Secondary structure calculation program - copyright by David Keith Smith, 1989
1g6sA.pdb
1G6S TRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 427
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 MET M 0 0 999.9 116.4 178.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 17
2 A 2 GLU E e + 0 0 -75.4 153.9 176.9 175.9 999.9 114.2 0 0.0 405 -2.9 0 0.0 0 0.0 6 21
3 A 3 SER S E E AA - 404 0 -154.2 160.9 176.4 -151.9 20.8 169.1 0 0.0 0 0.0 0 0.0 0 0.0 9 30
4 A 4 LEU L E E AA - 403 0 -135.2 138.9 177.6 -148.9 11.1 176.8 403 -2.0 403 -3.2 0 0.0 6 -0.5 9 39
5 A 5 THR T E E AA - 402 0 -112.1 128.1 178.7 -151.3 9.6 158.4 0 0.0 7 -0.6 0 0.0 0 0.0 8 39
6 A 6 LEU L E E AA - 401 0 -99.3 124.8 175.2 -140.8 10.6 152.6 401 -3.0 401 -1.6 4 -0.5 0 0.0 10 46
7 A 7 A GLN Q - 0 0 -76.0 154.4 178.1 -76.9 42.5 115.4 5 -0.6 0 0.0 0 0.0 0 0.0 8 37
8 A 8 PRO P - 0 0 -52.7 138.2 179.5 -141.3 45.4 104.5 0 0.0 10 -0.6 0 0.0 0 0.0 10 38
9 A 9 ILE I - 0 0 -106.8 115.5 -177.7 -162.9 9.7 156.5 395 -2.9 0 0.0 0 0.0 0 0.0 12 44
10 A 10 ALA A - 0 0 -69.2 -32.7 -176.0 -12.6 69.0 33.1 8 -0.6 0 0.0 425 -0.6 0 0.0 11 35
11 A 11 A ARG R E E BB - 425 0 -163.4 150.8 172.2 -141.3 58.4 167.8 425 -1.3 425 -3.1 0 0.0 0 0.0 12 42
12 A 12 VAL V E E BBc + 424 257 -122.5 147.6 179.9 147.9 30.8 168.2 256 -1.7 258 -0.5 0 0.0 0 0.0 15 49
13 A 13 ASP D E E B * + 0 0 -170.8 139.7 176.6 66.7 26.9 154.6 423 -1.9 0 0.0 0 0.0 0 0.0 12 43
14 A 14 GLY G E E B c - 0 260 145.3 -164.1 -177.7 -63.2 67.9 158.2 259 -2.4 261 -2.7 0 0.0 0 0.0 9 42
15 A 15 THR T E E B c - 0 261 -131.1 133.1 176.7 -165.7 29.8 169.2 0 0.0 0 0.0 0 0.0 0 0.0 9 46
16 A 16 A ILE I E E B c - 0 262 -118.8 129.2 174.9 -146.9 14.5 171.0 261 -2.5 263 -2.7 0 0.0 18 -0.8 12 48
17 A 17 ASN N E E B c - 0 263 -93.3 113.1 -173.2 -125.5 37.5 149.0 0 0.0 0 0.0 0 0.0 0 0.0 8 49
18 A 18 LEU L e - 0 0 -66.6 149.7 176.3 -117.5 8.6 100.1 263 -2.1 0 0.0 16 -0.8 0 0.0 11 57
19 A 19 PRO P - 0 0 -73.0 164.4 179.9 -79.0 53.9 114.9 0 0.0 242 -2.8 0 0.0 0 0.0 12 57
20 A 20 GLY G B B A - 241 0 -66.2 157.1 178.8 -91.3 51.8 99.8 0 0.0 0 0.0 0 0.0 0 0.0 15 60
21 A 21 SER S h > T - 0 0 -69.0 128.3 175.5 -152.9 24.8 119.6 240 -3.0 25 -2.5 0 0.0 0 0.0 13 67
22 A 22 LYS K H H > TS+ 0 0 -64.4 -45.5 -178.9 51.5 95.8 23.7 0 0.0 26 -2.5 0 0.0 0 0.0 11 66
23 A 23 SER S H H > TS+ 0 0 -59.4 -47.3 179.1 39.8 115.9 25.0 0 0.0 27 -1.4 0 0.0 0 0.0 8 77
24 A 24 VAL V H H > TS+ 0 0 -68.6 -43.1 -178.2 56.5 113.2 22.9 0 0.0 28 -3.0 0 0.0 0 0.0 11 70
25 A 25 SER S H H X TS+ 0 0 -56.8 -49.8 -177.1 43.2 109.1 22.6 21 -2.5 29 -2.3 0 0.0 0 0.0 13 69
26 A 26 ASN N H H X TS+ 0 0 -72.0 -31.0 175.3 48.2 115.4 30.2 22 -2.5 30 -1.8 0 0.0 0 0.0 13 74
27 A 27 ARG R H H X TS+ 0 0 -67.6 -44.2 -177.7 50.3 112.4 20.6 23 -1.4 31 -2.7 0 0.0 0 0.0 11 79
28 A 28 ALA A H H X TS+ 0 0 -62.8 -37.3 179.2 50.3 110.1 27.0 24 -3.0 32 -2.4 0 0.0 0 0.0 10 79
29 A 29 LEU L H H X TS+ 0 0 -67.9 -44.5 -179.4 44.7 112.6 20.9 25 -2.3 33 -2.1 0 0.0 0 0.0 11 85
30 A 30 LEU L H H X TS+ 0 0 -65.4 -43.5 -180.0 46.1 116.1 19.3 26 -1.8 34 -2.0 0 0.0 0 0.0 10 87
31 A 31 LEU L H H X TS+ 0 0 -66.8 -38.7 177.3 52.2 112.0 26.1 27 -2.7 35 -2.2 0 0.0 0 0.0 12 78
32 A 32 ALA A H H < TS+ 0 0 -62.0 -37.4 -179.1 49.8 109.6 27.0 28 -2.4 0 0.0 0 0.0 0 0.0 17 69
33 A 33 ALA A H H < TS+ 0 0 -68.7 -36.3 -179.6 43.5 114.7 27.7 29 -2.1 78 -3.1 0 0.0 0 0.0 14 63
34 A 34 LEU L H H < TS+ 0 0 -77.8 -25.2 -174.7 90.1 103.0 38.9 30 -2.0 80 -1.7 0 0.0 0 0.0 13 66
35 A 35 ALA A S h < TS- 0 0 -73.0 166.7 171.7 -111.7 80.0 93.4 31 -2.2 79 -2.5 0 0.0 0 0.0 15 53
36 A 36 HIS H B B b S+ 232 0 -94.1 134.9 178.9 21.7 80.7 146.7 231 -2.0 233 -2.8 0 0.0 0 0.0 14 39
37 A 37 GLY G S e S- 0 0 101.6 175.8 -178.0 -55.3 96.6 108.3 0 0.0 77 -2.2 0 0.0 39 -0.5 10 36
38 A 38 LYS K E E CD - 76 0 -99.7 125.5 176.9 -163.1 45.7 145.8 0 0.0 0 0.0 0 0.0 0 0.0 11 38
39 A 39 THR T E E CD - 75 0 -106.4 137.1 176.0 -157.7 5.8 153.8 75 -2.2 75 -3.0 37 -0.5 41 -0.6 15 48
40 A 40 VAL V E E CDe - 74 236 -114.4 115.0 178.6 -166.3 11.6 163.8 235 -2.6 237 -2.9 0 0.0 0 0.0 11 44
41 A 41 LEU L E E CDe - 73 237 -100.0 132.1 177.0 -169.9 4.6 151.7 73 -3.0 73 -2.5 39 -0.6 0 0.0 15 55
42 A 42 THR T E E C e + 0 238 -121.5 156.5 -175.5 26.6 67.7 152.3 237 -2.3 239 -3.0 0 0.0 0 0.0 11 45
43 A 43 ASN N S S S+ 0 0 62.9 25.7 175.9 168.8 81.3 42.1 0 0.0 0 0.0 0 0.0 0 0.0 12 46
44 A 44 LEU L - 0 0 -63.0 142.8 177.7 -109.5 38.8 111.7 71 -2.7 0 0.0 0 0.0 0 0.0 15 58
45 A 45 LEU L - 0 0 -77.4 134.7 170.0 -151.0 19.6 128.2 0 0.0 47 -0.8 0 0.0 0 0.0 13 59
46 A 46 ASP D + 0 0 -101.4 104.7 178.9 118.0 50.8 158.2 0 0.0 0 0.0 0 0.0 0 0.0 14 50
47 A 47 SER S S h > TS- 0 0 -156.3 171.4 -177.1 -89.8 78.5 162.8 45 -0.8 51 -2.9 0 0.0 0 0.0 11 53
48 A 48 ASP D H H > TS+ 0 0 -58.7 -44.5 -176.6 53.2 121.7 23.9 410 -2.9 52 -2.6 0 0.0 0 0.0 11 49
49 A 49 ASP D H H > TS+ 0 0 -61.6 -34.6 179.8 42.2 114.3 29.5 411 -1.9 53 -1.1 0 0.0 0 0.0 16 61
50 A 50 VAL V H H > TS+ 0 0 -77.8 -39.5 177.9 56.2 110.8 26.4 0 0.0 54 -2.9 0 0.0 0 0.0 13 61
51 A 51 ARG R H H X TS+ 0 0 -59.0 -38.7 178.8 52.5 105.4 26.5 47 -2.9 55 -2.8 0 0.0 0 0.0 9 52
52 A 52 HIS H H H X TS+ 0 0 -66.4 -37.1 176.3 47.4 110.1 25.5 48 -2.6 56 -1.8 0 0.0 0 0.0 13 49
53 A 53 MET M H H X TS+ 0 0 -65.8 -44.9 178.6 50.1 112.6 19.5 49 -1.1 57 -2.5 0 0.0 0 0.0 13 63
54 A 54 LEU L H H X TS+ 0 0 -58.7 -42.9 -179.5 48.4 111.6 22.3 50 -2.9 58 -2.6 0 0.0 0 0.0 9 57
55 A 55 ASN N H H X TS+ 0 0 -67.2 -34.5 179.9 51.8 109.9 30.5 51 -2.8 59 -2.4 0 0.0 0 0.0 8 45
56 A 56 ALA A H H X TS+ 0 0 -67.3 -43.4 178.4 49.1 109.4 21.8 52 -1.8 60 -1.9 0 0.0 0 0.0 11 55
57 A 57 LEU L H H < >TS+ 0 0 -60.9 -43.6 177.5 51.8 110.4 22.9 53 -2.5 62 -2.6 0 0.0 0 0.0 12 56
58 A 58 THR T H H < >5TS+ 0 0 -56.3 -49.0 -179.0 48.7 110.1 18.8 54 -2.6 61 -1.6 0 0.0 0 0.0 9 39
59 A 59 ALA A H H < 35TS+ 0 0 -61.2 -29.9 -179.1 55.1 107.7 35.0 55 -2.4 0 0.0 0 0.0 0 0.0 8 37
60 A 60 LEU L T h < 35TS- 0 0 -82.9 -2.9 177.2 -103.4 124.2 62.0 56 -1.9 0 0.0 0 0.0 0 0.0 9 50
61 A 61 GLY G T T <5T + 0 0 94.6 11.5 179.7 150.2 68.3 55.1 58 -1.6 0 0.0 0 0.0 0 0.0 6 36
62 A 62 VAL V t T - 0 0 -72.8 170.3 -179.8 -90.7 43.1 102.2 72 -2.3 70 -1.9 0 0.0 0 0.0 8 22
68 A 68 ALA A T T 3 TS+ 0 0 -52.4 -40.4 -179.0 42.2 129.9 31.9 0 0.0 0 0.0 0 0.0 0 0.0 5 16
69 A 69 ASP D T T 3 TS- 0 0 -92.3 7.4 178.0 -123.9 109.2 67.1 0 0.0 0 0.0 0 0.0 0 0.0 7 23
70 A 70 ARG R S t < TS+ 0 0 61.9 19.9 178.6 107.5 84.8 49.9 67 -1.9 0 0.0 0 0.0 0 0.0 10 41
71 A 71 THR T + 0 0 -103.6 -6.3 175.0 62.3 67.0 62.9 0 0.0 44 -2.7 0 0.0 0 0.0 14 49
72 A 72 ARG R e - 0 0 -119.9 127.0 -177.5 -179.3 65.5 172.1 0 0.0 67 -2.3 0 0.0 0 0.0 12 41
73 A 73 CYS C E E CDF - 41 66 -130.1 127.2 178.2 -161.8 16.9 171.0 41 -2.5 41 -3.0 0 0.0 75 -0.7 14 51
74 A 74 A GLU E E E CDF - 40 65 -110.3 110.8 -175.7 -167.8 20.1 158.2 65 -2.3 65 -1.9 0 0.0 0 0.0 11 45
75 A 75 ILE I E E CDF - 39 64 -105.7 130.2 176.6 -145.6 18.8 149.1 39 -3.0 39 -2.2 73 -0.7 77 -0.8 15 53
76 A 76 ILE I E E CDF - 38 63 -90.6 111.1 -177.8 -128.6 32.8 144.5 63 -2.8 63 -0.5 0 0.0 0 0.0 13 42
77 A 77 GLY G e - 0 0 -64.7 147.4 179.7 -139.3 2.9 105.5 37 -2.2 0 0.0 75 -0.8 0 0.0 15 43
78 A 78 ASN N - 0 0 -77.6 -18.0 -178.7 -130.4 31.1 50.5 33 -3.1 0 0.0 0 0.0 0 0.0 12 40
79 A 79 GLY G S S S+ 0 0 68.8 36.8 178.1 4.5 76.1 26.1 35 -2.5 0 0.0 0 0.0 0 0.0 11 41
80 A 80 GLY G S S S- 0 0 144.7 179.2 -179.8 -14.0 109.2 147.5 34 -1.7 0 0.0 0 0.0 0 0.0 10 49
81 A 81 PRO P - 0 0 -48.9 143.8 178.1 -116.8 65.6 95.5 0 0.0 0 0.0 0 0.0 0 0.0 11 57
82 A 82 LEU L - 0 0 -83.1 147.1 -178.4 -160.4 34.5 124.0 0 0.0 0 0.0 0 0.0 0 0.0 10 60
83 A 83 HIS H + 0 0 -139.2 148.4 174.6 150.4 24.0 167.5 0 0.0 0 0.0 0 0.0 0 0.0 8 47
84 A 84 ALA A - 0 0 -161.6 155.5 -179.6 -165.0 16.5 161.8 0 0.0 112 -2.0 0 0.0 0 0.0 10 39
85 A 85 GLU E t > T + 0 0 -130.7 -172.5 177.9 70.1 57.9 130.8 0 0.0 88 -0.7 0 0.0 0 0.0 8 29
86 A 86 GLY G T T 3 TS- 0 0 70.4 24.5 -178.1 -74.5 117.4 44.9 0 0.0 0 0.0 0 0.0 0 0.0 6 22
87 A 87 ALA A T T 3 T - 0 0 53.5 41.2 179.0 -160.9 68.1 27.0 112 -1.0 0 0.0 0 0.0 0 0.0 9 33
88 A 88 LEU L E E Dg < T - 113 0 -52.3 129.6 180.0 -131.2 11.8 109.3 112 -1.3 114 -3.2 85 -0.7 90 -0.5 9 36
89 A 89 GLU E E E Dg - 114 0 -94.4 125.6 176.1 -166.6 19.6 141.1 0 0.0 91 -0.6 0 0.0 0 0.0 8 41
90 A 90 LEU L E E Dg - 115 0 -109.2 121.5 -179.8 -151.1 10.8 163.4 114 -3.0 116 -2.6 88 -0.5 92 -0.6 11 55
91 A 91 PHE F E E Dg - 116 0 -96.2 121.4 -171.9 -179.8 15.6 146.2 89 -0.6 0 0.0 0 0.0 0 0.0 10 44
92 A 92 LEU L e > T - 0 0 -114.1 21.2 178.3 -144.6 22.1 83.5 116 -2.7 95 -2.5 90 -0.6 0 0.0 15 53
93 A 93 GLY G T T 3 T - 0 0 56.2 -125.4 174.6 -44.9 66.7 107.4 0 0.0 118 -2.4 0 0.0 0 0.0 11 47
94 A 94 ASN N T T 3 TS+ 0 0 -127.9 37.3 -178.0 138.3 95.4 97.9 0 0.0 96 -1.0 0 0.0 0 0.0 10 56
95 A 95 ALA A h > X T - 0 0 -88.7 99.6 178.2 -178.6 29.4 134.8 92 -2.5 99 -3.0 0 0.0 98 -1.5 11 67
96 A 96 GLY G H H > 3 TS+ 0 0 -62.9 -33.9 -178.1 62.4 83.4 29.9 94 -1.0 100 -2.7 0 0.0 0 0.0 7 72
97 A 97 THR T H H 4 3 TS+ 0 0 -72.5 -5.6 169.8 35.0 113.7 57.3 0 0.0 0 0.0 0 0.0 0 0.0 11 70
98 A 98 ALA A H H > < TS+ 0 0 -104.2 -49.7 -177.7 48.5 119.6 45.0 95 -1.5 102 -2.5 0 0.0 0 0.0 13 75
99 A 99 MET M H H X TS+ 0 0 -57.4 -51.1 -176.6 41.4 114.7 22.1 95 -3.0 103 -2.0 0 0.0 0 0.0 10 74
100 A 100 ARG R H H X TS+ 0 0 -68.3 -49.6 -179.9 43.3 118.9 11.0 96 -2.7 104 -1.5 0 0.0 0 0.0 13 75
101 A 101 PRO P H H > TS+ 0 0 -62.4 -40.8 180.0 46.4 117.1 23.1 0 0.0 105 -2.9 0 0.0 0 0.0 15 76
102 A 102 LEU L H H X TS+ 0 0 -69.7 -32.6 179.5 62.1 104.4 29.6 98 -2.5 106 -2.4 0 0.0 0 0.0 9 81
103 A 103 ALA A H H < TS+ 0 0 -59.2 -39.0 177.0 34.1 115.0 26.0 99 -2.0 0 0.0 0 0.0 0 0.0 12 83
104 A 104 ALA A H H < > TS+ 0 0 -78.5 -48.2 -172.5 51.7 116.9 21.5 100 -1.5 107 -2.0 0 0.0 0 0.0 13 76
105 A 105 ALA A H H < > TS+ 0 0 -60.8 -38.9 -176.9 56.0 104.6 28.0 101 -2.9 108 -1.7 0 0.0 0 0.0 13 80
106 A 106 LEU L T h < 3 TS+ 0 0 -76.2 2.0 173.9 77.1 89.3 63.9 102 -2.4 0 0.0 0 0.0 0 0.0 14 72
107 A 107 CYS C T T < TS+ 0 0 -83.2 -4.8 -179.6 108.2 71.5 61.9 104 -2.0 157 -2.7 0 0.0 0 0.0 16 62
108 A 108 LEU L S t < TS- 0 0 -78.4 129.7 -179.7 -23.2 88.8 127.7 105 -1.7 0 0.0 0 0.0 0 0.0 15 61
109 A 109 GLY G S e S- 0 0 73.2 -150.0 176.6 -30.5 113.7 116.4 0 0.0 156 -2.6 0 0.0 0 0.0 10 42
110 A 110 A SER S E E D H S+ 0 155 -100.3 156.1 176.2 145.0 73.2 135.3 0 0.0 0 0.0 0 0.0 0 0.0 9 38
111 A 111 ASN N E E D * - 0 0 -172.0 167.4 171.6 -149.9 37.9 160.5 154 -0.6 0 0.0 0 0.0 0 0.0 13 40
112 A 112 ASP D E E D * + 0 0 -151.3 91.2 -175.3 144.9 42.9 132.3 84 -2.0 88 -1.3 0 0.0 87 -1.0 13 40
113 A 113 ILE I E E DgH - 88 153 -134.6 142.3 176.6 -147.1 36.7 165.2 153 -2.1 153 -3.6 0 0.0 0 0.0 15 50
114 A 114 VAL V E E DgH - 89 152 -111.8 131.0 175.1 -159.6 9.3 161.3 88 -3.2 90 -3.0 0 0.0 0 0.0 12 52
115 A 115 LEU L E E DgH + 90 151 -107.4 127.8 178.3 148.2 26.8 160.4 151 -2.4 151 -1.9 0 0.0 0 0.0 15 67
116 A 116 THR T E E Dg + 91 0 -141.0 -173.4 178.9 168.0 12.9 139.2 90 -2.6 92 -2.7 0 0.0 0 0.0 14 53
117 A 117 GLY G - 0 0 -174.1 -159.5 -179.9 -24.4 43.5 156.7 0 0.0 0 0.0 0 0.0 0 0.0 14 49
118 A 118 GLU E g > > T - 0 0 -66.8 163.0 -179.7 -96.2 69.9 99.6 93 -2.4 122 -1.3 0 0.0 121 -0.9 10 37
119 A 119 PRO P G G 4 > TS+ 0 0 -50.2 -44.1 -179.9 54.0 124.3 28.1 0 0.0 122 -0.6 0 0.0 0 0.0 6 32
120 A 120 ARG R G G 4 > TS+ 0 0 -62.2 -32.5 179.8 59.1 101.9 30.5 0 0.0 123 -1.9 0 0.0 0 0.0 10 40
121 A 121 MET M G G 4 X TS+ 0 0 -65.8 -29.2 176.9 60.0 97.1 32.9 118 -0.9 124 -1.3 0 0.0 0 0.0 14 48
122 A 122 LYS K G G < < TS+ 0 0 -74.3 -1.0 177.9 49.4 106.6 59.6 118 -1.3 0 0.0 119 -0.6 0 0.0 13 41
123 A 123 GLU E G G < TS+ 0 0 -115.1 4.7 -179.6 94.8 90.2 72.9 120 -1.9 0 0.0 0 0.0 0 0.0 8 41
124 A 124 ARG R S g < TS- 0 0 -102.3 129.3 -176.1 -110.4 82.3 149.3 121 -1.3 0 0.0 0 0.0 0 0.0 10 51
125 A 125 PRO P + 0 0 -63.3 143.8 175.0 154.8 46.7 98.3 0 0.0 0 0.0 0 0.0 0 0.0 10 56
126 A 126 ILE I h > > T + 0 0 -143.3 5.7 -178.0 107.0 43.6 74.1 147 -3.0 130 -2.3 0 0.0 129 -0.8 11 59
127 A 127 GLY G H H > 3 TS+ 0 0 -59.4 -34.1 -179.1 58.8 75.2 34.0 147 -1.4 131 -3.0 0 0.0 0 0.0 9 53
128 A 128 HIS H H H > 3 TS+ 0 0 -64.3 -35.5 178.3 44.3 109.9 27.2 0 0.0 132 -1.6 0 0.0 0 0.0 11 52
129 A 129 LEU L H H > < TS+ 0 0 -72.0 -46.0 177.8 49.8 113.2 22.6 126 -0.8 133 -2.8 0 0.0 0 0.0 15 66
130 A 130 VAL V H H X TS+ 0 0 -58.9 -43.5 -179.9 53.3 108.9 23.9 126 -2.3 134 -2.6 0 0.0 0 0.0 10 62
131 A 131 ASP D H H X TS+ 0 0 -58.2 -45.8 -179.6 45.0 112.0 21.5 127 -3.0 135 -1.9 0 0.0 0 0.0 9 50
132 A 132 ALA A H H X TS+ 0 0 -64.6 -46.9 179.3 50.7 112.0 21.4 128 -1.6 136 -1.3 0 0.0 0 0.0 11 61
133 A 133 LEU L H H < >TS+ 0 0 -59.9 -39.6 177.8 51.3 109.8 26.2 129 -2.8 138 -2.3 0 0.0 0 0.0 14 65
134 A 134 ARG R H H < >5TS+ 0 0 -65.8 -38.8 177.3 57.5 103.3 26.7 130 -2.6 137 -2.0 0 0.0 0 0.0 11 50
135 A 135 LEU L H H < 35TS+ 0 0 -58.9 -28.5 178.4 50.7 107.6 34.1 131 -1.9 0 0.0 0 0.0 0 0.0 11 42
136 A 136 GLY G T h < 35TS- 0 0 -88.7 4.5 178.2 -89.6 133.3 67.9 132 -1.3 158 -2.5 0 0.0 159 -1.3 12 53
137 A 137 GLY G T T <5TS+ 0 0 112.0 -12.3 -177.4 144.7 75.1 76.7 134 -2.0 0 0.0 0 0.0 0 0.0 10 44
138 A 138 ALA A t TS- 0 0 -77.9 134.4 177.6 -108.4 81.7 120.8 0 0.0 148 -1.8 0 0.0 0 0.0 8 25
146 A 146 GLU E T T 3 TS+ 0 0 -57.4 136.7 179.0 22.0 103.9 111.5 0 0.0 0 0.0 0 0.0 0 0.0 7 24
147 A 147 ASN N T T 3 TS+ 0 0 82.6 5.5 -179.3 80.5 113.4 68.2 0 0.0 126 -3.0 0 0.0 127 -1.4 10 39
148 A 148 TYR Y S t < TS- 0 0 -137.4 157.9 176.2 -65.3 78.3 153.5 145 -1.8 0 0.0 0 0.0 0 0.0 15 44
149 A 149 PRO P S S S+ 0 0 -65.3 161.3 1.9 85.3 82.8 114.3 0 0.0 0 0.0 0 0.0 0 0.0 17 51
150 A 150 PRO P e + 0 0 -79.0 153.4 -178.4 179.3 64.2 64.7 0 0.0 143 -2.3 0 0.0 144 -0.6 12 50
151 A 151 LEU L E E DHI - 115 142 -121.3 143.6 170.9 -147.8 26.6 159.3 115 -1.9 115 -2.4 0 0.0 153 -0.6 13 58
152 A 152 ARG R E E DHI - 114 141 -108.4 119.7 -176.2 -158.2 21.9 164.8 141 -2.5 141 -2.3 0 0.0 154 -0.6 13 53
153 A 153 LEU L E E DHI + 113 140 -103.6 121.3 -179.9 171.6 21.2 150.9 113 -3.6 113 -2.1 151 -0.6 0 0.0 16 57
154 A 154 GLN Q E E D* - 0 0 -115.0 15.8 175.7 -125.6 41.3 77.8 139 -2.7 111 -0.6 152 -0.6 0 0.0 12 43
155 A 155 GLY G E E DH + 110 0 81.0 -168.5 178.5 132.3 58.2 102.2 0 0.0 139 -2.3 0 0.0 0 0.0 14 49
156 A 156 GLY G e + 0 0 100.2 1.9 179.9 148.4 22.6 59.7 109 -2.6 158 -0.8 0 0.0 0 0.0 11 45
157 A 157 PHE F + 0 0 -74.0 114.3 179.6 160.7 9.0 128.8 107 -2.7 0 0.0 0 0.0 0 0.0 14 57
158 A 158 THR T - 0 0 -108.0 -16.0 -178.4 -113.1 45.7 51.8 136 -2.5 185 -2.5 156 -0.8 0 0.0 12 45
159 A 159 GLY G + 0 0 118.0 -155.8 -179.9 131.5 54.9 149.5 136 -1.3 0 0.0 0 0.0 0 0.0 15 51
160 A 160 GLY G E E Ej S- 187 0 105.2 -161.5 179.5 -16.7 70.8 130.7 186 -2.5 188 -2.3 0 0.0 162 -0.7 10 39
161 A 161 ASN N E E Ej + 188 0 -89.2 119.2 -176.6 178.7 68.1 139.4 0 0.0 0 0.0 0 0.0 0 0.0 10 39
162 A 162 VAL V E E Ej - 189 0 -125.3 125.3 173.9 -158.6 16.3 167.6 188 -2.8 190 -2.9 160 -0.7 0 0.0 13 50
163 A 163 ASP D E E Ej - 190 0 -95.5 148.1 172.4 -172.4 14.2 140.5 0 0.0 0 0.0 0 0.0 0 0.0 10 46
164 A 164 VAL V E E Ej - 191 0 -141.5 139.2 177.5 -129.6 23.4 173.3 190 -2.6 192 -2.5 0 0.0 0 0.0 14 52
165 A 165 ASP D E E E* - 0 0 -82.3 127.2 179.5 -178.9 21.8 135.8 0 0.0 0 0.0 0 0.0 0 0.0 13 46
166 A 166 GLY G E E Ej + 195 0 -110.9 14.8 -175.3 96.3 56.3 73.6 194 -0.6 196 -2.6 0 0.0 0 0.0 14 49
167 A 167 SER S S S S+ 0 0 -82.1 -15.9 -178.3 30.3 90.8 50.5 0 0.0 0 0.0 0 0.0 0 0.0 9 44
168 A 168 VAL V S S S+ 0 0 -111.2 -41.6 176.3 7.8 128.7 41.9 0 0.0 0 0.0 0 0.0 0 0.0 8 49
169 A 169 SER S t > T - 0 0 -145.1 139.7 173.1 -153.7 44.1 168.9 0 0.0 172 -0.7 0 0.0 0 0.0 11 58
170 A 170 SER S T h > 3 TS+ 0 0 -76.5 -15.0 -176.3 80.8 90.7 49.7 0 0.0 174 -2.5 0 0.0 0 0.0 14 66
171 A 171 GLN Q H H > 3 TS+ 0 0 -66.2 -24.5 179.5 59.6 82.4 39.5 0 0.0 175 -2.6 0 0.0 0 0.0 11 64
172 A 172 PHE F H H > < TS+ 0 0 -68.6 -46.0 176.0 42.2 109.7 17.3 169 -0.7 176 -2.1 0 0.0 0 0.0 15 72
173 A 173 LEU L H H > TS+ 0 0 -63.4 -44.4 176.5 54.4 113.2 23.0 0 0.0 177 -2.8 0 0.0 0 0.0 12 75
174 A 174 THR T H H X TS+ 0 0 -53.3 -46.2 -178.6 49.5 108.1 21.3 170 -2.5 178 -2.3 0 0.0 0 0.0 12 72
175 A 175 ALA A H H X TS+ 0 0 -62.6 -41.7 177.5 47.3 112.1 25.3 171 -2.6 179 -1.6 0 0.0 0 0.0 15 77
176 A 176 LEU L H H X TS+ 0 0 -65.0 -41.7 -179.5 53.5 109.9 26.3 172 -2.1 180 -2.9 0 0.0 0 0.0 13 85
177 A 177 LEU L H H < TS+ 0 0 -61.5 -41.9 -179.6 46.1 110.3 24.1 173 -2.8 0 0.0 0 0.0 0 0.0 11 83
178 A 178 A MET M H H < TS+ 0 0 -70.6 -29.2 -178.4 42.2 119.0 32.2 174 -2.3 0 0.0 0 0.0 0 0.0 12 80
179 A 179 THR T H H < > TS+ 0 0 -83.2 -43.7 -173.4 69.3 98.5 25.7 175 -1.6 182 -1.8 0 0.0 0 0.0 12 82
180 A 180 ALA A G h < > TS+ 0 0 -53.3 -37.0 -179.5 65.5 86.5 37.8 176 -2.9 183 -2.0 0 0.0 0 0.0 13 74
181 A 181 PRO P G G 3 TS+ 0 0 -57.1 -27.0 -177.0 48.6 104.0 37.1 0 0.0 229 -2.8 0 0.0 0 0.0 14 61
182 A 182 LEU L G G < TS+ 0 0 -93.3 -0.2 178.9 103.5 88.4 64.7 179 -1.8 0 0.0 0 0.0 0 0.0 12 61
183 A 183 ALA A S g < TS- 0 0 -78.4 152.6 -179.4 -123.1 79.1 119.9 180 -2.0 228 -2.7 0 0.0 0 0.0 14 52
184 A 184 PRO P S S S+ 0 0 -68.6 -33.3 -179.9 50.9 91.4 33.5 0 0.0 0 0.0 0 0.0 0 0.0 8 36
185 A 185 A GLU E S S S- 0 0 -104.0 159.3 177.8 -96.5 96.1 132.7 158 -2.5 0 0.0 0 0.0 0 0.0 10 35
186 A 186 ASP D e - 0 0 -68.8 154.1 -177.7 -148.3 39.7 110.9 0 0.0 160 -2.5 0 0.0 0 0.0 14 39
187 A 187 THR T E E EjK - 160 225 -128.8 136.6 174.8 -161.2 12.8 167.8 225 -2.2 225 -3.0 0 0.0 189 -0.6 13 51
188 A 188 VAL V E E EjK - 161 224 -117.5 116.0 -179.7 -158.7 14.5 169.0 160 -2.3 162 -2.8 0 0.0 190 -0.6 12 48
189 A 189 ILE I E E EjK - 162 223 -99.1 116.0 -179.3 -166.3 6.8 150.4 223 -2.9 223 -2.5 187 -0.6 191 -0.5 12 59
190 A 190 ARG R E E EjK - 163 222 -105.4 126.2 179.0 -137.9 15.2 155.1 162 -2.9 164 -2.6 188 -0.6 0 0.0 11 45
191 A 191 ILE I E E Ej - 164 0 -81.1 130.1 -176.1 -146.9 11.6 132.4 221 -2.6 0 0.0 189 -0.5 0 0.0 13 45
192 A 192 LYS K E E E* - 0 0 -64.7 -44.4 -177.2 -46.8 63.3 24.1 164 -2.5 0 0.0 0 0.0 0 0.0 9 32
193 A 193 GLY G E E E* S+ 0 0 -153.4 -115.9 -178.2 21.1 106.5 101.1 0 0.0 0 0.0 0 0.0 0 0.0 7 28
194 A 194 ASP D E E E* - 0 0 -72.1 155.0 176.6 -149.3 55.7 106.3 0 0.0 166 -0.6 0 0.0 0 0.0 8 33
195 A 195 LEU L E E Ej - 166 0 -127.0 116.0 178.6 -163.6 12.8 165.0 0 0.0 0 0.0 0 0.0 0 0.0 12 43
196 A 196 VAL V e + 0 0 -92.5 163.9 176.6 23.3 69.4 119.2 166 -2.6 0 0.0 0 0.0 0 0.0 11 45
197 A 197 SER S S t > TS+ 0 0 51.9 42.3 -175.4 173.0 72.8 34.5 309 -0.7 200 -1.9 0 0.0 0 0.0 12 55
198 A 198 LYS K T h > > T + 0 0 -54.4 -38.3 -179.0 66.1 63.4 37.1 0 0.0 201 -1.8 0 0.0 202 -1.0 9 50
199 A 199 PRO P H H > 3 TS+ 0 0 -59.6 -24.7 177.9 64.2 91.9 37.0 0 0.0 203 -1.4 0 0.0 0 0.0 9 45
200 A 200 TYR Y H H > < TS+ 0 0 -69.1 -23.1 177.0 59.6 94.5 36.8 197 -1.9 204 -2.0 0 0.0 0 0.0 12 56
201 A 201 ILE I H H > < TS+ 0 0 -69.2 -35.8 177.2 53.6 102.6 27.4 198 -1.8 205 -2.5 0 0.0 0 0.0 11 58
202 A 202 ASP D H H X TS+ 0 0 -65.4 -35.5 178.0 52.8 105.7 28.7 198 -1.0 206 -2.3 0 0.0 0 0.0 9 48
203 A 203 ILE I H H X TS+ 0 0 -64.0 -44.8 179.1 49.4 109.7 19.1 199 -1.4 207 -2.5 0 0.0 0 0.0 12 58
204 A 204 THR T H H X TS+ 0 0 -58.1 -47.2 -178.4 46.5 112.1 21.2 200 -2.0 208 -2.6 0 0.0 0 0.0 12 62
205 A 205 LEU L H H X TS+ 0 0 -66.5 -35.2 177.4 53.1 111.2 29.6 201 -2.5 209 -2.4 0 0.0 0 0.0 10 53
206 A 206 A ASN N H H X TS+ 0 0 -62.5 -49.9 179.1 44.7 111.6 16.4 202 -2.3 210 -2.2 0 0.0 0 0.0 9 44
207 A 207 LEU L H H X TS+ 0 0 -62.5 -41.5 177.3 52.9 111.5 24.5 203 -2.5 211 -1.8 0 0.0 0 0.0 11 56
208 A 208 MET M H H < >TS+ 0 0 -59.0 -42.7 179.4 49.4 109.7 22.2 204 -2.6 213 -2.6 0 0.0 0 0.0 13 58
209 A 209 LYS K H H < >5TS+ 0 0 -64.2 -40.2 176.8 54.9 106.5 26.6 205 -2.4 212 -1.9 0 0.0 0 0.0 9 42
210 A 210 THR T H H < 35TS+ 0 0 -57.1 -36.4 179.8 49.6 109.2 27.9 206 -2.2 0 0.0 0 0.0 0 0.0 8 46
211 A 211 PHE F T h < 35TS- 0 0 -91.8 19.3 172.5 -94.4 130.9 81.2 207 -1.8 232 -2.6 0 0.0 0 0.0 13 53
212 A 212 GLY G T T <5TS+ 0 0 88.0 12.7 -177.7 111.3 86.1 57.4 209 -1.9 0 0.0 0 0.0 0 0.0 11 46
213 A 213 VAL V t EL > TS- 222 0 -95.9 87.7 179.3 -57.1 71.0 136.3 222 -3.2 221 -2.5 216 -0.7 222 -1.0 8 25
219 A 219 HIS H T T 4 3 TS- 0 0 46.8 35.6 179.1 -70.9 93.6 40.9 217 -1.2 0 0.0 0 0.0 0 0.0 5 25
220 A 220 TYR Y T T 4 3 TS+ 0 0 61.0 17.0 -179.4 95.2 124.8 51.4 0 0.0 0 0.0 0 0.0 0 0.0 7 40
221 A 221 GLN Q T e 4 < TS+ 0 0 -104.2 -27.9 -179.9 12.5 93.6 48.4 218 -2.5 191 -2.6 0 0.0 0 0.0 9 36
222 A 222 GLN Q E E T - 0 0 -84.0 117.6 -178.0 -166.3 33.2 128.6 19 -2.8 246 -1.4 0 0.0 0 0.0 13 71
243 A 243 ALA A H H > TS+ 0 0 -72.9 -23.8 178.2 54.0 90.2 41.7 241 -0.6 247 -0.7 0 0.0 0 0.0 12 70
244 A 244 SER S H H > > TS+ 0 0 -75.9 -43.4 174.7 48.8 108.7 21.4 0 0.0 247 -1.0 0 0.0 248 -0.5 10 72
245 A 245 SER S H H > > TS+ 0 0 -59.7 -32.3 179.2 59.4 106.9 33.7 0 0.0 248 -0.6 0 0.0 249 -0.5 12 79
246 A 246 ALA A H H X > TS+ 0 0 -65.8 -24.9 -170.6 78.3 86.3 38.9 242 -1.4 250 -2.2 0 0.0 249 -0.7 10 80
247 A 247 SER S H H X < TS+ 0 0 -59.4 -38.0 -178.7 54.8 87.6 33.7 244 -1.0 251 -2.6 243 -0.7 0 0.0 12 77
248 A 248 TYR Y H H X < TS+ 0 0 -62.0 -39.9 -176.1 44.5 111.1 28.1 245 -0.6 252 -2.0 244 -0.5 0 0.0 12 81
249 A 249 PHE F H H X < TS+ 0 0 -76.8 -38.5 176.0 47.3 114.0 26.9 246 -0.7 253 -1.6 245 -0.5 0 0.0 12 79
250 A 250 LEU L H H X TS+ 0 0 -66.2 -43.0 179.0 48.1 114.7 22.2 246 -2.2 254 -1.9 0 0.0 0 0.0 14 79
251 A 251 ALA A H H X TS+ 0 0 -64.3 -36.6 179.8 59.7 105.0 26.2 247 -2.6 255 -1.9 0 0.0 0 0.0 13 79
252 A 252 ALA A H H X TS+ 0 0 -59.6 -39.3 178.6 45.9 107.3 25.3 248 -2.0 256 -3.1 0 0.0 0 0.0 13 75
253 A 253 ALA A H H X TS+ 0 0 -69.7 -37.0 179.7 56.0 108.2 29.6 249 -1.6 257 -2.2 0 0.0 0 0.0 16 64
254 A 254 ALA A H H < TS+ 0 0 -63.1 -30.2 178.9 34.8 118.7 32.7 250 -1.9 0 0.0 0 0.0 0 0.0 17 64
255 A 255 ILE I H H < TS+ 0 0 -87.0 -42.2 -168.2 4.0 141.2 28.4 251 -1.9 0 0.0 0 0.0 0 0.0 12 63
256 A 256 LYS K H H < TS+ 0 0 -140.1 20.1 179.5 160.7 98.5 83.7 252 -3.1 12 -1.7 0 0.0 0 0.0 11 54
257 A 257 GLY G E E T - 0 0 -163.3 -166.1 -176.5 -53.6 60.4 150.4 0 0.0 269 -2.0 0 0.0 0 0.0 13 45
267 A 267 ARG R T T 3 TS+ 0 0 -61.0 -22.0 -179.0 52.5 128.0 43.0 290 -2.4 0 0.0 0 0.0 0 0.0 11 32
268 A 268 ASN N T T 3 TS+ 0 0 -94.1 1.6 -176.6 130.2 79.7 66.4 0 0.0 0 0.0 0 0.0 0 0.0 6 30
269 A 269 A SER S t < T - 0 0 -61.0 148.6 179.2 -143.7 54.6 99.5 266 -2.0 0 0.0 0 0.0 0 0.0 8 45
270 A 270 MET M + 0 0 -86.2 -10.1 -176.6 105.8 67.8 53.8 0 0.0 0 0.0 0 0.0 0 0.0 7 47
271 A 271 GLN Q g > T - 0 0 -79.2 132.4 179.5 -145.6 64.6 123.8 0 0.0 274 -1.6 0 0.0 0 0.0 9 58
272 A 272 GLY G G G > TS+ 0 0 -63.2 -25.7 -178.5 74.7 91.6 39.6 0 0.0 275 -2.1 0 0.0 0 0.0 10 47
273 A 273 ASP D G G > TS+ 0 0 -69.2 -8.4 171.8 79.4 72.2 52.3 0 0.0 276 -1.8 0 0.0 0 0.0 11 58
274 A 274 ILE I G G X TS+ 0 0 -62.7 -21.1 178.9 72.1 81.1 36.9 271 -1.6 277 -1.7 0 0.0 0 0.0 13 65
275 A 275 ARG R G h > < TS+ 0 0 -69.3 -8.4 173.8 81.8 74.2 52.7 272 -2.1 279 -1.0 0 0.0 0 0.0 8 54
276 A 276 PHE F H H > X TS+ 0 0 -58.8 -37.7 180.0 60.9 83.7 29.5 273 -1.8 280 -1.9 0 0.0 279 -0.6 11 64
277 A 277 ALA A H H > < TS+ 0 0 -59.2 -34.6 179.1 58.5 97.3 29.1 274 -1.7 281 -2.2 0 0.0 0 0.0 11 64
278 A 278 A ASP D H H > 3 TS+ 0 0 -62.3 -34.4 -180.0 51.6 104.0 33.6 0 0.0 282 -2.0 0 0.0 0 0.0 9 48
279 A 279 VAL V H H X < TS+ 0 0 -69.5 -43.8 178.5 50.5 107.8 23.3 275 -1.0 283 -1.7 276 -0.6 0 0.0 8 62
280 A 280 LEU L H H X >TS+ 0 0 -60.4 -39.1 -179.8 51.2 110.2 24.6 276 -1.9 285 -2.5 0 0.0 284 -0.7 13 63
281 A 281 GLU E H H < >5TS+ 0 0 -63.6 -41.9 179.5 52.2 107.5 21.8 277 -2.2 284 -1.2 0 0.0 0 0.0 10 44
282 A 282 LYS K H H < 35TS+ 0 0 -63.0 -29.4 178.2 54.1 107.6 35.5 278 -2.0 0 0.0 0 0.0 0 0.0 8 41
283 A 283 MET M H H < 35TS- 0 0 -80.3 -14.2 177.5 -89.5 132.1 53.4 279 -1.7 302 -2.7 0 0.0 0 0.0 11 46
284 A 284 GLY G T h < <5TS+ 0 0 122.2 1.6 178.3 126.6 83.5 62.2 281 -1.2 300 -1.8 280 -0.7 0 0.0 11 41
285 A 285 ALA A t T + 0 0 -109.5 19.6 -176.9 118.1 44.1 77.9 332 -2.8 311 -2.2 306 -0.6 0 0.0 11 49
309 A 309 ASN N T T 3 TS+ 0 0 -59.8 -25.7 179.4 57.7 73.8 41.8 0 0.0 197 -0.7 0 0.0 0 0.0 10 50
310 A 310 HIS H T T 3 TS+ 0 0 -79.7 -12.2 -178.9 28.6 118.9 54.3 0 0.0 0 0.0 0 0.0 0 0.0 11 49
311 A 311 ILE I S t > < TS+ 0 0 -144.3 58.4 -177.4 156.2 70.2 109.4 308 -2.2 315 -2.2 0 0.0 0 0.0 12 53
312 A 312 PRO P T T 4 TS+ 0 0 -58.6 -34.3 -177.0 44.1 74.9 37.9 0 0.0 0 0.0 0 0.0 0 0.0 11 62
313 A 313 ASP D T T 4 > TS+ 0 0 -78.5 -55.2 177.9 41.0 117.2 17.0 0 0.0 316 -1.4 0 0.0 0 0.0 8 72
314 A 314 ALA A T h > > TS+ 0 0 -63.0 -24.6 179.6 74.8 102.4 36.5 0 0.0 317 -1.4 0 0.0 318 -0.7 12 64
315 A 315 ALA A H H X > TS+ 0 0 -58.4 -29.4 178.7 65.8 83.5 34.4 311 -2.2 319 -1.2 0 0.0 318 -0.9 11 70
316 A 316 MET M H H > < TS+ 0 0 -59.7 -33.0 -179.6 60.7 93.8 31.0 313 -1.4 320 -1.1 0 0.0 0 0.0 10 78
317 A 317 THR T H H > < TS+ 0 0 -65.6 -32.1 177.0 54.6 99.3 33.8 314 -1.4 321 -2.3 0 0.0 0 0.0 12 72
318 A 318 ILE I H H X < TS+ 0 0 -68.8 -31.1 179.1 65.0 98.3 32.5 315 -0.9 322 -2.3 314 -0.7 0 0.0 9 80
319 A 319 ALA A H H < TS+ 0 0 -59.2 -40.6 175.4 33.6 111.3 26.7 315 -1.2 0 0.0 0 0.0 0 0.0 13 79
320 A 320 THR T H H < > TS+ 0 0 -83.4 -32.2 175.2 57.3 114.6 32.9 316 -1.1 323 -1.6 0 0.0 0 0.0 13 78
321 A 321 ALA A H H < > TS+ 0 0 -60.9 -31.3 179.3 70.3 94.6 31.9 317 -2.3 324 -2.3 0 0.0 0 0.0 11 77
322 A 322 ALA A G h < > TS+ 0 0 -55.8 -25.0 177.7 72.1 81.8 43.3 318 -2.3 325 -1.0 0 0.0 0 0.0 14 70
323 A 323 LEU L G G < TS+ 0 0 -60.8 -22.0 -176.2 41.2 103.7 39.8 320 -1.6 0 0.0 0 0.0 0 0.0 12 65
324 A 324 PHE F G G < TS+ 0 0 -106.1 -0.7 -176.2 98.4 98.6 68.0 321 -2.3 0 0.0 0 0.0 0 0.0 9 58
325 A 325 ALA A S g < TS- 0 0 -93.2 158.0 177.1 -108.8 78.2 121.0 322 -1.0 327 -0.7 0 0.0 0 0.0 11 51
326 A 326 LYS K B B c S- 302 0 -85.4 116.2 179.7 -0.4 83.4 141.4 301 -2.2 303 -2.7 0 0.0 0 0.0 9 36
327 A 327 GLY G S S S- 0 0 102.9 -177.7 -178.1 -40.1 101.9 116.6 325 -0.7 0 0.0 0 0.0 0 0.0 8 34
328 A 328 THR T - 0 0 -93.9 125.4 -179.9 -151.8 50.9 140.9 0 0.0 0 0.0 0 0.0 0 0.0 12 38
329 A 329 THR T E E F P - 0 368 -99.2 138.3 177.2 -167.9 8.6 142.7 368 -2.4 368 -3.1 0 0.0 0 0.0 12 48
330 A 330 THR T E E FoP - 305 367 -128.7 127.2 177.6 -166.3 5.2 174.0 304 -2.4 306 -2.3 0 0.0 332 -0.5 11 50
331 A 331 LEU L E E FoP - 306 366 -113.3 119.7 -174.5 -168.8 20.6 167.4 366 -2.5 366 -2.1 0 0.0 0 0.0 15 56
332 A 332 A ARG R E E FoP + 307 365 -113.0 160.9 174.2 27.7 50.5 137.9 306 -2.8 308 -2.8 330 -0.5 0 0.0 12 45
333 A 333 ASN N S e S+ 0 0 60.9 47.7 180.0 126.4 74.0 25.4 364 -0.6 0 0.0 0 0.0 0 0.0 9 40
334 A 334 ILE I g > T + 0 0 -126.1 37.8 178.8 138.6 13.8 98.8 364 -2.5 337 -2.0 0 0.0 0 0.0 12 52
335 A 335 TYR Y G G > T + 0 0 -49.5 -43.2 -173.0 65.2 64.9 28.7 0 0.0 338 -2.7 0 0.0 0 0.0 9 47
336 A 336 ASN N G G > TS+ 0 0 -70.8 -4.5 164.4 85.7 74.6 55.5 0 0.0 339 -1.4 0 0.0 0 0.0 9 52
337 A 337 TRP W G G X TS+ 0 0 -50.6 -30.0 -176.9 63.9 85.3 35.2 334 -2.0 344 -2.7 0 0.0 340 -0.9 11 56
338 A 338 ARG R G G < TS+ 0 0 -71.5 -16.8 -172.6 44.4 102.4 43.9 335 -2.7 0 0.0 0 0.0 0 0.0 10 46
339 A 339 VAL V G G < TS+ 0 0 -119.6 23.6 -179.3 83.9 97.9 84.6 336 -1.4 0 0.0 0 0.0 0 0.0 10 51
340 A 340 LYS K S g < TS- 0 0 -102.8 -141.3 -175.6 -35.2 107.2 79.3 337 -0.9 0 0.0 342 -0.9 0 0.0 9 60
341 A 341 GLU E S S S- 0 0 -55.9 -31.3 171.1 -16.1 131.6 37.4 0 0.0 0 0.0 0 0.0 0 0.0 11 52
342 A 342 THR T S S S- 0 0 -149.5 179.2 172.3 -74.1 95.1 150.4 0 0.0 344 -1.4 0 0.0 340 -0.9 12 44
343 A 343 ASP D h > T - 0 0 -79.3 101.9 -175.6 -170.1 55.7 138.2 0 0.0 347 -2.6 0 0.0 0 0.0 10 43
344 A 344 ARG R H H > TS+ 0 0 -72.1 -25.0 177.5 58.6 75.8 42.9 337 -2.7 348 -2.6 342 -1.4 0 0.0 11 58
345 A 345 LEU L H H > TS+ 0 0 -69.4 -43.4 177.4 40.3 113.2 18.7 0 0.0 349 -2.0 0 0.0 0 0.0 14 51
346 A 346 PHE F H H > TS+ 0 0 -65.6 -45.9 -176.0 45.4 119.8 19.1 0 0.0 350 -2.4 0 0.0 0 0.0 9 42
347 A 347 ALA A H H X TS+ 0 0 -66.9 -46.2 178.9 47.7 113.4 19.7 343 -2.6 351 -2.7 0 0.0 0 0.0 12 53
348 A 348 MET M H H X TS+ 0 0 -61.3 -43.4 179.1 47.0 114.2 21.8 344 -2.6 352 -2.5 0 0.0 0 0.0 10 71
349 A 349 ALA A H H X TS+ 0 0 -63.2 -43.2 -178.9 49.9 112.8 20.4 345 -2.0 353 -1.8 0 0.0 0 0.0 12 56
350 A 350 THR T H H X TS+ 0 0 -60.9 -46.9 -175.7 40.4 115.8 20.0 346 -2.4 354 -1.0 0 0.0 0 0.0 8 43
351 A 351 GLU E H H X TS+ 0 0 -77.3 -32.5 177.0 57.1 110.6 27.4 347 -2.7 355 -0.7 0 0.0 0 0.0 10 56
352 A 352 LEU L H H < >>TS+ 0 0 -62.1 -38.2 178.8 53.5 104.6 27.7 348 -2.5 357 -1.8 0 0.0 355 -0.9 12 61
353 A 353 ARG R H H < >5TS+ 0 0 -64.7 -29.6 -179.2 65.4 98.5 32.5 349 -1.8 356 -1.5 0 0.0 0 0.0 10 42
354 A 354 LYS K H H < 35TS+ 0 0 -64.2 -26.6 179.0 46.1 102.7 42.0 350 -1.0 0 0.0 0 0.0 0 0.0 10 44
355 A 355 VAL V T h < <5TS- 0 0 -98.3 5.1 174.6 -87.1 132.5 70.9 352 -0.9 375 -1.5 351 -0.7 0 0.0 10 46
356 A 356 GLY G T T <5TS+ 0 0 115.6 -6.5 -178.1 136.3 78.4 72.3 353 -1.5 0 0.0 0 0.0 0 0.0 11 41
357 A 357 ALA A t T - 0 0 -113.6 -3.4 168.0 -142.0 16.1 64.0 0 0.0 384 -2.4 0 0.0 0 0.0 14 50
382 A 382 TYR Y T T 3 T - 0 0 56.9 33.3 -176.7 -67.3 66.6 43.2 0 0.0 0 0.0 0 0.0 0 0.0 8 47
383 A 383 ASN N T T 3 TS+ 0 0 52.0 35.4 -176.9 133.3 105.8 33.3 0 0.0 385 -0.5 0 0.0 0 0.0 8 51
384 A 384 ASP D h > X T - 0 0 -125.3 102.8 176.2 -157.6 51.8 154.0 381 -2.4 387 -1.6 0 0.0 388 -1.5 12 58
385 A 385 HIS H H H > 3 TS+ 0 0 -40.0 -42.2 -175.5 54.7 94.8 35.1 383 -0.5 389 -2.3 0 0.0 0 0.0 15 58
386 A 386 ARG R H H > 3 TS+ 0 0 -76.4 -22.4 174.6 58.4 99.2 37.9 0 0.0 390 -3.0 0 0.0 0 0.0 8 72
387 A 387 MET M H H > < TS+ 0 0 -67.0 -41.7 178.2 45.3 110.5 19.7 384 -1.6 391 -2.2 0 0.0 0 0.0 12 68
388 A 388 ALA A H H X TS+ 0 0 -62.1 -46.1 -177.5 44.4 117.0 18.2 384 -1.5 392 -1.3 0 0.0 0 0.0 15 65
389 A 389 MET M H H X TS+ 0 0 -69.1 -41.4 178.3 49.2 113.4 23.3 385 -2.3 393 -0.5 0 0.0 0 0.0 11 69
390 A 390 CYS C H H < > TS+ 0 0 -63.5 -42.3 -175.9 47.5 112.5 21.7 386 -3.0 393 -1.2 0 0.0 0 0.0 12 73
391 A 391 PHE F H H < > TS+ 0 0 -78.5 -13.3 173.2 77.3 91.9 46.1 387 -2.2 394 -1.8 0 0.0 0 0.0 10 74
392 A 392 SER S H H < > TS+ 0 0 -57.3 -26.7 -176.9 69.1 84.3 34.6 388 -1.3 395 -1.6 0 0.0 0 0.0 10 79
393 A 393 LEU L G h < X TS+ 0 0 -68.1 -17.9 177.7 78.7 77.2 45.9 390 -1.2 396 -2.1 389 -0.5 0 0.0 11 74
394 A 394 VAL V G G < TS+ 0 0 -58.3 -29.5 -179.0 67.6 82.0 33.4 391 -1.8 0 0.0 0 0.0 0 0.0 12 69
395 A 395 ALA A G G < TS+ 0 0 -71.0 -3.7 176.6 83.9 75.4 59.7 392 -1.6 9 -2.9 0 0.0 397 -0.6 13 58
396 A 396 LEU L S g < TS+ 0 0 -87.4 42.1 -179.3 64.8 90.2 105.3 393 -2.1 0 0.0 0 0.0 0 0.0 13 58
397 A 397 SER S S S S- 0 0 -141.1 -166.3 177.8 -81.3 110.5 135.4 395 -0.6 0 0.0 0 0.0 0 0.0 10 49
398 A 398 ASP D S S S+ 0 0 -84.8 -2.4 -178.7 76.4 104.8 61.5 0 0.0 0 0.0 0 0.0 0 0.0 8 34
399 A 399 THR T S S S- 0 0 -114.7 141.1 176.5 -130.8 74.6 149.6 0 0.0 0 0.0 0 0.0 0 0.0 12 34
400 A 400 PRO P - 0 0 -72.1 170.2 175.2 -152.0 23.4 108.2 0 0.0 0 0.0 0 0.0 0 0.0 12 35
401 A 401 VAL V E E AA - 6 0 -142.4 145.0 177.3 -141.6 6.5 171.1 6 -1.6 6 -3.0 0 0.0 0 0.0 14 44
402 A 402 THR T E E AAr - 5 378 -110.8 128.3 -178.5 -159.0 14.5 161.8 377 -2.2 379 -3.5 0 0.0 404 -0.5 12 43
403 A 403 ILE I E E AAr - 4 379 -109.1 119.6 177.9 -140.0 11.6 159.5 4 -3.2 4 -2.0 0 0.0 0 0.0 16 49
404 A 404 LEU L E E AA S+ 3 0 -77.6 149.8 178.4 5.0 79.5 121.0 379 -2.6 0 0.0 402 -0.5 0 0.0 13 38
405 A 405 ASP D S e > TS+ 0 0 45.7 54.4 -179.8 179.7 71.7 25.1 2 -2.9 408 -2.3 0 0.0 0 0.0 12 36
406 A 406 PRO P G G > TS+ 0 0 -57.3 -24.2 179.1 72.9 70.3 41.7 0 0.0 409 -1.7 0 0.0 0 0.0 12 43
407 A 407 LYS K G G > TS+ 0 0 -69.0 -6.9 176.0 86.4 71.8 51.9 0 0.0 410 -2.2 0 0.0 0 0.0 7 40
408 A 408 CYS C G G X TS+ 0 0 -63.2 -16.6 178.4 77.3 70.9 43.5 405 -2.3 411 -1.6 0 0.0 0 0.0 11 45
409 A 409 THR T G G > X TS+ 0 0 -63.8 -17.1 -178.7 83.9 72.1 43.1 406 -1.7 413 -3.0 0 0.0 412 -1.6 15 55
410 A 410 ALA A G G 4 < T + 0 0 -62.6 -12.6 177.2 84.0 65.1 50.9 407 -2.2 48 -2.9 0 0.0 0 0.0 11 45
411 A 411 LYS K G G 4 < TS- 0 0 -55.6 -39.9 178.3 -11.3 125.3 23.7 408 -1.6 49 -1.9 0 0.0 0 0.0 11 57
412 A 412 THR T T g 4 < TS+ 0 0 -132.8 -8.5 -170.5 31.4 144.3 62.5 409 -1.6 0 0.0 0 0.0 0 0.0 13 62
413 A 413 PHE F t < > T + 0 0 -160.3 74.9 -179.1 173.6 50.6 118.8 409 -3.0 416 -1.9 0 0.0 0 0.0 12 58
414 A 414 PRO P T T 3 TS+ 0 0 -55.3 -36.4 -176.3 48.3 85.3 33.4 0 0.0 0 0.0 0 0.0 0 0.0 10 45
415 A 415 ASP D T h > 3 TS+ 0 0 -94.1 21.1 -176.3 121.5 74.6 77.6 0 0.0 419 -2.2 0 0.0 0 0.0 8 43
416 A 416 TYR Y H H > < TS+ 0 0 -50.8 -52.9 -175.1 45.6 72.7 29.3 413 -1.9 420 -2.5 0 0.0 0 0.0 9 56
417 A 417 PHE F H H > TS+ 0 0 -66.9 -34.0 176.3 50.7 111.7 30.1 0 0.0 421 -2.3 0 0.0 0 0.0 6 54
418 A 418 A GLU E H H > TS+ 0 0 -67.1 -36.3 179.2 49.2 112.1 25.2 0 0.0 422 -2.0 0 0.0 0 0.0 7 36
419 A 419 GLN Q H H X TS+ 0 0 -69.3 -40.3 176.6 49.3 110.4 24.7 415 -2.2 423 -1.0 0 0.0 0 0.0 9 48
420 A 420 LEU L H H X > TS+ 0 0 -62.5 -41.6 179.7 51.6 111.0 23.6 416 -2.5 424 -0.7 0 0.0 423 -0.6 9 59
421 A 421 ALA A H H < > TS+ 0 0 -62.9 -34.1 179.7 64.7 99.6 27.1 417 -2.3 424 -1.0 0 0.0 0 0.0 7 44
422 A 422 ARG R H H < 3 TS+ 0 0 -57.6 -36.5 179.9 35.6 110.4 32.7 418 -2.0 0 0.0 0 0.0 0 0.0 8 38
423 A 423 ILE I H H < < TS+ 0 0 -97.1 -1.3 178.9 107.2 94.1 63.6 419 -1.0 13 -1.9 420 -0.6 0 0.0 12 51
424 A 424 SER S E E 5555< 5-turns
3-turns >33< >33< >33< >33X33< 3-turns
bridge-2 c*cccc eee FFFF bridge-2
bridge-1 AAAA BB A b DDDD FFFF DDDD gggg bridge-1
sheets AAAA BBBBBBB CCCCC CCCC CCCC DDDD sheets
4-turns >>>>XXXXXXX<<<< >>>>XXXXXX<<<< >>4>XX 4-turns
summary eEEEE EEEEEEEe BhHHHHHHHHHHHHHhBeEEEEES hHHHHHHHHHHHHhTtEEEEeTTt eEEEEe SS tTTEEEEeTThHHHHH summary
sequence MESLTLQPIARVDGTINLPGSKSVSNRALLLAALAHGKTVLTNLLDSDDVRHMLNALTALGVSYTLSADRTRCEIIGNGGPLHAEGALELFLGNAGTAMR sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHTTSSEEEEEEE GGGGGS HHHHHHHHHTT EEESSSTTSS EEEEE EEEEEEESS THHHHHHHHHGGGSSS EEEEEEEEE STHH Kabs/Sand
chirality +++++++--+-+--++--+++++-+++++++++++-+-+---++-++-++--+-+++-+-+----+++-+++++++++++++-+--------+--+++++ chirality
bends SSSSSSSSSS SSSSSS SSSSSSSSSSS SSSSSSS S SS SSSSSSSSSSSSSSSS S S SS bends
turns TTTTTTTT TTTTTTT TTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >>3<< >>>X<<< >33< >33< >33< >33< >>3<< >>3< 3-turns
bridge-2 H**HHH III KKKK bridge-2
bridge-1 gggg III HHH*H jjjjj*j jjjjj***j bridge-1
sheets DDDDDDD DDD DDDDD EEEEEEE EEEEEEEEE sheets
4-turns >X<<<< >444< >>>>XXX<<<< >>>>XXX<<<< >>> 4-turns
summary HHHHHhTteEEEEEEE gGGGGGg hHHHHHHHHHhTteEEEeStTTtSeEEEEEe EEEEEEESSthHHHHHHHHHhGGgSSeEEEEEEEEEethHH summary
sequence PLAAALCLGSNDIVLTGEPRMKERPIGHLVDALRLGGAKITYLEQENYPPLRLQGGFTGGNVDVDGSVSSQFLTALLMTAPLAPEDTVIRIKGDLVSKPY sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHHTT EEETTTEEEE SS B SEEE B HHHHHHHHHHHHHHEEEEEEES TT GGGGHHHHHHHHT EEEE SSEEEEE Kabs/Sand
chirality ++++++++++-++------++-----++------+-------+++++++++++++++-----+++-++-+-+++++++++++-+----+-++-----+-- chirality
bends SSSSSSSSSSSS SSSS SS SS SSSSSSSSSSSSSS S S SS SSSSSSSSSSSSS SS bends
turns TTTTTTTTTTTTT TTTTT TTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns < >33< >33< >>><<< >33< >>>X33< 3-turns
bridge-2 LLL MMMMM NNNN bridge-2
bridge-1 LLL KKKK b eee A c**cccc NNNN MMMMM bridge-1
sheets EEE EEEE CCC BBBBBBB BBBB BBBBB sheets
4-turns >XXXXXX<<<< >444< >>>>XXXXXXXX<<<< >>>>XX<<<< 4-turns
summary HHHHHHHHHHhTt EEETTeEEEE SS B eEEEe BhHHHHHHHHHHHHHHEEEEEEEe tTTt gGGGhHHHHHHHHhtEEEEeSeEEEEEe summary
sequence IDITLNLMKTFGVEIENQHYQQFVVKGGQSYQSPGTYLVEGDASSASYFLAAAAIKGGTVKVTGIGRNSMQGDIRFADVLEKMGATICWGDDYISCTRGE sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand B EEE TTSTTTHHHHHHHGGGSBS EEEES GGGGGSSS HHHHHHHHHHHTT EEEE SSEEEEE SS EE TT HHHHHHHHGGGSSSS Kabs/Sand
chirality +---+--+++++++++++++++++-------++++++++----+++++++++++-+------++-------+---+------+-++++++++++++-+-- chirality
bends SSSSSSSSSSSSSSSSSSS S SSSSSSS SSSSSSSSSSSSS SS SS S SSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTT TTTTTTT TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >>><<< >>><<< >>>X<<< >>3<< >33X33< >>>X<<< 3-turns
bridge-2 PPPP QQQQ bridge-2
bridge-1 c ooo c ooo QQQQ PPPP rr bridge-1
sheets FFF FFFF FFFF FFFFF AA sheets
4-turns >44>X>>X<<<< >>>>XXXXX<<<< >>>>XX<<<< 4-turns
summary B eEEEeTTtTThHHHHHHHhGGgBS EEEEegGGGGGgSShHHHHHHHHHHHhTtEEEEeSeEEEEE SS eEE tTThHHHHHHHHhGGgSSS summary
sequence LNAIDMDMNHIPDAAMTIATAALFAKGTTTLRNIYNWRVKETDRLFAMATELRKVGAEVEEGHDYIRITPPEKLNFAEIATYNDHRMAMCFSLVALSDTP sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand EEEESGGGGGGT TTHHHHHHHHEE Kabs/Sand
chirality ---+++++++-++++++++++++-- chirality
bends SSSSSS SS SSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >>>XX<<<>33< >>3<< 3-turns
bridge-2 rr bridge-2
bridge-1 AAAA BB bridge-1
sheets AAAA BB sheets
4-turns >444< >>>>XX<<<< 4-turns
summary EEEEeGGGGGGgtThHHHHHHHHEE summary
sequence VTILDPKCTAKTFPDYFEQLARISQAA sequence
410 420