 0.0 0 0.0 12 50
106 A 106 ILE I e - 0 0 -94.3 112.4 178.4 -174.2 40.3 155.9 96 -2.3 108 -0.5 0 0.0 0 0.0 13 60
107 A 107 GLN Q - 0 0 -111.7 123.6 -177.6 -174.1 11.9 167.2 105 -0.7 0 0.0 0 0.0 0 0.0 11 63
108 A 108 VAL V + 0 0 -89.6 -21.8 -179.5 73.4 60.0 44.2 91 -1.6 0 0.0 106 -0.5 0 0.0 11 65
109 A 109 HIS H S S S+ 0 0 -89.0 171.4 179.8 32.2 86.4 110.4 0 0.0 229 -0.5 0 0.0 0 0.0 10 62
110 A 110 ASN N S S S+ 0 0 49.1 44.8 -178.6 73.4 109.9 31.8 0 0.0 231 -2.6 0 0.0 0 0.0 16 44
111 A 111 SER S S t > TS- 0 0 -165.5 178.9 -178.9 -81.0 104.2 157.6 0 0.0 114 -1.3 0 0.0 0 0.0 17 51
112 A 112 TRP W T T 3 TS+ 0 0 -73.8 -3.3 179.6 73.5 117.3 60.4 220 -2.3 0 0.0 0 0.0 0 0.0 16 64
113 A 113 LEU L T h > 3 TS+ 0 0 -81.6 -19.0 -177.9 86.6 74.4 48.0 0 0.0 117 -2.5 0 0.0 0 0.0 13 72
114 A 114 PHE F H H > < TS+ 0 0 -48.3 -61.7 -178.6 41.0 89.0 25.9 111 -1.3 118 -2.0 0 0.0 0 0.0 14 69
115 A 115 PHE F H H > TS+ 0 0 -61.2 -49.1 -180.0 41.3 119.8 22.7 0 0.0 119 -1.8 0 0.0 0 0.0 10 71
116 A 116 PRO P H H > TS+ 0 0 -66.4 -48.1 -179.3 53.8 112.4 16.3 0 0.0 120 -2.8 0 0.0 0 0.0 10 70
117 A 117 PHE F H H X TS+ 0 0 -48.9 -56.1 -179.1 42.0 114.3 18.3 113 -2.5 121 -2.3 0 0.0 0 0.0 11 67
118 A 118 HIS H H H X TS+ 0 0 -64.2 -28.9 177.7 56.1 111.5 36.8 114 -2.0 122 -2.6 0 0.0 0 0.0 10 70
119 A 119 ARG R H H X TS+ 0 0 -68.9 -42.6 178.7 42.2 111.7 24.8 115 -1.8 123 -1.8 0 0.0 0 0.0 10 65
120 A 120 TRP W H H X TS+ 0 0 -69.6 -36.9 179.4 55.7 113.3 28.8 116 -2.8 124 -1.9 0 0.0 0 0.0 10 65
121 A 121 TYR Y H H X TS+ 0 0 -59.6 -52.7 179.1 38.5 113.2 17.0 117 -2.3 125 -1.8 0 0.0 0 0.0 9 72
122 A 122 LEU L H H X TS+ 0 0 -69.3 -31.6 179.6 64.8 109.2 36.4 118 -2.6 126 -3.1 0 0.0 0 0.0 12 69
123 A 123 TYR Y H H X TS+ 0 0 -57.8 -48.9 179.4 34.8 110.6 20.8 119 -1.8 127 -1.6 0 0.0 0 0.0 9 70
124 A 124 PHE F H H X TS+ 0 0 -76.3 -32.9 178.7 55.3 116.0 32.0 120 -1.9 128 -2.4 0 0.0 0 0.0 12 64
125 A 125 TYR Y H H X TS+ 0 0 -61.0 -52.2 179.4 45.9 111.1 9.0 121 -1.8 129 -2.3 0 0.0 0 0.0 11 71
126 A 126 GLU E H H X TS+ 0 0 -59.0 -38.5 179.5 50.7 112.1 30.5 122 -3.1 130 -2.1 0 0.0 0 0.0 11 68
127 A 127 ARG R H H X TS+ 0 0 -68.9 -37.7 179.6 52.4 108.3 27.5 123 -1.6 131 -2.1 0 0.0 0 0.0 11 57
128 A 128 ILE I H H X TS+ 0 0 -60.4 -49.7 179.3 47.6 110.9 15.4 124 -2.4 132 -2.2 0 0.0 0 0.0 13 54
129 A 129 LEU L H H X TS+ 0 0 -57.2 -45.4 179.4 51.1 110.7 30.3 125 -2.3 133 -1.5 0 0.0 0 0.0 13 58
130 A 130 GLY G H H X >TS+ 0 0 -61.3 -37.8 -179.4 52.0 109.5 26.1 126 -2.1 135 -3.0 0 0.0 134 -0.6 14 48
131 A 131 LYS K H H < >5TS+ 0 0 -64.0 -51.9 -179.6 53.5 104.4 20.4 127 -2.1 134 -1.2 0 0.0 0 0.0 10 40
132 A 132 LEU L H H < 35TS+ 0 0 -52.5 -46.1 179.5 40.6 115.0 26.5 128 -2.2 0 0.0 0 0.0 0 0.0 10 39
133 A 133 ILE I H H < 35TS- 0 0 -83.0 -4.4 -179.0 -118.0 111.6 59.7 129 -1.5 0 0.0 0 0.0 0 0.0 10 34
134 A 134 GLY G T h < <5TS+ 0 0 70.0 38.4 178.6 132.6 71.5 24.9 131 -1.2 0 0.0 130 -0.6 0 0.0 6 27
135 A 135 ASP D t > T + 0 0 -74.1 58.7 -179.7 154.1 35.7 109.6 142 -1.1 147 -1.8 0 0.0 0 0.0 13 58
145 A 145 TRP W T T 3 T + 0 0 -69.4 -3.1 178.1 65.9 65.1 66.2 143 -2.2 0 0.0 0 0.0 0 0.0 12 71
146 A 146 ASP D T T 3 TS+ 0 0 -95.3 -2.3 178.1 74.1 92.2 66.3 0 0.0 0 0.0 0 0.0 0 0.0 12 62
147 A 147 ASN N S g > X TS- 0 0 -110.8 133.8 180.0 -128.2 88.2 158.5 144 -1.8 150 -2.0 0 0.0 151 -0.6 12 51
148 A 148 PRO P G G 4 > TS+ 0 0 -47.1 -44.5 -179.6 52.8 108.5 29.7 0 0.0 151 -1.2 0 0.0 0 0.0 8 44
149 A 149 GLY G G G 4 3 TS+ 0 0 -70.5 -13.2 179.4 46.7 112.0 54.1 0 0.0 0 0.0 0 0.0 0 0.0 8 38
150 A 150 GLY G G G 4 < TS+ 0 0 -107.7 2.6 -179.5 103.3 78.6 67.9 147 -2.0 152 -1.6 0 0.0 0 0.0 13 54
151 A 151 MET M S g < < TS+ 0 0 -82.1 49.6 -177.3 76.1 72.0 97.8 148 -1.2 179 -2.1 147 -0.6 0 0.0 12 58
152 A 152 VAL V S S S- 0 0 -153.1 150.5 178.9 -91.9 99.4 160.2 150 -1.6 0 0.0 0 0.0 0 0.0 13 51
153 A 153 LEU L - 0 0 -70.1 130.6 179.4 -97.1 58.1 124.3 0 0.0 0 0.0 0 0.0 0 0.0 14 59
154 A 154 PRO P g > > T - 0 0 -52.0 117.3 -178.4 -138.9 33.9 115.0 0 0.0 157 -2.1 0 0.0 158 -0.6 11 61
155 A 155 ASP D G G 4 > TS+ 0 0 -48.9 -38.7 -178.8 65.4 95.8 35.5 0 0.0 158 -1.2 0 0.0 0 0.0 9 51
156 A 156 PHE F G G 4 > TS+ 0 0 -65.7 -13.4 177.7 60.9 92.3 52.1 0 0.0 159 -0.6 0 0.0 0 0.0 7 44
157 A 157 LEU L G G 4 < TS+ 0 0 -79.9 -27.3 -179.1 59.2 99.4 36.7 154 -2.1 0 0.0 0 0.0 0 0.0 12 57
158 A 158 ASN N G G < < TS+ 0 0 -82.8 6.9 -179.9 120.2 71.8 71.4 155 -1.2 160 -0.9 154 -0.6 0 0.0 11 40
159 A 159 ASP D g X T - 0 0 -76.7 110.9 -177.4 -151.9 56.3 129.7 156 -0.6 162 -2.2 0 0.0 0 0.0 9 31
160 A 160 SER S T T 3 TS+ 0 0 -57.9 -21.7 -178.9 49.9 91.9 45.0 158 -0.9 0 0.0 0 0.0 0 0.0 6 23
161 A 161 THR T T T 3 TS+ 0 0 -101.4 11.7 -177.9 95.3 95.2 69.3 0 0.0 0 0.0 0 0.0 0 0.0 5 19
162 A 162 SER S S t X TS- 0 0 -97.4 169.1 177.7 -124.1 80.0 114.2 159 -2.2 165 -0.6 0 0.0 0 0.0 8 32
163 A 163 SER S T T 3 TS+ 0 0 -86.6 -8.3 -179.5 66.8 109.7 60.2 0 0.0 0 0.0 0 0.0 0 0.0 8 38
164 A 164 LEU L T T 3 TS+ 0 0 -93.1 8.9 -177.1 115.2 80.5 75.2 0 0.0 0 0.0 0 0.0 0 0.0 12 53
165 A 165 TYR Y t < T + 0 0 -88.7 146.0 179.9 176.5 37.8 126.2 162 -0.6 0 0.0 0 0.0 0 0.0 12 47
166 A 166 ASP D - 0 0 -148.3 113.5 -180.0 -165.3 18.4 156.3 0 0.0 0 0.0 0 0.0 0 0.0 9 49
167 A 167 SER S S S S+ 0 0 -71.8 -18.9 -179.6 87.1 79.1 47.8 0 0.0 169 -2.1 0 0.0 0 0.0 4 40
168 A 168 ASN N S S S+ 0 0 -79.8 59.5 -179.1 108.5 70.4 111.1 0 0.0 0 0.0 0 0.0 0 0.0 9 45
169 A 169 ARG R S S S- 0 0 -134.9 154.0 178.6 -91.4 84.7 158.0 167 -2.1 171 -0.8 0 0.0 0 0.0 12 49
170 A 170 ASN N g > T - 0 0 -68.1 107.2 -178.7 -158.6 35.5 125.2 247 -1.7 173 -1.9 0 0.0 0 0.0 12 48
171 A 171 GLN Q G G > TS+ 0 0 -64.6 -17.7 178.7 63.0 88.0 46.2 169 -0.8 174 -0.7 0 0.0 0 0.0 6 36
172 A 172 SER S G G 3 TS+ 0 0 -86.9 5.0 -178.7 55.5 101.2 65.1 0 0.0 0 0.0 0 0.0 0 0.0 5 33
173 A 173 HIS H G G < TS+ 0 0 -124.8 31.6 -179.0 137.3 76.2 92.9 170 -1.9 0 0.0 0 0.0 0 0.0 12 48
174 A 174 LEU L S g X TS- 0 0 -79.2 161.9 -179.2 -59.8 71.4 111.1 171 -0.7 177 -1.7 0 0.0 0 0.0 11 39
175 A 175 PRO P T T 3 TS+ 0 0 -4.2 -67.9 -179.5 51.8 126.7 62.5 0 0.0 0 0.0 0 0.0 0 0.0 10 37
176 A 176 PRO P T T 3 TS+ 0 0 -52.5 -42.0 -176.8 90.4 91.6 24.6 0 0.0 0 0.0 0 0.0 0 0.0 7 31
177 A 177 VAL V S t < TS- 0 0 -66.8 120.2 -179.3 -128.8 77.9 107.8 174 -1.7 0 0.0 0 0.0 0 0.0 9 38
178 A 178 VAL V - 0 0 -68.7 129.5 -179.7 -110.8 29.6 117.7 0 0.0 0 0.0 0 0.0 0 0.0 12 47
179 A 179 VAL V - 0 0 -60.4 147.6 175.9 -135.3 16.9 101.4 151 -2.1 181 -0.7 0 0.0 0 0.0 12 61
180 A 180 ASP D t > T - 0 0 -105.6 111.0 -179.6 -161.4 12.3 163.7 0 0.0 183 -1.5 0 0.0 0 0.0 10 56
181 A 181 LEU L T T 3 TS+ 0 0 -66.1 -22.4 179.0 46.4 91.9 43.4 179 -0.7 0 0.0 0 0.0 0 0.0 11 59
182 A 182 GLY G T T 3 TS+ 0 0 -107.0 27.4 -178.3 165.4 81.0 86.1 0 0.0 0 0.0 0 0.0 0 0.0 10 45
183 A 183 TYR Y t < T + 0 0 -48.0 124.1 179.8 174.9 12.1 98.8 180 -1.5 0 0.0 0 0.0 0 0.0 12 47
184 A 184 ASN N - 0 0 -119.6 18.8 179.2 -74.6 68.3 84.9 0 0.0 0 0.0 0 0.0 0 0.0 6 30
185 A 185 GLY G S S S+ 0 0 94.8 28.0 178.6 96.9 105.4 40.3 0 0.0 0 0.0 0 0.0 0 0.0 7 32
186 A 186 ALA A - 0 0 -152.8 125.8 177.6 -135.9 66.9 159.2 0 0.0 188 -1.2 0 0.0 0 0.0 5 29
187 A 187 ASP D - 0 0 -83.1 99.3 -179.4 -154.2 33.8 135.1 0 0.0 0 0.0 0 0.0 0 0.0 5 30
188 A 188 THR T - 0 0 -68.6 166.2 -177.7 -118.1 19.4 102.8 186 -1.2 0 0.0 0 0.0 0 0.0 4 25
189 A 189 ASP D + 0 0 -102.7 45.3 179.5 135.3 62.7 104.3 0 0.0 0 0.0 0 0.0 0 0.0 4 21
190 A 190 VAL V - 0 0 -96.7 158.8 179.2 -102.5 59.1 125.9 0 0.0 0 0.0 0 0.0 0 0.0 7 20
191 A 191 THR T h > T - 0 0 -68.9 151.7 177.9 -118.9 29.9 112.7 0 0.0 195 -3.1 0 0.0 0 0.0 6 19
192 A 192 ASP D H H > TS+ 0 0 -61.3 -31.5 179.5 56.7 118.6 31.4 0 0.0 196 -2.8 0 0.0 0 0.0 7 31
193 A 193 GLN Q H H > TS+ 0 0 -65.1 -43.1 -179.7 41.2 111.0 23.6 0 0.0 197 -2.1 0 0.0 0 0.0 7 25
194 A 194 GLN Q H H > TS+ 0 0 -69.7 -44.6 179.7 52.3 113.6 25.3 0 0.0 198 -2.6 0 0.0 0 0.0 8 25
195 A 195 ARG R H H X TS+ 0 0 -56.5 -47.3 178.9 48.3 111.7 17.2 191 -3.1 199 -2.7 0 0.0 0 0.0 12 40
196 A 196 ILE I H H X TS+ 0 0 -60.5 -47.4 -179.6 48.1 111.8 22.3 192 -2.8 200 -2.6 0 0.0 0 0.0 11 37
197 A 197 THR T H H X TS+ 0 0 -61.9 -39.4 179.0 48.8 112.6 28.0 193 -2.1 201 -2.6 0 0.0 0 0.0 8 31
198 A 198 ASP D H H X TS+ 0 0 -66.5 -43.2 -179.9 51.6 110.3 24.8 194 -2.6 202 -3.0 0 0.0 0 0.0 8 36
199 A 199 ASN N H H X TS+ 0 0 -59.8 -48.0 179.8 47.9 110.5 20.2 195 -2.7 203 -3.0 0 0.0 0 0.0 12 47
200 A 200 LEU L H H X TS+ 0 0 -58.5 -47.3 179.1 48.0 113.4 16.4 196 -2.6 204 -1.8 0 0.0 0 0.0 12 41
201 A 201 ALA A H H X TS+ 0 0 -58.0 -42.9 179.4 50.9 111.4 27.5 197 -2.6 205 -1.8 0 0.0 0 0.0 9 35
202 A 202 LEU L H H X TS+ 0 0 -61.4 -48.5 179.2 54.8 106.2 21.4 198 -3.0 206 -2.6 0 0.0 0 0.0 10 43
203 A 203 MET M H H X TS+ 0 0 -54.4 -43.5 -179.9 50.7 106.7 26.7 199 -3.0 207 -2.2 0 0.0 0 0.0 11 54
204 A 204 TYR Y H H X >TS+ 0 0 -62.4 -43.8 179.5 48.8 111.3 21.1 200 -1.8 208 -2.7 0 0.0 209 -1.1 11 39
205 A 205 LYS K H H < >TS+ 0 0 -60.6 -49.0 -177.9 42.4 115.9 18.5 201 -1.8 210 -3.0 0 0.0 0 0.0 10 36
206 A 206 GLN Q H H < 5TS+ 0 0 -70.5 -27.2 -179.3 39.1 122.4 41.2 202 -2.6 0 0.0 0 0.0 0 0.0 12 49
207 A 207 MET M H H < 5TS+ 0 0 -95.0 -24.8 -177.6 1.9 137.3 46.2 203 -2.2 0 0.0 0 0.0 0 0.0 13 52
208 A 208 VAL V T h < >5TS+ 0 0 -125.7 -70.9 -177.9 51.5 121.7 50.9 204 -2.7 211 -1.9 0 0.0 0 0.0 8 40
209 A 209 THR T T T 3 TS- 0 0 -122.1 167.0 179.3 -107.6 86.5 146.4 0 0.0 217 -1.7 0 0.0 0 0.0 7 33
214 A 214 ALA A H H > >TS+ 0 0 -61.7 -34.9 -178.6 56.1 118.7 33.3 0 0.0 218 -2.5 0 0.0 219 -0.9 11 46
215 A 215 GLU E H H > 5TS+ 0 0 -68.6 -34.7 -179.7 47.1 108.3 28.0 0 0.0 219 -0.6 0 0.0 0 0.0 11 42
216 A 216 LEU L H H 4 5TS+ 0 0 -75.3 -27.5 -178.0 28.1 126.8 33.8 0 0.0 234 -2.7 0 0.0 0 0.0 12 41
217 A 217 PHE F H H < 5TS+ 0 0 -97.5 -58.3 -178.6 35.7 128.1 23.7 213 -1.7 0 0.0 0 0.0 0 0.0 13 52
218 A 218 LEU L H H < 5TS- 0 0 -70.3 -23.8 -178.9 -123.3 108.9 39.9 214 -2.5 0 0.0 0 0.0 0 0.0 15 59
219 A 219 GLY G h < T - 0 0 -123.4 164.8 -179.1 -69.3 41.4 139.9 0 0.0 226 -2.4 0 0.0 0 0.0 10 47
224 A 224 ALA A T T 3 TS+ 0 0 -53.3 127.5 -179.6 18.2 121.6 106.4 1 -2.5 0 0.0 0 0.0 0 0.0 10 41
225 A 225 GLY G T T 3 TS+ 0 0 92.9 -10.7 179.6 132.8 96.0 72.1 0 0.0 0 0.0 0 0.0 0 0.0 8 32
226 A 226 ASP D t < T - 0 0 -73.1 151.9 177.3 -110.5 62.9 112.3 223 -2.4 0 0.0 0 0.0 0 0.0 7 36
227 A 227 ALA A - 0 0 -74.9 156.9 -179.6 -93.1 47.9 115.2 0 0.0 0 0.0 0 0.0 0 0.0 7 36
228 A 228 PRO P S S S+ 0 0 -74.4 168.2 177.5 23.7 92.7 102.6 0 0.0 0 0.0 0 0.0 0 0.0 11 40
229 A 229 SER S + 0 0 48.3 57.7 179.2 164.0 55.7 30.1 109 -0.5 0 0.0 0 0.0 0 0.0 10 39
230 A 230 PRO P - 0 0 -66.4 -39.9 -179.8 -29.8 69.8 25.9 0 0.0 0 0.0 0 0.0 0 0.0 10 34
231 A 231 GLY G - 0 0 175.3 125.2 179.4 -137.5 51.2 130.9 110 -2.6 220 -2.2 0 0.0 0 0.0 10 34
232 A 232 ALA A - 0 0 -81.1 153.5 177.6 -118.9 32.1 118.6 0 0.0 0 0.0 0 0.0 0 0.0 15 44
233 A 233 GLY G h > T - 0 0 -81.7 -176.1 -178.3 -87.9 37.4 103.1 0 0.0 237 -1.2 0 0.0 0 0.0 15 51
234 A 234 SER S H H > > TS+ 0 0 -57.5 -65.6 -177.4 41.6 123.5 12.5 216 -2.7 238 -1.6 0 0.0 237 -1.6 14 49
235 A 235 ILE I H H 4 3>TS+ 0 0 -53.9 -41.3 178.5 58.4 109.5 33.9 0 0.0 240 -2.0 0 0.0 0 0.0 12 62
236 A 236 GLU E H H 4 35TS+ 0 0 -59.1 -26.5 -178.2 39.9 115.9 33.9 0 0.0 0 0.0 0 0.0 0 0.0 11 60
237 A 237 THR T H H X <5TS+ 0 0 -88.2 -69.4 -175.0 29.9 117.6 11.3 234 -1.6 241 -0.7 233 -1.2 0 0.0 10 50
238 A 238 SER S T h < 5TS+ 0 0 -72.0 -45.4 179.1 14.5 132.6 37.3 234 -1.6 0 0.0 0 0.0 0 0.0 11 49
239 A 239 PRO P T h > 5TS+ 0 0 -99.1 -34.5 -179.3 55.2 123.3 36.1 0 0.0 243 -2.0 0 0.0 0 0.0 12 65
240 A 240 HIS H H H > TS+ 0 0 -51.2 -36.6 179.6 48.3 109.1 32.8 0 0.0 246 -1.6 0 0.0 0 0.0 15 55
243 A 243 ILE I H H X TS+ 0 0 -72.8 -37.8 177.7 55.6 106.9 30.2 239 -2.0 247 -2.2 0 0.0 0 0.0 14 67
244 A 244 HIS H H H X TS+ 0 0 -56.6 -51.9 -179.8 39.7 115.3 14.5 240 -1.3 248 -1.2 0 0.0 0 0.0 13 61
245 A 245 ARG R H H < TS+ 0 0 -71.3 -23.7 178.8 58.5 110.6 39.7 241 -2.4 0 0.0 0 0.0 0 0.0 14 51
246 A 246 TRP W H H < TS+ 0 0 -72.7 -36.9 179.0 41.1 111.9 30.7 242 -1.6 0 0.0 0 0.0 0 0.0 13 57
247 A 247 VAL V H H < TS+ 0 0 -81.9 -21.6 -178.6 108.3 94.8 44.5 243 -2.2 170 -1.7 0 0.0 0 0.0 11 65
248 A 248 GLY G S h < TS- 0 0 -61.9 141.8 -178.3 -116.0 75.9 105.2 244 -1.2 0 0.0 0 0.0 0 0.0 15 51
249 A 249 ASP D t > T - 0 0 -84.2 108.3 179.6 -162.4 17.7 130.9 256 -1.3 252 -2.0 0 0.0 0 0.0 14 45
250 A 250 PRO P T T 3 TS+ 0 0 -61.5 -19.3 179.3 71.2 86.9 46.5 0 0.0 0 0.0 0 0.0 0 0.0 10 35
251 A 251 ARG R T T 3 TS+ 0 0 -68.5 -20.2 179.4 80.8 87.6 42.2 0 0.0 0 0.0 0 0.0 0 0.0 6 26
252 A 252 ASN N S t X TS- 0 0 -90.2 139.0 -177.6 -127.5 86.9 134.0 249 -2.0 255 -2.2 0 0.0 0 0.0 8 34
253 A 253 THR T T T 3 TS+ 0 0 -53.8 -35.2 -179.7 30.6 112.1 36.4 0 0.0 0 0.0 0 0.0 0 0.0 7 27
254 A 254 ASN N T T 3 TS- 0 0 -113.9 26.8 -179.1 -99.2 121.1 90.2 0 0.0 0 0.0 0 0.0 0 0.0 10 35
255 A 255 ASN N t > < T - 0 0 56.2 40.6 -177.3 -130.3 59.6 31.0 252 -2.2 259 -1.3 0 0.0 0 0.0 13 44
256 A 256 GLU E T T 4 T + 0 0 -38.2 136.8 -176.7 2.4 62.2 76.8 0 0.0 249 -1.3 0 0.0 258 -0.6 15 44
257 A 257 ASP D T T 4 > TS+ 0 0 88.1 -109.3 -177.8 18.2 136.1 150.9 0 0.0 260 -1.6 0 0.0 0 0.0 16 56
258 A 258 MET M T T 4 3 TS+ 0 0 -56.5 -33.5 -178.0 67.8 118.0 34.7 256 -0.6 0 0.0 0 0.0 0 0.0 19 58
259 A 259 GLY G T T < 3 TS+ 0 0 -68.4 -4.3 179.3 40.6 102.0 65.4 255 -1.3 0 0.0 0 0.0 0 0.0 15 55
260 A 260 ASN N S t > X TS- 0 0 -146.7 137.0 -177.9 -130.9 75.1 167.5 257 -1.6 264 -2.7 0 0.0 263 -0.8 13 54
261 A 261 PHE F T T 4 3 TS+ 0 0 -57.8 -33.3 -179.4 59.7 105.1 40.0 0 0.0 0 0.0 0 0.0 0 0.0 12 68
262 A 262 TYR Y T T 4 3 TS+ 0 0 -63.1 -37.8 -176.9 25.7 121.3 19.8 0 0.0 0 0.0 0 0.0 0 0.0 13 58
263 A 263 SER S T g 4 X TS+ 0 0 -97.2 -27.9 -177.8 96.8 92.1 47.2 260 -0.8 266 -2.5 0 0.0 0 0.0 14 58
264 A 264 ALA A G G < > TS+ 0 0 -34.9 -46.7 179.9 61.3 78.0 39.5 260 -2.7 267 -1.9 0 0.0 0 0.0 15 64
265 A 265 GLY G G G 3 TS+ 0 0 -67.2 0.0 179.1 75.8 86.9 64.3 0 0.0 0 0.0 0 0.0 0 0.0 16 62
266 A 266 ARG R G G < TS+ 0 0 -84.5 -11.4 -179.9 68.2 88.5 59.5 263 -2.5 268 -0.5 0 0.0 0 0.0 11 57
267 A 267 ASP D S g X TS- 0 0 -114.0 119.5 -179.5 -146.3 77.0 164.8 264 -1.9 270 -3.0 0 0.0 0 0.0 13 66
268 A 268 ILE I T h > > TS+ 0 0 -54.9 -25.2 178.7 74.5 98.1 36.9 266 -0.5 272 -1.5 0 0.0 271 -1.3 10 69
269 A 269 ALA A H H > 3 TS+ 0 0 -57.9 -26.1 179.2 68.4 84.0 35.4 0 0.0 273 -2.6 0 0.0 0 0.0 8 74
270 A 270 PHE F H H > < TS+ 0 0 -58.8 -40.8 -178.9 44.4 101.7 25.3 267 -3.0 274 -2.1 0 0.0 0 0.0 12 70
271 A 271 TYR Y H H > < TS+ 0 0 -75.3 -36.2 178.2 50.7 112.0 26.4 268 -1.3 275 -1.5 0 0.0 0 0.0 12 70
272 A 272 CYS C H H X TS+ 0 0 -68.1 -40.5 178.1 45.5 113.6 26.8 268 -1.5 143 -2.9 0 0.0 276 -1.0 13 68
273 A 273 HIS H H H X > TS+ 0 0 -65.5 -49.4 179.2 46.2 115.9 19.5 269 -2.6 277 -1.6 0 0.0 276 -0.6 13 70
274 A 274 HIS H H H X 3 TS+ 0 0 -67.0 -23.7 177.6 61.7 103.9 45.6 270 -2.1 278 -2.4 0 0.0 0 0.0 11 65
275 A 275 SER S H H X 3 TS+ 0 0 -72.2 -28.5 178.1 44.1 108.9 34.6 271 -1.5 279 -1.3 0 0.0 0 0.0 13 64
276 A 276 ASN N H H X < TS+ 0 0 -81.1 -34.0 177.5 53.4 110.8 37.0 272 -1.0 280 -1.8 273 -0.6 0 0.0 12 68
277 A 277 VAL V H H X > TS+ 0 0 -61.0 -53.6 178.1 48.2 110.4 10.9 273 -1.6 281 -1.5 0 0.0 280 -0.8 10 67
278 A 278 ASP D H H X 3 TS+ 0 0 -52.5 -45.0 178.2 54.9 108.2 29.2 274 -2.4 282 -1.7 0 0.0 0 0.0 11 69
279 A 279 ARG R H H X 3 TS+ 0 0 -57.7 -38.0 -179.7 61.0 99.7 30.7 275 -1.3 283 -2.2 0 0.0 0 0.0 9 65
280 A 280 MET M H H X < TS+ 0 0 -56.2 -44.2 177.3 50.9 102.7 19.9 276 -1.8 284 -3.5 277 -0.8 0 0.0 10 69
281 A 281 TRP W H H X TS+ 0 0 -53.6 -56.1 179.5 50.1 109.8 16.7 277 -1.5 285 -2.4 0 0.0 0 0.0 9 64
282 A 282 THR T H H < TS+ 0 0 -53.1 -36.4 179.4 45.8 113.9 35.4 278 -1.7 0 0.0 0 0.0 0 0.0 9 49
283 A 283 ILE I H H X > TS+ 0 0 -75.7 -44.6 -179.7 53.1 109.9 19.4 279 -2.2 286 -1.4 0 0.0 287 -0.9 8 50
284 A 284 TRP W H H X > TS+ 0 0 -57.9 -40.5 179.3 58.2 102.4 32.7 280 -3.5 287 -0.6 0 0.0 288 -0.5 9 45
285 A 285 GLN Q H H < 3 TS+ 0 0 -62.2 -24.9 -179.3 45.2 110.2 44.3 281 -2.4 0 0.0 0 0.0 0 0.0 9 36
286 A 286 GLN Q H H 4 < TS+ 0 0 -95.1 -14.2 179.6 73.7 95.0 53.8 283 -1.4 0 0.0 0 0.0 0 0.0 6 28
287 A 287 LEU L H H < < T 0 0 -70.5 -17.3 -179.9 999.9 999.9 48.2 283 -0.9 0 0.0 284 -0.6 0 0.0 5 27
288!A 288 ALA A h < T 0 0 -37.9 999.9 999.9 999.9 999.9 35.5 284 -0.5 0 0.0 0 0.0 0 0.0 5 22
289!A 294 ARG R 0 0 999.9 -22.2 -179.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 33
290 A 295 ASP D - 0 0 -75.5 161.1 177.3 -88.4 999.9 108.7 0 0.0 0 0.0 0 0.0 0 0.0 6 44
291 A 296 TYR Y - 0 0 -61.4 153.6 176.8 -159.7 27.2 106.6 0 0.0 0 0.0 0 0.0 0 0.0 8 41
292 A 297 THR T + 0 0 -118.0 5.8 178.7 135.2 44.7 73.7 0 0.0 0 0.0 0 0.0 0 0.0 6 31
293 A 298 ASP D h > T - 0 0 -56.2 130.2 178.0 -144.7 53.7 110.4 0 0.0 297 -2.3 0 0.0 0 0.0 6 33
294 A 299 SER S H H > TS+ 0 0 -67.4 -29.8 179.5 59.9 100.0 34.2 0 0.0 298 -2.0 0 0.0 0 0.0 7 26
295 A 300 ASP D H H 4 TS+ 0 0 -66.9 -34.0 177.6 41.8 109.8 29.5 0 0.0 3 -0.5 0 0.0 0 0.0 10 32
296 A 301 TRP W H H 4 > TS+ 0 0 -74.3 -58.8 -179.2 47.2 116.3 12.4 0 0.0 299 -1.7 0 0.0 0 0.0 17 47
297 A 302 LEU L H H < 3 TS+ 0 0 -56.5 -28.2 -179.3 43.1 117.1 41.8 293 -2.3 316 -2.3 0 0.0 0 0.0 12 42
298 A 303 ASN N T h < 3 TS+ 0 0 -98.8 -2.9 178.6 118.9 82.7 64.4 294 -2.0 0 0.0 0 0.0 0 0.0 10 38
299 A 304 ALA A e < T - 0 0 -60.9 140.9 -174.4 -156.0 53.5 115.8 296 -1.7 315 -2.7 0 0.0 0 0.0 13 54
300 A 305 THR T E E AD - 314 0 -128.0 154.2 177.5 -169.7 19.4 151.0 3 -2.2 0 0.0 0 0.0 0 0.0 12 56
301 A 306 PHE F E E AD - 313 0 -133.0 165.9 178.5 -126.4 21.0 154.6 313 -2.5 313 -3.1 0 0.0 0 0.0 12 66
302 A 307 LEU L E E AD + 312 0 -122.1 123.8 179.1 160.6 33.7 165.0 0 0.0 0 0.0 0 0.0 0 0.0 10 71
303 A 308 PHE F E E AD - 311 0 -132.0 162.7 175.5 -120.7 37.6 150.1 311 -2.3 311 -3.7 0 0.0 0 0.0 10 68
304 A 309 TYR Y E E AD - 310 0 -102.5 135.1 179.8 -139.8 34.9 155.2 0 0.0 0 0.0 0 0.0 0 0.0 12 59
305 A 310 ASP D e > T - 0 0 -86.7 -175.6 179.8 -81.2 34.3 102.3 309 -2.4 308 -2.5 0 0.0 0 0.0 12 48
306 A 311 GLU E T T 3 TS+ 0 0 -55.2 -27.2 -178.8 54.0 130.4 44.2 0 0.0 0 0.0 0 0.0 0 0.0 11 47
307 A 312 ASN N T T 3 TS- 0 0 -91.9 8.1 -179.8 -109.4 118.7 75.4 0 0.0 0 0.0 0 0.0 0 0.0 6 37
308 A 313 GLY G S t < TS+ 0 0 70.4 23.8 177.5 142.5 71.5 37.9 305 -2.5 0 0.0 0 0.0 0 0.0 9 41
309 A 314 GLN Q e - 0 0 -96.8 138.7 178.3 -120.8 55.0 141.9 0 0.0 305 -2.4 0 0.0 311 -0.5 9 36
310 A 315 ALA A E E AaD - 35 304 -81.2 130.4 -173.8 -170.8 40.0 140.3 34 -0.6 36 -2.2 0 0.0 0 0.0 12 42
311 A 316 VAL V E E AaD - 36 303 -132.9 140.7 -179.7 -141.1 25.6 157.7 303 -3.7 303 -2.3 309 -0.5 313 -0.6 12 45
312 A 317 LYS K E E AaD - 37 302 -101.2 129.8 -173.3 -170.4 27.9 150.3 36 -2.9 38 -3.5 0 0.0 0 0.0 13 47
313 A 318 VAL V E E A D - 0 301 -125.9 140.1 -179.6 -141.8 12.2 155.7 301 -3.1 301 -2.5 311 -0.6 0 0.0 13 46
314 A 319 ARG R E E A D> T - 0 300 -108.7 140.9 -179.7 -135.6 15.9 146.8 0 0.0 317 -2.0 0 0.0 0 0.0 12 52
315 A 320 ILE I G e > TS+ 0 0 -54.6 -34.1 -179.0 68.8 103.5 35.2 299 -2.7 318 -1.7 0 0.0 0 0.0 14 55
316 A 321 GLY G G G 3 TS+ 0 0 -60.6 -22.2 -179.4 55.6 94.3 45.1 297 -2.3 0 0.0 0 0.0 0 0.0 9 43
317 A 322 ASP D G G < TS+ 0 0 -89.0 -4.0 -177.4 64.8 97.4 57.1 314 -2.0 0 0.0 0 0.0 0 0.0 9 45
318 A 323 SER S g < T + 0 0 -102.5 7.8 -178.7 96.0 68.4 67.7 315 -1.7 0 0.0 0 0.0 0 0.0 11 50
319 A 324 LEU L S S S+ 0 0 -68.3 -28.8 -179.0 51.1 82.5 37.6 0 0.0 321 -0.6 0 0.0 0 0.0 7 50
320 A 325 ASP D h > > T - 0 0 -116.5 101.7 -178.0 -170.7 61.2 148.8 0 0.0 324 -1.1 0 0.0 323 -0.8 7 41
321 A 326 ASN N H H > 3>TS+ 0 0 -57.9 -33.1 178.4 60.5 87.8 33.4 319 -0.6 326 -1.7 0 0.0 325 -0.5 10 51
322 A 327 GLN Q H H 4 >5TS+ 0 0 -61.1 -41.8 179.5 50.2 103.4 25.8 0 0.0 325 -1.2 0 0.0 0 0.0 8 34
323 A 328 LYS K H H 4 <5TS+ 0 0 -69.2 -20.5 177.7 57.7 106.6 39.1 320 -0.8 0 0.0 0 0.0 0 0.0 8 29
324 A 329 MET M H H < 35TS- 0 0 -83.7 -11.5 176.8 -104.7 124.1 56.4 320 -1.1 0 0.0 0 0.0 0 0.0 11 49
325 A 330 GLY G T h < <5TS+ 0 0 99.2 20.4 178.1 80.7 83.4 43.7 322 -1.2 47 -2.4 321 -0.5 0 0.0 11 42
326 A 331 TYR Y E E Bb T + 0 0 -108.6 77.7 -179.3 169.2 28.3 137.0 0 0.0 336 -1.4 0 0.0 0 0.0 7 40
334 A 339 PRO P T T 3 TS+ 0 0 -65.2 -20.7 -179.7 57.2 74.1 47.8 0 0.0 0 0.0 0 0.0 0 0.0 8 29
335 A 340 TRP W T T 3 T 0 0 -83.8 -16.2 -178.2 999.9 999.9 52.3 0 0.0 0 0.0 0 0.0 0 0.0 9 35
336 A 341 LEU L t < T 0 0 -79.3 999.9 999.9 999.9 999.9 9.7 333 -1.4 0 0.0 0 0.0 0 0.0 4 30
1bt3A.pdb
1BT3 OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand GGG SS TT TT S S SSEEE SS EEE BGGG HHHHHHHHHHHHHHHTS TTSTTSHHHHHHHHHHHHTT EETT Kabs/Sand
chirality ------+++--+--++--++-+-+++-----+---------++-------+++--++++++++++++++++--++-++-++++++++++++-++---++ chirality
bends SSS SS SS SS S S SS SS SSS SSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSS SS bends
turns TTTTT TTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTT turns
5-turns >5555< 5-turns
3-turns >>3<< >33<>33< >>3<< >33<>33X33< >33< >33 3-turns
bridge-2 bridge-2
bridge-1 aaa bbb a CC bridge-1
sheets AAA BBB CC sheets
4-turns >>>>XXXXXXXXX<<<< >>>>XXXXXX<<<< 4-turns
summary gGGGg SStTTttTTtS S SeEEEe SS EEE BGGGghHHHHHHHHHHHHHHHhttTTtTThHHHHHHHHHHHHhTteEETT summary
sequence APIQAPEISKCVVPPADLPPGAVVDNCCPPVASNIVDYKLPAVTTMKVRPAAHTMDKDAIAKFAKAVELMKALPADDPRNFYQQALVHCAYCNGGYDQVN sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEEE SSSTTHHHHHHHHHHHHHHHHHHHHT TT B TTSGGGSS GGGG TTSTT SSS GGGSTTS TT S HHHHHHHHH Kabs/Sand
chirality +++----+++-+++++++++++++++++++++-+-++------+++-++++---++++-++-+++-++--+++-++----+++-+---+--+++++++++ chirality
bends SSS SSSSSSSSSSSSSSSSSSSSSSSSSS SS SSSSSSS SSSS SSSSS SSS SSSSSSS SS S SSSSSSSSS bends
turns TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTT TTTTTTTTTTTT TTTTTTTT TTTT TTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns X33< >33< >33<>33< >33X>3<< >>><>333< 3-turns
bridge-2 bridge-2
bridge-1 C***C a bridge-1
sheets CCCCC sheets
4-turns >>>>XXXXXXXXXXXXXX<<<< >444< >444< >>>>XXXXXX 4-turns
summary EEEEEe SStThHHHHHHHHHHHHHHHHHHHHhtTTt B tTTgGGGgS gGGGGgTTtTTt SSSgGGGgTTt tTTt S hHHHHHHHHH summary
sequence FPDQEIQVHNSWLFFPFHRWYLYFYERILGKLIGDPSFGLPFWNWDNPGGMVLPDFLNDSTSSLYDSNRNQSHLPPVVVDLGYNGADTDVTDQQRITDNL sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHTTT SSHHHHH TT S HHHHTTHHHHHHHHS TTSTT TTTTSTTTGGGSTHHHHHHHHHHHHHHHHHHH HHHHT E Kabs/Sand
chirality ++++++++++++-++++----+-++--++----++++++++++++++--++-+--++++-++++++-+++++++++++++++++++ --+-+++++-- chirality
bends SSSSSSSSSS SSSSSSS SS S SSSSSSSSSSSSSSS SSSSS SSSSSSSSSSSSSSSSSSSSSSSSSSSSSS SSSSS bends
turns TTTTTTTTTTT TTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTT turns
5-turns >>555<< >5555< >5555< 5-turns
3-turns >33< >33< >33< >33X33< >33X33X>33<< >33<>33< >>3<< >33< 3-turns
bridge-2 bridge-2
bridge-1 D bridge-1
sheets A sheets
4-turns XXXX<<<< >>>4<<< >>44X<>>X>XX<<<< >444<>444< >>>>XXXXXXXXXX>44<< 4-turns
summary HHHHHHHhTTtShHHHHHh tTTt S hHHHHhhHHHHHHHHhtTTtTTtTTTTtTTgGGGghHHHHHHHHHHHHHHHHHHHh hHHHHheE summary
sequence ALMYKQMVTNAGTAELFLGKAYRAGDAPSPGAGSIETSPHIPIHRWVGDPRNTNNEDMGNFYSAGRDIAFYCHHSNVDRMWTIWQQLARDYTDSDWLNAT sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand EEEE TTS EEEEEGGG S HHHHTEEE TT Kabs/Sand
chirality -+---+-+------+++++-+++-++---+--++ chirality
bends SSS SSS S SSSSS S bends
turns TTTT TTTTT TTTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >>3<< >3><3< >33< 3-turns
bridge-2 DDDDD bridge-2
bridge-1 DDDD aaa bbb bridge-1
sheets AAAA AAAAA BBB sheets
4-turns >>44<< 4-turns
summary EEEEeTTteEEEEEeGGgShHHHHhEEEe tTTt summary
sequence FLFYDENGQAVKVRIGDSLDNQKMGYKYAKTPLPWL sequence
310 320 330
Messages
chain break between 288(A 288 ) and 289(A 294 )