Secondary structure calculation program - copyright by David Keith Smith, 1989
1ihp-.pdb
1IHP PHOSPHOMONOESTERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 434
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 7 SER S 0 0 999.9 -14.7 176.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 19
2 8 CYS C e + 0 0 -113.0 -3.5 173.1 67.7 999.9 62.5 0 0.0 10 -3.5 0 0.0 4 -0.6 7 30
3 9 ASP D E E AA S+ 9 0 -111.3 101.8 -178.3 173.0 74.8 158.8 0 0.0 0 0.0 0 0.0 0 0.0 9 42
4 10 THR T E E >AA T - 8 0 -109.2 168.7 178.6 -115.1 45.5 128.4 8 -2.1 8 -1.2 2 -0.6 0 0.0 10 35
5 11 VAL V T T 4 TS+ 0 0 -65.4 -45.3 -179.3 30.9 115.2 22.6 0 0.0 0 0.0 0 0.0 0 0.0 9 45
6 12 ASP D T T 4 TS+ 0 0 -81.7 -47.4 -177.7 35.0 128.0 23.1 0 0.0 0 0.0 0 0.0 0 0.0 6 40
7 13 GLN Q T T 4 TS- 0 0 -84.9 -18.4 -178.9 -150.4 91.0 45.4 0 0.0 27 -2.8 0 0.0 0 0.0 9 44
8 14 GLY G E E T + 0 0 -109.9 8.4 179.1 116.3 34.5 75.3 2 -3.5 13 -0.8 8 -0.8 0 0.0 10 37
11 17 CYS C T T 3 TS- 0 0 -79.7 141.4 178.8 -4.0 91.0 126.5 0 0.0 0 0.0 0 0.0 0 0.0 7 35
12 18 PHE F T h > > TS+ 0 0 47.2 34.9 -176.8 172.3 81.2 38.6 0 0.0 15 -2.9 0 0.0 16 -2.7 8 38
13 19 SER S H H > < T + 0 0 -44.0 -36.8 -179.1 63.1 67.9 43.1 10 -0.8 17 -1.1 0 0.0 0 0.0 8 40
14 20 GLU E H H 4 3 TS+ 0 0 -67.1 -17.1 178.0 17.2 124.5 46.8 0 0.0 0 0.0 0 0.0 0 0.0 6 32
15 21 THR T H H 4 X TS+ 0 0 -117.0 -52.7 -177.6 55.6 121.7 45.0 12 -2.9 18 -2.2 0 0.0 0 0.0 9 48
16 22 SER S H H < > TS+ 0 0 -56.7 -31.7 179.9 57.7 103.8 37.6 12 -2.7 19 -0.9 0 0.0 0 0.0 11 58
17 23 HIS H T h < 3 TS+ 0 0 -78.4 -3.9 179.5 63.1 98.0 59.7 13 -1.1 0 0.0 0 0.0 0 0.0 12 60
18 24 LEU L T G < TS+ 0 0 -107.1 22.8 -179.8 96.3 73.0 86.7 15 -2.2 0 0.0 0 0.0 0 0.0 12 59
19 25 TRP W S g X TS- 0 0 -95.3 10.9 -179.4 -149.0 73.0 74.8 16 -0.9 22 -2.3 0 0.0 0 0.0 14 64
20 26 GLY G G G > TS- 0 0 58.5 -129.2 179.3 -6.1 77.2 110.9 0 0.0 23 -1.4 0 0.0 0 0.0 17 58
21 27 GLN Q G G 3 TS+ 0 0 -78.1 2.8 177.3 63.8 134.5 65.2 0 0.0 0 0.0 0 0.0 0 0.0 12 65
22 28 TYR Y G G < TS+ 0 0 -104.1 7.7 178.3 105.4 82.1 75.5 19 -2.3 0 0.0 0 0.0 0 0.0 12 67
23 29 ALA A S g < TS- 0 0 -87.0 140.3 178.7 -117.8 77.7 132.2 20 -1.4 370 -3.0 0 0.0 0 0.0 13 68
24 30 PRO P B B b - 370 0 -74.4 149.6 179.0 -83.3 46.9 120.1 0 0.0 0 0.0 0 0.0 0 0.0 13 69
25 31 PHE F - 0 0 -54.5 135.6 174.8 -179.8 51.1 104.3 370 -0.9 9 -3.4 0 0.0 0 0.0 12 65
26 32 PHE F B B A - 8 0 -136.5 136.6 -178.3 -105.5 33.3 174.6 0 0.0 0 0.0 0 0.0 0 0.0 10 61
27 33 SER S - 0 0 -68.1 131.0 178.0 -166.0 20.6 115.7 7 -2.8 0 0.0 0 0.0 0 0.0 12 55
28 34 LEU L g > > T + 0 0 -97.8 15.8 -179.7 114.9 57.1 78.9 394 -2.6 31 -1.7 0 0.0 32 -0.7 10 50
29 35 ALA A G G 4 > TS+ 0 0 -52.2 -41.9 -179.7 50.6 76.0 30.6 0 0.0 32 -0.8 0 0.0 0 0.0 11 38
30 36 ASN N G G 4 3 TS+ 0 0 -74.2 -13.1 179.6 54.2 107.3 52.9 0 0.0 0 0.0 0 0.0 0 0.0 6 26
31 37 GLU E G G 4 < TS+ 0 0 -96.4 -7.2 -179.1 106.6 84.9 60.0 28 -1.7 0 0.0 0 0.0 0 0.0 6 32
32 38 SER S g < < T - 0 0 -78.1 129.2 178.7 -158.4 57.1 126.4 29 -0.8 0 0.0 28 -0.7 0 0.0 11 34
33 39 VAL V S S S+ 0 0 -71.2 -38.6 178.6 57.7 85.2 30.4 0 0.0 0 0.0 0 0.0 0 0.0 5 30
34 40 ILE I S S S- 0 0 -94.9 135.7 -179.7 -104.5 103.5 142.2 0 0.0 397 -0.5 0 0.0 0 0.0 9 29
35 41 SER S - 0 0 -63.2 127.6 -179.7 -144.0 20.3 113.9 0 0.0 0 0.0 0 0.0 0 0.0 8 30
36 42 PRO P + 0 0 -64.2 -21.0 -178.7 108.0 67.0 47.2 0 0.0 0 0.0 0 0.0 0 0.0 10 44
37 43 GLU E S S S- 0 0 -65.1 145.0 178.4 -103.3 83.2 105.9 0 0.0 0 0.0 0 0.0 0 0.0 4 46
38 44 VAL V - 0 0 -66.4 125.0 -179.4 -104.1 51.7 121.6 0 0.0 0 0.0 0 0.0 0 0.0 7 45
39 45 PRO P t > T - 0 0 -55.8 143.3 178.7 -103.7 32.3 99.7 0 0.0 42 -1.7 0 0.0 0 0.0 5 34
40 46 ALA A T T 3 TS+ 0 0 -65.4 133.6 -179.8 30.1 111.7 118.9 0 0.0 0 0.0 0 0.0 0 0.0 4 21
41 47 GLY G T e 3 TS+ 0 0 92.1 4.2 178.1 103.2 101.3 58.9 0 0.0 382 -1.7 0 0.0 0 0.0 6 20
42 48 CYS C E E BB < T - 381 0 -118.9 156.2 -179.5 -156.8 53.1 150.0 39 -1.7 0 0.0 0 0.0 0 0.0 10 36
43 49 ARG R E E BB - 380 0 -134.9 125.6 179.9 -124.4 20.8 175.1 380 -1.9 380 -2.1 0 0.0 0 0.0 8 33
44 50 VAL V E E BB + 379 0 -71.2 131.9 -179.9 173.1 29.4 121.4 0 0.0 0 0.0 0 0.0 0 0.0 13 50
45 51 THR T E E B* + 0 0 -117.5 -4.9 -179.6 22.4 66.7 64.5 378 -2.9 0 0.0 0 0.0 0 0.0 10 48
46 52 PHE F E E BB + 378 0 -160.3 140.9 177.1 179.7 60.2 163.0 378 -1.3 378 -2.2 0 0.0 0 0.0 11 56
47 53 ALA A E E BBc + 377 322 -150.6 130.5 176.0 178.6 0.8 163.2 321 -2.1 323 -1.7 0 0.0 0 0.0 13 61
48 54 GLN Q E E BBc - 376 323 -130.9 136.5 177.0 -162.3 8.9 176.4 376 -2.1 376 -2.3 0 0.0 0 0.0 10 70
49 55 VAL V E E BBc - 375 324 -118.6 137.6 176.6 -165.9 3.6 163.6 323 -2.2 325 -2.2 0 0.0 51 -0.5 11 71
50 56 LEU L E E BBc - 374 325 -119.8 116.3 -177.0 -176.4 22.6 172.8 374 -2.3 374 -2.2 0 0.0 0 0.0 12 71
51 57 SER S E E BBc - 373 326 -121.6 148.8 176.2 -137.9 23.2 153.0 325 -3.0 327 -2.4 49 -0.5 0 0.0 12 79
52 58 ARG R E E B c - 0 327 -92.6 160.5 177.4 -92.5 41.8 127.0 372 -2.0 0 0.0 0 0.0 0 0.0 15 72
53 59 HIS H e - 0 0 -65.9 166.2 -179.9 -98.7 49.1 100.9 327 -1.4 371 -2.7 0 0.0 0 0.0 17 68
54 60 GLY G - 0 0 -79.4 -174.7 179.2 -50.5 59.4 94.6 0 0.0 0 0.0 0 0.0 0 0.0 16 71
55 61 ALA A - 0 0 -57.5 135.5 -178.7 -172.9 64.9 107.2 0 0.0 100 -2.8 0 0.0 0 0.0 15 69
56 62 ARG R B B C - 99 0 -128.7 170.3 176.9 -100.2 27.4 140.8 0 0.0 0 0.0 0 0.0 0 0.0 11 59
57 63 TYR Y - 0 0 -78.7 170.0 179.3 -75.8 62.9 109.1 98 -2.2 0 0.0 0 0.0 0 0.0 13 49
58 64 PRO P - 0 0 -63.8 160.8 177.4 -94.3 59.6 106.4 0 0.0 97 -2.7 0 0.0 0 0.0 12 48
59 65 THR T h > T - 0 0 -71.0 149.9 -179.8 -109.2 39.2 120.5 0 0.0 63 -2.6 0 0.0 0 0.0 8 36
60 66 ASP D H H > TS+ 0 0 -46.6 -45.7 179.0 56.1 118.8 28.7 0 0.0 64 -1.6 0 0.0 0 0.0 8 25
61 67 SER S H H > > TS+ 0 0 -52.6 -57.4 -179.3 39.3 112.8 16.5 0 0.0 65 -1.3 0 0.0 64 -0.5 7 20
62 68 LYS K H H > 3 TS+ 0 0 -64.1 -35.0 179.0 63.2 107.7 34.7 0 0.0 66 -2.8 0 0.0 0 0.0 8 34
63 69 GLY G H H X 3 TS+ 0 0 -57.4 -38.5 178.7 54.2 100.5 29.8 59 -2.6 67 -2.8 0 0.0 0 0.0 11 35
64 70 LYS K H H X < TS+ 0 0 -57.8 -55.9 -179.4 44.7 110.9 16.0 60 -1.6 68 -3.1 61 -0.5 0 0.0 8 28
65 71 LYS K H H X TS+ 0 0 -57.6 -44.1 179.1 50.1 113.4 27.3 61 -1.3 69 -2.6 0 0.0 0 0.0 8 34
66 72 TYR Y H H X TS+ 0 0 -59.8 -50.9 179.7 45.2 114.1 18.3 62 -2.8 70 -1.9 0 0.0 0 0.0 11 43
67 73 SER S H H X TS+ 0 0 -57.9 -51.0 -180.0 48.5 113.8 21.1 63 -2.8 71 -2.2 0 0.0 0 0.0 9 40
68 74 ALA A H H X TS+ 0 0 -56.7 -49.7 -179.8 51.8 110.0 21.3 64 -3.1 72 -2.7 0 0.0 0 0.0 8 33
69 75 LEU L H H X TS+ 0 0 -56.9 -39.7 -179.8 49.7 110.1 29.9 65 -2.6 73 -2.1 0 0.0 0 0.0 9 43
70 76 ILE I H H X TS+ 0 0 -69.7 -40.3 179.1 47.1 111.0 26.5 66 -1.9 74 -2.2 0 0.0 0 0.0 9 48
71 77 GLU E H H X TS+ 0 0 -66.1 -40.0 179.7 53.5 111.5 24.1 67 -2.2 75 -1.3 0 0.0 0 0.0 8 33
72 78 GLU E H H X TS+ 0 0 -61.0 -43.1 177.8 47.1 109.1 26.8 68 -2.7 76 -2.5 0 0.0 0 0.0 8 35
73 79 ILE I H H X TS+ 0 0 -64.6 -40.6 179.9 55.7 109.2 24.5 69 -2.1 77 -2.0 0 0.0 0 0.0 9 43
74 80 GLN Q H H < TS+ 0 0 -63.2 -24.7 179.6 40.2 114.3 41.4 70 -2.2 0 0.0 0 0.0 0 0.0 10 34
75 81 GLN Q H H < TS+ 0 0 -90.1 -48.1 -178.0 41.3 118.3 26.4 71 -1.3 0 0.0 0 0.0 0 0.0 6 27
76 82 ASN N H H < TS+ 0 0 -72.9 -32.2 -178.4 92.6 91.9 37.6 72 -2.5 0 0.0 0 0.0 0 0.0 9 26
77 83 ALA A h < T - 0 0 -72.3 133.1 179.6 -170.2 49.3 118.0 73 -2.0 0 0.0 0 0.0 0 0.0 11 32
78 84 THR T S S S+ 0 0 -88.7 -33.6 -179.5 39.9 73.0 38.5 219 -2.5 0 0.0 0 0.0 0 0.0 7 26
79 85 THR T + 0 0 -127.9 135.4 179.5 178.8 49.4 165.6 0 0.0 0 0.0 0 0.0 0 0.0 7 27
80 86 PHE F + 0 0 -126.4 70.7 -179.7 152.1 31.2 128.7 0 0.0 0 0.0 0 0.0 0 0.0 11 32
81 87 ASP D g > T - 0 0 -108.1 156.5 -179.7 -8.7 49.4 137.2 0 0.0 84 -1.1 0 0.0 0 0.0 6 26
82 88 GLY G G G > TS+ 0 0 69.7 -136.3 -179.7 2.0 133.7 117.1 0 0.0 85 -2.2 0 0.0 0 0.0 5 24
83 89 LYS K G G 3 TS+ 0 0 -63.0 -3.7 179.2 62.0 131.0 61.0 0 0.0 0 0.0 0 0.0 0 0.0 8 28
84 90 TYR Y G G > X TS+ 0 0 -100.7 -2.1 -178.5 96.5 74.1 64.1 81 -1.1 87 -0.9 0 0.0 88 -0.5 9 36
85 91 ALA A G G 4 X TS+ 0 0 -55.7 -42.1 -179.5 60.7 74.9 30.1 82 -2.2 88 -1.4 0 0.0 0 0.0 8 28
86 92 PHE F G G 4 > TS+ 0 0 -56.0 -34.6 -179.2 66.7 94.1 33.4 0 0.0 89 -1.1 0 0.0 0 0.0 9 33
87 93 LEU L G G 4 X TS+ 0 0 -58.8 -29.9 -179.2 71.3 84.0 40.7 84 -0.9 90 -0.6 0 0.0 0 0.0 8 43
88 94 LYS K G G < < TS+ 0 0 -57.9 -36.6 -179.1 16.7 118.5 29.8 85 -1.4 0 0.0 84 -0.5 0 0.0 8 31
89 95 THR T G G < TS+ 0 0 -125.9 22.4 178.9 140.7 84.8 82.3 86 -1.1 0 0.0 0 0.0 0 0.0 6 27
90 96 TYR Y g < T - 0 0 -67.2 133.4 -179.6 -154.5 36.8 118.0 87 -0.6 92 -0.6 0 0.0 0 0.0 6 33
91 97 ASN N - 0 0 -116.3 110.4 -179.0 -135.9 11.3 159.3 0 0.0 93 -0.6 0 0.0 0 0.0 4 29
92 98 TYR Y + 0 0 -66.7 109.9 -179.0 151.1 41.7 120.0 90 -0.6 0 0.0 0 0.0 0 0.0 6 40
93 99 SER S + 0 0 -131.4 26.2 178.9 135.0 17.4 85.7 91 -0.6 0 0.0 0 0.0 0 0.0 4 34
94 100 LEU L - 0 0 -74.1 148.3 177.1 -131.2 49.1 118.4 0 0.0 0 0.0 0 0.0 0 0.0 9 39
95 101 GLY G - 0 0 -77.3 -155.9 179.3 -112.7 26.9 80.4 0 0.0 0 0.0 0 0.0 0 0.0 7 34
96 102 ALA A - 0 0 -149.1 148.7 177.7 -17.1 66.0 177.7 0 0.0 98 -3.2 0 0.0 0 0.0 10 33
97 103 ASP D S S S+ 0 0 55.9 -35.6 -176.7 112.6 95.4 91.2 58 -2.7 0 0.0 0 0.0 0 0.0 10 37
98 104 ASP D S S S- 0 0 -71.0 160.7 176.1 -98.3 77.7 99.3 96 -3.2 57 -2.2 0 0.0 0 0.0 9 44
99 105 LEU L B B C - 56 0 -69.2 138.9 178.2 -129.3 45.2 121.8 0 0.0 0 0.0 0 0.0 0 0.0 14 45
100 106 THR T h > T - 0 0 -89.5 163.9 179.3 -105.5 22.3 120.8 55 -2.8 104 -2.2 0 0.0 0 0.0 11 44
101 107 PRO P H H > TS+ 0 0 -54.6 -39.0 177.5 50.9 125.9 26.3 0 0.0 105 -2.0 0 0.0 0 0.0 8 39
102 108 PHE F H H > TS+ 0 0 -62.5 -42.5 178.7 52.3 108.3 25.5 0 0.0 106 -2.2 0 0.0 0 0.0 11 52
103 109 GLY G H H > TS+ 0 0 -62.6 -36.6 177.3 52.7 106.6 32.6 0 0.0 107 -1.5 0 0.0 0 0.0 15 62
104 110 GLU E H H X TS+ 0 0 -63.7 -45.1 179.2 50.0 109.0 22.6 100 -2.2 108 -1.9 0 0.0 0 0.0 14 50
105 111 GLN Q H H X TS+ 0 0 -60.9 -40.2 179.0 59.0 104.6 28.1 101 -2.0 109 -2.6 0 0.0 0 0.0 9 51
106 112 GLU E H H X TS+ 0 0 -56.3 -42.9 -179.3 44.5 108.3 27.0 102 -2.2 110 -1.8 0 0.0 0 0.0 12 61
107 113 LEU L H H X TS+ 0 0 -72.6 -36.3 176.7 54.4 109.6 30.8 103 -1.5 111 -2.3 0 0.0 0 0.0 16 65
108 114 VAL V H H X TS+ 0 0 -59.4 -48.9 179.2 47.9 110.8 16.8 104 -1.9 112 -2.0 0 0.0 0 0.0 14 55
109 115 ASN N H H X TS+ 0 0 -58.4 -40.3 178.6 53.0 109.2 28.8 105 -2.6 113 -2.2 0 0.0 0 0.0 12 55
110 116 SER S H H X TS+ 0 0 -63.3 -39.1 178.7 51.8 107.7 28.7 106 -1.8 114 -2.2 0 0.0 0 0.0 13 64
111 117 GLY G H H X TS+ 0 0 -64.4 -41.3 178.4 49.6 109.4 25.9 107 -2.3 115 -2.0 0 0.0 0 0.0 15 67
112 118 ILE I H H X TS+ 0 0 -61.1 -46.7 -178.9 47.8 112.3 24.6 108 -2.0 116 -2.3 0 0.0 0 0.0 15 47
113 119 LYS K H H X TS+ 0 0 -65.5 -40.1 178.6 51.1 109.8 30.1 109 -2.2 117 -2.5 0 0.0 0 0.0 11 58
114 120 PHE F H H X TS+ 0 0 -64.6 -43.4 178.9 49.1 111.4 24.6 110 -2.2 118 -1.5 0 0.0 0 0.0 9 69
115 121 TYR Y H H < TS+ 0 0 -60.2 -50.3 -178.6 44.4 114.4 19.6 111 -2.0 0 0.0 0 0.0 0 0.0 13 55
116 122 GLN Q H H < > TS+ 0 0 -64.1 -42.0 -179.5 55.1 109.1 28.3 112 -2.3 119 -1.2 0 0.0 0 0.0 9 45
117 123 ARG R H H < 3 TS+ 0 0 -61.4 -37.2 -178.5 30.8 120.4 29.8 113 -2.5 0 0.0 0 0.0 0 0.0 6 54
118 124 TYR Y T h X > TS+ 0 0 -113.9 34.0 -178.6 143.3 76.2 94.3 114 -1.5 121 -2.5 0 0.0 122 -2.4 10 51
119 125 GLU E H H > < T + 0 0 -42.2 -42.8 -178.5 62.9 65.6 38.3 116 -1.2 123 -1.9 0 0.0 0 0.0 8 42
120 126 SER S H H 4 3 TS+ 0 0 -59.1 -26.1 179.0 27.3 119.0 38.9 0 0.0 0 0.0 0 0.0 0 0.0 6 39
121 127 LEU L H H > X TS+ 0 0 -98.8 -49.0 -178.1 55.6 117.5 34.1 118 -2.5 124 -1.5 0 0.0 125 -0.6 11 46
122 128 THR T H H < 3 TS+ 0 0 -60.8 -24.5 179.9 75.3 91.6 44.7 118 -2.4 0 0.0 0 0.0 0 0.0 13 53
123 129 ARG R T h < 3 TS+ 0 0 -64.1 -24.7 177.2 10.3 117.6 41.2 119 -1.9 159 -2.3 0 0.0 0 0.0 12 43
124 130 ASN N T T 4 < TS+ 0 0 -142.0 22.2 176.6 80.7 111.7 76.1 121 -1.5 0 0.0 0 0.0 0 0.0 8 40
125 131 ILE I t < T - 0 0 -128.4 136.4 178.8 -142.3 63.7 172.0 121 -0.6 0 0.0 0 0.0 0 0.0 9 45
126 132 VAL V - 0 0 -97.7 121.9 -179.7 -124.8 28.1 151.9 0 0.0 0 0.0 0 0.0 0 0.0 10 49
127 133 PRO P - 0 0 -64.8 150.3 176.6 -125.2 14.4 106.8 0 0.0 129 -0.6 0 0.0 0 0.0 11 62
128 134 PHE F E E Bd - 323 0 -98.2 123.5 -174.7 -160.0 36.0 154.6 322 -2.2 324 -2.0 0 0.0 0 0.0 13 53
129 135 ILE I E E Bde + 324 167 -117.1 138.9 178.3 179.8 18.7 151.1 127 -0.6 169 -1.4 166 -0.6 168 -1.2 12 61
130 136 ARG R E E Bde - 325 169 -131.4 149.3 -179.9 -171.6 5.5 163.8 324 -2.2 326 -1.7 0 0.0 0 0.0 12 61
131 137 SER S E E Bde - 326 170 -141.3 145.8 176.9 -114.9 28.0 172.0 169 -2.1 171 -2.5 0 0.0 0 0.0 14 58
132 138 SER S E E B e - 0 171 -75.0 148.8 -176.6 -100.7 47.1 122.8 326 -1.8 134 -2.3 0 0.0 0 0.0 15 52
133 139 GLY G S e S+ 0 0 -76.4 66.8 179.4 114.9 82.0 110.9 171 -3.4 0 0.0 0 0.0 0 0.0 10 40
134 140 SER S h > > T - 0 0 -133.8 131.8 -177.1 -128.9 67.5 179.0 132 -2.3 138 -2.7 0 0.0 137 -1.1 7 44
135 141 SER S H H > 3 TS+ 0 0 -49.0 -45.2 -179.0 50.2 107.9 32.6 0 0.0 139 -2.5 0 0.0 0 0.0 7 39
136 142 ARG R H H > 3 TS+ 0 0 -67.0 -28.1 -179.7 46.5 113.7 35.7 0 0.0 140 -1.1 0 0.0 0 0.0 12 50
137 143 VAL V H H > < TS+ 0 0 -77.4 -46.3 179.2 49.2 112.2 21.6 134 -1.1 141 -2.3 0 0.0 0 0.0 16 61
138 144 ILE I H H X TS+ 0 0 -58.0 -44.9 178.9 49.8 111.3 25.4 134 -2.7 142 -2.2 0 0.0 0 0.0 12 49
139 145 ALA A H H X TS+ 0 0 -63.4 -35.0 178.5 53.0 109.3 32.2 135 -2.5 143 -1.7 0 0.0 0 0.0 10 52
140 146 SER S H H X TS+ 0 0 -67.2 -39.6 178.2 52.6 106.3 27.6 136 -1.1 144 -2.2 0 0.0 0 0.0 15 59
141 147 GLY G H H X TS+ 0 0 -61.0 -45.4 178.8 49.1 109.8 22.3 137 -2.3 145 -2.0 0 0.0 0 0.0 13 64
142 148 LYS K H H X TS+ 0 0 -63.8 -36.1 179.3 49.7 110.1 33.1 138 -2.2 146 -1.6 0 0.0 0 0.0 10 53
143 149 LYS K H H X TS+ 0 0 -71.3 -37.7 178.6 52.5 109.0 28.7 139 -1.7 147 -2.3 0 0.0 0 0.0 13 54
144 150 PHE F H H X TS+ 0 0 -60.9 -45.3 179.4 51.1 108.6 21.9 140 -2.2 148 -2.7 0 0.0 0 0.0 14 64
145 151 ILE I H H X TS+ 0 0 -59.1 -40.2 178.7 54.2 107.5 28.3 141 -2.0 149 -2.8 0 0.0 0 0.0 12 55
146 152 GLU E H H X TS+ 0 0 -59.2 -54.4 179.8 42.5 111.8 14.5 142 -1.6 150 -2.6 0 0.0 0 0.0 10 42
147 153 GLY G H H X TS+ 0 0 -59.0 -45.5 -179.7 49.2 116.1 23.9 143 -2.3 151 -1.3 0 0.0 0 0.0 14 47
148 154 PHE F H H X TS+ 0 0 -60.3 -49.9 -178.4 42.0 115.5 21.5 144 -2.7 152 -1.6 0 0.0 0 0.0 15 57
149 155 GLN Q H H X TS+ 0 0 -69.0 -39.4 179.7 58.6 109.0 26.7 145 -2.8 153 -2.2 0 0.0 0 0.0 12 50
150 156 SER S H H X TS+ 0 0 -59.1 -32.7 179.4 45.7 108.9 34.6 146 -2.6 154 -0.6 0 0.0 0 0.0 9 40
151 157 THR T H H < TS+ 0 0 -77.1 -37.7 179.9 55.9 109.2 31.9 147 -1.3 0 0.0 0 0.0 0 0.0 11 41
152 158 LYS K H H < > TS+ 0 0 -63.4 -38.0 179.2 56.7 101.7 30.4 148 -1.6 155 -1.5 0 0.0 0 0.0 11 41
153 159 LEU L H H < 3 TS+ 0 0 -63.8 -30.7 -179.5 51.2 106.0 36.6 149 -2.2 0 0.0 0 0.0 0 0.0 8 30
154 160 LYS K T h < 3 TS+ 0 0 -88.0 4.6 -179.0 102.1 88.1 69.4 150 -0.6 0 0.0 0 0.0 0 0.0 6 26
155 161 ASP D t X T - 0 0 -96.8 112.6 -179.7 -159.1 58.2 144.5 152 -1.5 158 -2.0 0 0.0 0 0.0 8 29
156 162 PRO P T T 3 TS+ 0 0 -54.7 -34.1 -178.7 50.7 94.4 36.6 0 0.0 0 0.0 0 0.0 0 0.0 5 21
157 163 ARG R T T 3 TS+ 0 0 -88.0 1.4 179.5 114.8 85.7 65.4 0 0.0 0 0.0 0 0.0 0 0.0 5 23
158 164 ALA A S t < TS- 0 0 -71.7 148.4 -179.0 -99.5 78.3 113.7 155 -2.0 0 0.0 0 0.0 0 0.0 9 27
159 165 GLN Q t > T - 0 0 -75.7 119.5 -179.6 -125.4 38.7 125.5 123 -2.3 162 -1.1 0 0.0 0 0.0 7 26
160 166 PRO P T T 3 TS+ 0 0 -64.0 143.7 177.8 14.1 85.5 104.6 0 0.0 0 0.0 0 0.0 0 0.0 4 20
161 167 GLY G T T 3 TS+ 0 0 75.2 -1.3 179.9 146.7 84.9 65.2 0 0.0 0 0.0 0 0.0 0 0.0 4 18
162 168 GLN Q t < T - 0 0 -65.3 150.3 -179.1 -107.2 51.1 107.1 159 -1.1 0 0.0 0 0.0 0 0.0 7 26
163 169 SER S - 0 0 -80.8 158.9 178.7 -106.7 30.5 113.6 0 0.0 0 0.0 0 0.0 0 0.0 5 25
164 170 SER S - 0 0 -77.7 157.6 178.7 -108.2 35.0 114.1 0 0.0 0 0.0 0 0.0 0 0.0 6 37
165 171 PRO P + 0 0 -75.9 172.9 177.8 175.9 42.6 108.1 0 0.0 0 0.0 0 0.0 0 0.0 10 48
166 172 LYS K e - 0 0 -164.0 173.0 179.4 -74.0 45.3 161.8 0 0.0 168 -1.2 0 0.0 129 -0.6 8 38
167 173 ILE I E E Be - 129 0 -83.1 101.8 -178.1 -178.6 47.1 133.8 0 0.0 0 0.0 0 0.0 0 0.0 11 45
168 174 ASP D E E B* + 0 0 -71.0 -36.4 -180.0 21.1 65.9 33.2 129 -1.2 0 0.0 166 -1.2 0 0.0 8 38
169 175 VAL V E E Be - 130 0 -138.1 133.2 176.0 -162.7 59.1 176.9 129 -1.4 131 -2.1 0 0.0 171 -0.6 8 44
170 176 VAL V E E Be - 131 0 -115.2 110.3 -178.8 -148.2 18.6 160.9 0 0.0 172 -0.6 0 0.0 0 0.0 9 43
171 177 ILE I E E Be - 132 0 -83.3 120.0 -178.6 -120.8 20.3 131.5 131 -2.5 133 -3.4 169 -0.6 0 0.0 10 48
172 178 SER S - 0 0 -59.4 144.4 178.1 -154.2 10.6 101.8 170 -0.6 0 0.0 0 0.0 0 0.0 9 38
173 179 GLU E + 0 0 -101.4 11.2 178.9 136.7 48.2 76.7 0 0.0 0 0.0 0 0.0 0 0.0 11 35
174 180 ALA A t > T - 0 0 -58.2 142.8 -177.5 -112.8 70.0 107.9 0 0.0 177 -2.9 0 0.0 0 0.0 5 25
175 181 SER S T T 3 TS+ 0 0 -52.0 -27.6 178.6 48.8 118.1 42.3 0 0.0 0 0.0 0 0.0 0 0.0 6 26
176 182 SER S T T 3 TS+ 0 0 -93.3 3.6 -178.2 111.2 90.2 68.3 0 0.0 0 0.0 0 0.0 0 0.0 6 23
177 183 SER S t < T - 0 0 -84.3 140.1 176.6 -131.1 68.4 124.7 174 -2.9 179 -0.9 0 0.0 184 -0.5 10 34
178 184 ASN N + 0 0 -88.4 108.2 -176.0 167.9 40.1 144.0 0 0.0 0 0.0 0 0.0 0 0.0 11 43
179 185 ASN N t > T - 0 0 -129.5 107.5 -179.4 -170.6 26.5 160.8 177 -0.9 182 -0.6 0 0.0 0 0.0 14 54
180 186 THR T T T 3 TS+ 0 0 -69.3 -22.1 -178.7 60.1 87.4 43.1 0 0.0 0 0.0 0 0.0 0 0.0 12 73
181 187 LEU L T T 3 TS+ 0 0 -77.3 -27.4 179.9 0.8 130.5 39.9 0 0.0 0 0.0 0 0.0 0 0.0 13 70
182 188 ASP D S t < TS- 0 0 -162.7 80.5 -179.2 -153.0 83.0 121.1 179 -0.6 0 0.0 0 0.0 0 0.0 13 64
183 189 PRO P + 0 0 -62.5 139.3 178.5 170.1 22.7 108.0 0 0.0 0 0.0 0 0.0 0 0.0 11 62
184 190 GLY G + 0 0 -130.3 6.6 -177.0 82.3 60.0 73.4 177 -0.5 0 0.0 0 0.0 0 0.0 12 50
185 191 THR T + 0 0 -95.2 -2.2 179.5 102.5 55.6 63.5 0 0.0 187 -1.7 0 0.0 0 0.0 10 41
186 192 CYS C h > T - 0 0 -85.3 85.5 -178.3 -167.1 56.0 129.1 0 0.0 190 -2.4 0 0.0 0 0.0 11 48
187 193 THR T H H > TS+ 0 0 -38.1 -61.0 -179.6 45.4 80.2 33.8 185 -1.7 191 -1.2 0 0.0 0 0.0 9 31
188 194 VAL V H H > > TS+ 0 0 -56.8 -44.6 -179.7 50.1 114.0 23.2 432 -2.9 191 -0.7 0 0.0 192 -0.6 10 30
189 195 PHE F H H 4 > TS+ 0 0 -60.4 -44.0 -179.6 56.3 105.5 24.3 0 0.0 192 -1.3 0 0.0 0 0.0 9 45
190 196 GLU E H H < 3 TS+ 0 0 -60.3 -26.1 179.9 50.1 107.3 39.7 186 -2.4 0 0.0 0 0.0 0 0.0 8 40
191 197 ASP D H H < < TS+ 0 0 -88.5 -10.1 -178.6 124.4 83.6 54.6 187 -1.2 0 0.0 188 -0.7 0 0.0 6 27
192 198 SER S h < < T - 0 0 -54.2 134.4 178.4 -177.3 36.3 101.0 189 -1.3 0 0.0 188 -0.6 0 0.0 7 36
193 199 GLU E h > T + 0 0 -117.0 13.3 -179.5 112.7 50.0 78.4 0 0.0 197 -1.7 0 0.0 0 0.0 6 27
194 200 LEU L H H > TS+ 0 0 -52.0 -49.3 -179.7 52.9 74.9 25.2 0 0.0 198 -2.3 0 0.0 0 0.0 9 33
195 201 ALA A H H > TS+ 0 0 -57.9 -36.5 -179.5 52.9 107.0 32.3 0 0.0 199 -2.6 0 0.0 0 0.0 12 40
196 202 ASP D H H > TS+ 0 0 -67.1 -40.7 179.3 48.9 108.8 26.6 0 0.0 200 -2.1 0 0.0 0 0.0 8 31
197 203 THR T H H X TS+ 0 0 -63.3 -46.3 179.9 45.8 114.3 22.4 193 -1.7 201 -2.5 0 0.0 0 0.0 8 29
198 204 VAL V H H X TS+ 0 0 -64.5 -43.9 179.1 52.5 110.7 25.0 194 -2.3 202 -2.5 0 0.0 0 0.0 12 41
199 205 GLU E H H X TS+ 0 0 -58.4 -43.0 -179.6 47.4 111.8 24.1 195 -2.6 203 -2.3 0 0.0 0 0.0 11 45
200 206 ALA A H H X TS+ 0 0 -63.9 -49.7 -179.5 51.0 110.7 19.7 196 -2.1 204 -1.7 0 0.0 0 0.0 8 36
201 207 ASN N H H X TS+ 0 0 -55.2 -50.7 -177.9 40.2 115.8 21.8 197 -2.5 205 -0.6 0 0.0 0 0.0 10 33
202 208 PHE F H H < > TS+ 0 0 -70.3 -45.5 -178.8 55.9 108.6 23.5 198 -2.5 205 -1.6 0 0.0 0 0.0 12 42
203 209 THR T H H X > TS+ 0 0 -55.8 -34.7 179.1 64.0 100.5 28.1 199 -2.3 207 -3.0 0 0.0 206 -2.0 11 46
204 210 ALA A H H < 3 TS+ 0 0 -55.9 -32.9 -179.6 62.3 94.1 34.0 200 -1.7 0 0.0 0 0.0 0 0.0 9 34
205 211 THR T T h < < TS+ 0 0 -73.5 -7.3 -179.4 1.5 127.0 57.7 202 -1.6 0 0.0 201 -0.6 0 0.0 8 35
206 212 PHE F T h > < TS+ 0 0 -151.3 -24.9 -179.9 72.2 113.5 58.1 203 -2.0 210 -1.0 0 0.0 0 0.0 10 40
207 213 VAL V H H X TS+ 0 0 -69.0 -42.2 179.9 66.7 86.8 26.0 203 -3.0 211 -3.0 0 0.0 0 0.0 11 46
208 214 PRO P H H > TS+ 0 0 -47.1 -46.2 178.6 48.4 101.6 28.5 0 0.0 212 -2.4 0 0.0 0 0.0 10 32
209 215 SER S H H > TS+ 0 0 -60.6 -45.1 179.3 48.5 112.6 22.6 0 0.0 213 -2.1 0 0.0 0 0.0 7 31
210 216 ILE I H H X TS+ 0 0 -59.8 -46.0 179.5 52.8 109.9 21.9 206 -1.0 214 -2.5 0 0.0 0 0.0 10 41
211 217 ARG R H H X TS+ 0 0 -56.7 -45.2 179.0 50.7 108.0 25.0 207 -3.0 215 -2.7 0 0.0 0 0.0 12 36
212 218 GLN Q H H X TS+ 0 0 -61.7 -40.4 178.9 51.1 109.1 26.4 208 -2.4 216 -2.1 0 0.0 0 0.0 8 30
213 219 ARG R H H X TS+ 0 0 -63.0 -46.2 -179.8 44.4 113.6 20.3 209 -2.1 217 -2.3 0 0.0 0 0.0 8 36
214 220 LEU L H H X TS+ 0 0 -65.6 -41.5 -179.5 50.4 112.5 25.4 210 -2.5 218 -2.5 0 0.0 0 0.0 8 49
215 221 GLU E H H < TS+ 0 0 -63.3 -37.0 178.8 48.2 113.5 29.3 211 -2.7 0 0.0 0 0.0 0 0.0 12 38
216 222 ASN N H H < TS+ 0 0 -70.2 -42.8 179.6 42.5 115.1 27.6 212 -2.1 0 0.0 0 0.0 0 0.0 7 28
217 223 ASP D H H < TS+ 0 0 -76.5 -30.8 178.9 48.9 115.3 37.2 213 -2.3 219 -0.6 0 0.0 0 0.0 7 33
218 224 LEU L S h < > TS- 0 0 -109.3 68.5 -179.0 -155.5 88.8 125.1 214 -2.5 221 -1.7 0 0.0 0 0.0 11 38
219 225 SER S T T 3 TS+ 0 0 -46.1 127.1 179.8 33.8 76.2 96.5 217 -0.6 78 -2.5 0 0.0 0 0.0 10 27
220 226 GLY G T T 3 TS+ 0 0 108.0 -9.8 -179.0 111.1 95.4 75.5 0 0.0 0 0.0 0 0.0 0 0.0 8 28
221 227 VAL V t < T - 0 0 -102.8 141.0 176.2 -170.4 44.7 141.5 218 -1.7 0 0.0 0 0.0 0 0.0 9 34
222 228 THR T - 0 0 -125.1 138.4 -178.7 -174.9 12.5 169.2 0 0.0 0 0.0 0 0.0 0 0.0 5 36
223 229 LEU L - 0 0 -136.7 148.8 177.3 -136.2 20.3 167.8 0 0.0 0 0.0 0 0.0 0 0.0 8 39
224 230 THR T h > T - 0 0 -93.9 165.5 178.6 -107.7 36.5 125.6 0 0.0 228 -1.3 0 0.0 0 0.0 7 34
225 231 ASP D H H > TS+ 0 0 -59.2 -41.3 179.5 54.8 120.1 25.3 0 0.0 229 -1.4 0 0.0 0 0.0 11 37
226 232 THR T H H > TS+ 0 0 -58.9 -44.8 -179.2 55.4 102.6 26.0 0 0.0 230 -1.1 0 0.0 0 0.0 6 41
227 233 GLU E H H > TS+ 0 0 -60.8 -33.4 178.8 57.7 101.7 33.8 0 0.0 231 -1.4 0 0.0 0 0.0 9 44
228 234 VAL V H H X TS+ 0 0 -62.9 -43.5 178.8 52.5 103.5 21.9 224 -1.3 232 -1.7 0 0.0 0 0.0 12 54
229 235 THR T H H X TS+ 0 0 -62.9 -25.7 178.0 60.1 102.8 37.4 225 -1.4 233 -2.2 0 0.0 0 0.0 9 61
230 236 TYR Y H H X TS+ 0 0 -66.7 -38.7 178.9 50.6 103.5 26.6 226 -1.1 234 -1.8 0 0.0 0 0.0 9 55
231 237 LEU L H H X TS+ 0 0 -66.2 -36.8 177.9 49.2 109.9 31.4 227 -1.4 235 -0.7 0 0.0 0 0.0 10 61
232 238 MET M H H X > TS+ 0 0 -70.0 -37.2 178.9 54.9 107.5 27.0 228 -1.7 235 -0.8 0 0.0 236 -0.8 12 63
233 239 ASP D H H X > TS+ 0 0 -60.7 -37.8 -179.3 61.0 101.1 28.7 229 -2.2 237 -1.6 0 0.0 236 -0.6 9 61
234 240 MET M H H X 3 TS+ 0 0 -61.6 -28.1 179.1 68.3 89.3 40.2 230 -1.8 238 -2.7 0 0.0 0 0.0 11 61
235 241 CYS C H H X < TS+ 0 0 -56.9 -45.5 179.7 41.6 106.3 19.9 232 -0.8 239 -0.7 231 -0.7 0 0.0 13 61
236 242 SER S H H X X TS+ 0 0 -64.7 -61.5 -178.5 41.3 118.7 11.7 232 -0.8 240 -2.2 233 -0.6 239 -0.9 14 62
237 243 PHE F H H X 3 TS+ 0 0 -59.0 -40.6 -179.6 51.5 114.5 30.3 233 -1.6 241 -0.6 0 0.0 0 0.0 11 61
238 244 ASP D H H < 3 TS+ 0 0 -73.2 -17.1 179.3 47.3 113.1 45.5 234 -2.7 0 0.0 0 0.0 0 0.0 10 51
239 245 THR T H H < X TS+ 0 0 -86.0 -58.0 -178.4 34.6 118.0 18.7 236 -0.9 242 -0.9 235 -0.7 0 0.0 10 50
240 246 ILE I H H < 3 TS+ 0 0 -81.6 9.9 179.0 99.4 87.6 71.4 236 -2.2 0 0.0 0 0.0 0 0.0 8 57
241 247 SER S T h < 3 T 0 0 -65.1 -23.9 178.7 999.9 999.9 42.5 237 -0.6 0 0.0 0 0.0 0 0.0 10 46
242! 248 THR T t < T 0 0 -112.1 999.9 999.9 999.9 999.9 147.3 239 -0.9 0 0.0 0 0.0 0 0.0 6 36
243! 253 THR T 0 0 999.9 -37.9 -178.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 24
244 254 LYS K - 0 0 -117.7 146.8 -180.0 -114.1 999.9 150.6 0 0.0 0 0.0 0 0.0 0 0.0 4 28
245 255 LEU L - 0 0 -75.3 134.2 179.9 -106.8 40.3 122.7 0 0.0 0 0.0 0 0.0 0 0.0 8 36
246 256 SER S g > > T - 0 0 -61.8 137.7 179.3 -130.4 17.0 108.3 0 0.0 249 -1.9 0 0.0 250 -0.6 10 40
247 257 PRO P G G 4 > TS+ 0 0 -59.4 -26.9 178.2 72.1 105.4 36.8 0 0.0 250 -1.0 0 0.0 0 0.0 9 39
248 258 PHE F G G 4 > TS+ 0 0 -58.3 -26.9 -179.4 58.1 91.4 38.5 0 0.0 251 -0.7 0 0.0 0 0.0 11 52
249 259 CYS C G G 4 X TS+ 0 0 -72.4 -30.2 -177.9 63.4 95.9 34.9 246 -1.9 252 -1.3 0 0.0 0 0.0 11 50
250 260 ASP D G G < < TS+ 0 0 -70.5 -13.3 -178.6 70.6 87.7 53.3 247 -1.0 0 0.0 246 -0.6 0 0.0 8 40
251 261 LEU L G G < TS+ 0 0 -81.7 -7.9 -178.2 59.4 96.4 55.3 248 -0.7 0 0.0 0 0.0 0 0.0 8 45
252 262 PHE F S g < TS- 0 0 -125.7 148.1 -179.1 -129.1 77.5 157.4 249 -1.3 0 0.0 0 0.0 0 0.0 10 45
253 263 THR T h > T - 0 0 -87.5 171.4 -178.7 -101.8 32.6 110.8 0 0.0 257 -1.4 0 0.0 0 0.0 7 34
254 264 HIS H H H > TS+ 0 0 -62.1 -40.8 178.9 53.2 119.0 31.5 0 0.0 258 -2.0 0 0.0 0 0.0 7 28
255 265 ASP D H H > TS+ 0 0 -66.6 -26.0 178.0 55.5 106.3 39.7 0 0.0 259 -1.4 0 0.0 0 0.0 6 31
256 266 GLU E H H > TS+ 0 0 -73.8 -36.8 176.6 50.3 106.4 29.1 0 0.0 260 -2.6 0 0.0 0 0.0 9 47
257 267 TRP W H H X TS+ 0 0 -66.3 -38.7 178.3 55.9 106.0 25.9 253 -1.4 261 -3.1 0 0.0 0 0.0 12 51
258 268 ILE I H H X TS+ 0 0 -58.1 -39.7 178.9 44.7 111.4 25.0 254 -2.0 262 -1.6 0 0.0 0 0.0 9 46
259 269 ASN N H H X TS+ 0 0 -69.6 -44.6 179.2 51.5 111.5 24.2 255 -1.4 263 -2.3 0 0.0 0 0.0 10 54
260 270 TYR Y H H X TS+ 0 0 -57.3 -48.9 179.5 51.4 108.9 20.5 256 -2.6 264 -2.0 0 0.0 0 0.0 12 64
261 271 ASP D H H X TS+ 0 0 -54.3 -45.4 -179.8 49.0 110.6 24.3 257 -3.1 265 -1.6 0 0.0 0 0.0 13 62
262 272 TYR Y H H X TS+ 0 0 -64.4 -37.8 178.1 57.4 105.5 29.9 258 -1.6 266 -2.2 0 0.0 0 0.0 12 63
263 273 LEU L H H X TS+ 0 0 -59.7 -40.7 179.0 51.1 105.7 25.9 259 -2.3 267 -2.3 0 0.0 0 0.0 11 63
264 274 GLN Q H H X TS+ 0 0 -64.4 -39.7 177.1 51.7 108.0 27.3 260 -2.0 268 -1.9 0 0.0 0 0.0 12 65
265 275 SER S H H X TS+ 0 0 -62.5 -40.2 179.4 50.5 110.0 27.0 261 -1.6 269 -2.7 0 0.0 0 0.0 13 69
266 276 LEU L H H X TS+ 0 0 -64.3 -48.6 179.5 52.9 106.8 19.1 262 -2.2 270 -2.7 0 0.0 0 0.0 14 63
267 277 LYS K H H X TS+ 0 0 -52.5 -49.2 -179.8 39.4 116.4 22.5 263 -2.3 271 -0.9 0 0.0 0 0.0 12 55
268 278 LYS K H H X >TS+ 0 0 -68.6 -42.4 -179.2 51.3 115.9 26.0 264 -1.9 272 -2.6 0 0.0 273 -1.5 13 65
269 279 TYR Y H H < 5TS+ 0 0 -63.7 -44.4 -179.7 31.8 120.2 27.0 265 -2.7 275 -1.7 0 0.0 276 -0.7 13 68
270 280 TYR Y H H < 5TS+ 0 0 -91.4 -9.2 179.0 51.0 122.6 55.8 266 -2.7 0 0.0 0 0.0 0 0.0 14 54
271 281 GLY G H H < 5TS- 0 0 -91.8 -44.1 -177.8 -9.6 137.6 29.4 267 -0.9 0 0.0 0 0.0 0 0.0 12 55
272 282 HIS H T h < 5TS+ 0 0 -134.3 -9.3 179.8 77.1 116.6 63.1 268 -2.6 0 0.0 0 0.0 0 0.0 16 64
273 283 GLY G S t > 3 TS+ 0 0 -106.5 16.6 -179.7 101.0 95.9 79.5 0 0.0 282 -0.7 0 0.0 0 0.0 13 52
279 289 GLY G T g 4 X TS+ 0 0 -64.1 -67.3 179.6 37.1 85.8 6.2 276 -1.8 282 -1.8 0 0.0 0 0.0 15 65
280 290 PRO P G G 4 > TS+ 0 0 -56.6 -31.4 178.4 70.5 106.7 35.4 0 0.0 283 -2.1 0 0.0 0 0.0 17 62
281 291 THR T G G 4 > TS+ 0 0 -56.4 -29.2 179.5 66.8 86.7 36.7 0 0.0 284 -1.2 0 0.0 0 0.0 13 63
282 292 GLN Q G G < < TS+ 0 0 -67.1 -16.2 -178.4 49.5 101.0 46.2 279 -1.8 0 0.0 278 -0.7 0 0.0 18 69
283 293 GLY G G h > < TS+ 0 0 -104.9 3.2 -178.3 90.2 81.3 63.9 280 -2.1 287 -1.7 0 0.0 0 0.0 18 69
284 294 VAL V H H > < TS+ 0 0 -68.4 -36.7 178.5 57.9 82.3 28.9 281 -1.2 288 -2.7 0 0.0 0 0.0 18 63
285 295 GLY G H H > TS+ 0 0 -55.2 -50.6 178.5 43.9 110.2 19.5 0 0.0 289 -1.6 0 0.0 0 0.0 15 63
286 296 TYR Y H H > TS+ 0 0 -60.7 -40.1 179.0 54.7 111.7 29.0 0 0.0 290 -2.0 0 0.0 0 0.0 12 72
287 297 ALA A H H X TS+ 0 0 -61.9 -41.9 178.7 49.1 107.4 27.0 283 -1.7 291 -2.4 0 0.0 0 0.0 12 68
288 298 ASN N H H X TS+ 0 0 -68.9 -29.0 177.0 53.0 109.3 35.4 284 -2.7 292 -1.9 0 0.0 0 0.0 13 59
289 299 GLU E H H X TS+ 0 0 -71.0 -36.0 178.0 49.9 109.1 30.5 285 -1.6 293 -1.9 0 0.0 0 0.0 10 67
290 300 LEU L H H X TS+ 0 0 -66.5 -45.5 178.2 51.3 108.5 21.8 286 -2.0 294 -2.7 0 0.0 0 0.0 8 68
291 301 ILE I H H X TS+ 0 0 -56.6 -42.3 179.0 53.7 108.7 24.3 287 -2.4 295 -2.3 0 0.0 0 0.0 11 60
292 302 ALA A H H X >TS+ 0 0 -59.1 -44.7 -179.3 44.8 111.2 22.7 288 -1.9 297 -1.8 0 0.0 296 -0.7 13 50
293 303 ARG R H H < 5TS+ 0 0 -69.1 -41.6 180.0 49.4 112.4 25.6 289 -1.9 0 0.0 0 0.0 0 0.0 10 52
294 304 LEU L H H < 5TS+ 0 0 -65.1 -39.9 -179.3 34.3 122.2 26.6 290 -2.7 0 0.0 0 0.0 0 0.0 9 53
295 305 THR T H H < 5TS- 0 0 -95.2 0.2 -178.6 -127.6 103.4 64.1 291 -2.3 0 0.0 0 0.0 0 0.0 6 41
296 306 HIS H T h < 5T + 0 0 54.1 42.7 -178.9 127.5 67.4 27.9 292 -0.7 0 0.0 0 0.0 0 0.0 8 34
297 307 SER S t T - 0 0 -89.4 110.9 -178.4 -160.4 20.7 146.1 0 0.0 310 -2.1 0 0.0 0 0.0 9 47
307 317 HIS H H H > TS+ 0 0 -61.7 -41.5 179.5 46.7 90.4 28.3 305 -0.8 311 -0.6 0 0.0 0 0.0 6 30
308 318 THR T H H 4 > TS+ 0 0 -66.3 -49.7 -179.3 50.6 111.5 18.4 0 0.0 311 -1.2 0 0.0 0 0.0 6 28
309 319 LEU L H H 4 3 TS+ 0 0 -58.1 -36.8 -178.9 44.7 114.3 31.3 0 0.0 0 0.0 0 0.0 0 0.0 8 38
310 320 ASP D H H < 3 TS+ 0 0 -89.2 -1.0 -177.8 76.7 94.9 62.2 306 -2.1 0 0.0 0 0.0 0 0.0 11 44
311 321 SER S S h < < TS+ 0 0 -85.4 -11.3 -177.5 61.2 89.2 53.0 308 -1.2 0 0.0 307 -0.6 0 0.0 10 27
312 322 SER S S t > > TS- 0 0 -125.6 143.0 179.6 -132.4 74.2 159.2 0 0.0 316 -2.0 0 0.0 315 -1.3 9 26
313 323 PRO P T T 4 3 TS+ 0 0 -56.7 -27.6 -179.9 67.3 104.2 42.8 0 0.0 0 0.0 0 0.0 0 0.0 8 29
314 324 ALA A T T 4 3 TS+ 0 0 -66.3 -33.8 -178.7 19.4 118.5 31.9 0 0.0 0 0.0 0 0.0 0 0.0 5 26
315 325 THR T T T 4 < TS+ 0 0 -114.5 -8.5 177.4 28.1 140.3 58.7 312 -1.3 0 0.0 0 0.0 0 0.0 10 38
316 326 PHE F S t < TS- 0 0 -153.7 78.1 179.7 -172.9 71.5 120.6 312 -2.0 0 0.0 0 0.0 0 0.0 9 50
317 327 PRO P - 0 0 -73.5 134.9 -179.6 -163.9 9.8 121.8 0 0.0 0 0.0 0 0.0 0 0.0 9 40
318 328 LEU L S S S+ 0 0 -97.9 -8.1 -178.2 50.1 82.6 58.5 0 0.0 0 0.0 0 0.0 0 0.0 10 38
319 329 ASN N S S S+ 0 0 -119.3 17.9 175.2 113.1 71.7 77.6 0 0.0 0 0.0 0 0.0 0 0.0 6 36
320 330 SER S - 0 0 -75.1 163.3 -178.6 -148.9 56.8 118.5 0 0.0 0 0.0 0 0.0 0 0.0 9 43
321 331 THR T S e S+ 0 0 -106.4 -24.6 -178.3 49.4 76.6 43.7 0 0.0 47 -2.1 0 0.0 0 0.0 10 48
322 332 LEU L E E Bc + 47 0 -119.6 132.0 177.9 176.7 63.5 163.0 0 0.0 128 -2.2 0 0.0 0 0.0 13 58
323 333 TYR Y E E Bcd - 48 128 -133.5 148.4 177.3 -169.9 8.8 166.1 47 -1.7 49 -2.2 0 0.0 0 0.0 11 62
324 334 ALA A E E Bcd - 49 129 -140.9 128.6 179.5 -174.8 5.0 170.3 128 -2.0 130 -2.2 0 0.0 0 0.0 12 76
325 335 ASP D E E Bcd - 50 130 -124.8 141.6 -179.4 -153.8 9.3 164.2 49 -2.2 51 -3.0 0 0.0 0 0.0 11 73
326 336 PHE F E E Bcd + 51 131 -121.6 131.2 -177.0 134.4 29.8 164.8 130 -1.7 132 -1.8 0 0.0 0 0.0 16 71
327 337 SER S E E Bc - 52 0 -149.4 -164.1 179.5 -72.6 46.2 135.7 51 -2.4 53 -1.4 0 0.0 0 0.0 15 64
328 338 HIS H h > T - 0 0 -102.9 163.2 179.8 -107.3 42.8 128.2 0 0.0 332 -2.0 0 0.0 0 0.0 11 66
329 339 ASP D H H > TS+ 0 0 -57.9 -43.7 -178.9 56.5 115.2 26.0 0 0.0 333 -2.5 0 0.0 0 0.0 10 66
330 340 ASN N H H > TS+ 0 0 -57.5 -50.3 178.2 44.6 108.2 22.6 0 0.0 334 -1.9 0 0.0 0 0.0 9 67
331 341 GLY G H H > TS+ 0 0 -62.4 -39.9 -179.9 52.1 113.3 25.5 0 0.0 335 -2.1 0 0.0 0 0.0 14 69
332 342 ILE I H H X TS+ 0 0 -64.1 -40.1 179.1 54.3 105.7 24.5 328 -2.0 336 -2.7 0 0.0 0 0.0 15 74
333 343 ILE I H H X TS+ 0 0 -56.8 -51.5 179.9 45.5 110.8 17.3 329 -2.5 337 -1.9 0 0.0 0 0.0 14 69
334 344 SER S H H X TS+ 0 0 -59.1 -40.8 179.9 51.4 112.7 28.6 330 -1.9 338 -2.6 0 0.0 0 0.0 16 68
335 345 ILE I H H X TS+ 0 0 -63.9 -43.7 178.6 54.3 106.1 26.4 331 -2.1 339 -1.3 0 0.0 0 0.0 14 73
336 346 LEU L H H < >TS+ 0 0 -58.3 -43.3 178.6 42.8 113.5 25.8 332 -2.7 341 -1.7 0 0.0 0 0.0 12 80
337 347 PHE F H H < >5TS+ 0 0 -71.3 -41.6 178.4 56.4 109.0 24.2 333 -1.9 340 -2.2 0 0.0 0 0.0 14 71
338 348 ALA A H H < 35TS+ 0 0 -61.8 -22.2 178.0 57.0 103.4 43.9 334 -2.6 0 0.0 0 0.0 0 0.0 15 64
339 349 LEU L T h < 35TS- 0 0 -88.4 2.8 178.5 -119.9 115.4 66.3 335 -1.3 0 0.0 0 0.0 0 0.0 11 67
340 350 GLY G T T X5T + 0 0 69.5 18.6 -178.7 138.4 69.2 49.2 337 -2.2 343 -1.0 0 0.0 0 0.0 11 66
341 351 LEU L T T 3 TS+ 0 0 -118.3 37.8 179.9 124.7 70.9 94.8 0 0.0 345 -1.4 0 0.0 0 0.0 9 56
343 353 ASN N T T < TS+ 0 0 -67.6 -19.5 179.4 59.0 71.7 47.2 340 -1.0 0 0.0 0 0.0 0 0.0 8 40
344 354 GLY G T T 3 TS+ 0 0 -94.1 13.9 -179.2 98.4 86.0 76.2 0 0.0 346 -0.5 0 0.0 0 0.0 6 31
345 355 THR T t < T - 0 0 -104.3 122.4 178.5 -147.9 64.7 153.3 342 -1.4 0 0.0 0 0.0 0 0.0 9 41
346 356 LYS K - 0 0 -85.8 156.3 -179.9 -72.4 44.1 124.3 344 -0.5 0 0.0 0 0.0 0 0.0 6 31
347 357 PRO P - 0 0 -47.1 132.6 -178.1 -108.9 60.6 98.9 0 0.0 0 0.0 0 0.0 0 0.0 6 42
348 358 LEU L - 0 0 -69.8 138.5 179.4 -106.9 32.5 116.2 0 0.0 0 0.0 0 0.0 0 0.0 9 45
349 359 SER S - 0 0 -63.7 137.0 -179.7 -151.6 21.6 114.5 0 0.0 0 0.0 0 0.0 0 0.0 7 42
350 360 THR T S S S+ 0 0 -90.0 -2.9 -179.3 37.3 91.7 62.2 0 0.0 0 0.0 0 0.0 0 0.0 9 41
351 361 THR T S S S+ 0 0 -118.3 -26.4 -178.1 49.0 113.1 49.1 0 0.0 0 0.0 0 0.0 0 0.0 7 31
352 362 THR T S S S- 0 0 -125.1 143.3 178.9 -114.0 79.7 160.3 0 0.0 0 0.0 0 0.0 0 0.0 6 33
353 363 VAL V - 0 0 -70.3 137.7 177.6 -160.8 29.1 118.6 0 0.0 0 0.0 0 0.0 0 0.0 8 44
354 364 GLU E - 0 0 -122.3 135.6 -178.5 -128.1 14.3 167.5 0 0.0 0 0.0 0 0.0 0 0.0 10 38
355 365 ASN N t > > T - 0 0 -80.4 170.0 -178.0 -95.7 31.7 106.6 0 0.0 359 -1.9 0 0.0 358 -0.5 6 36
356 366 ILE I T T 4 3>TS+ 0 0 -59.5 -18.0 177.5 56.5 123.7 52.3 0 0.0 361 -2.9 0 0.0 0 0.0 9 40
357 367 THR T T T 4 >5TS+ 0 0 -79.8 -43.4 179.9 46.0 108.5 27.7 0 0.0 360 -1.0 0 0.0 0 0.0 7 26
358 368 GLN Q T T 4 <5TS+ 0 0 -66.7 -36.5 -179.1 48.0 114.5 31.1 355 -0.5 0 0.0 0 0.0 0 0.0 8 24
359 369 THR T T T < >5TS- 0 0 -88.3 7.5 178.6 -121.3 110.9 71.9 355 -1.9 362 -0.9 0 0.0 0 0.0 13 39
360 370 ASP D T T <5TS- 0 0 54.1 48.8 178.3 -41.0 76.2 25.4 357 -1.0 0 0.0 0 0.0 0 0.0 9 41
361 371 GLY G T T 3 T - 0 0 -169.1 154.1 179.4 -111.6 65.2 155.9 0 0.0 367 -1.5 0 0.0 0 0.0 11 70
364 374 SER S H H > TS+ 0 0 -61.1 -38.7 -179.5 52.5 119.5 25.8 0 0.0 368 -2.1 0 0.0 0 0.0 13 67
365 375 ALA A H H 4 TS+ 0 0 -67.0 -28.9 179.9 44.7 112.5 38.8 0 0.0 0 0.0 0 0.0 0 0.0 15 64
366 376 TRP W H H 4 TS+ 0 0 -89.9 -17.6 -179.1 26.4 127.2 48.3 0 0.0 0 0.0 0 0.0 0 0.0 12 70
367 377 THR T H H < TS+ 0 0 -110.8 -47.9 -179.4 20.9 131.5 36.2 363 -1.5 0 0.0 0 0.0 0 0.0 11 75
368 378 VAL V S h < TS+ 0 0 -122.9 51.5 178.5 144.9 70.5 107.5 364 -2.1 0 0.0 0 0.0 0 0.0 14 69
369 379 PRO P S t > TS- 0 0 -72.9 179.0 176.9 -66.5 70.5 103.4 0 0.0 372 -1.5 0 0.0 0 0.0 15 67
370 380 PHE F B B b 3 TS+ 24 0 -63.4 141.3 179.7 11.0 126.9 116.2 23 -3.0 25 -0.9 0 0.0 0 0.0 14 75
371 381 ALA A T T 3 TS+ 0 0 59.8 29.8 178.3 169.2 91.1 37.2 53 -2.7 0 0.0 0 0.0 0 0.0 16 81
372 382 SER S e < T - 0 0 -66.6 160.2 177.3 -157.8 15.8 107.9 369 -1.5 52 -2.0 0 0.0 0 0.0 13 73
373 383 ARG R E E BB - 51 0 -145.8 141.9 178.1 -162.5 15.0 176.3 0 0.0 394 -2.9 0 0.0 0 0.0 10 75
374 384 LEU L E E BBF - 50 393 -119.7 133.2 177.9 -159.3 13.9 166.9 50 -2.2 50 -2.3 0 0.0 0 0.0 12 72
375 385 TYR Y E E BBF - 49 392 -116.7 136.0 175.3 -169.8 9.0 162.4 392 -2.7 392 -2.0 0 0.0 377 -0.5 11 64
376 386 VAL V E E BBF + 48 391 -123.0 113.8 -179.8 179.2 19.2 169.5 48 -2.3 48 -2.1 0 0.0 0 0.0 12 66
377 387 GLU E E E BBF - 47 390 -119.3 149.5 178.1 -158.7 18.3 152.8 390 -2.6 390 -2.1 375 -0.5 0 0.0 12 65
378 388 MET M E E BBF - 46 389 -123.8 140.4 -178.7 -179.5 19.1 165.0 46 -2.2 45 -2.9 0 0.0 46 -1.3 14 59
379 389 MET M E E BBF - 44 388 -140.6 161.3 178.7 -141.4 24.4 160.3 388 -2.3 388 -2.8 0 0.0 0 0.0 12 48
380 390 GLN Q E E BB - 43 0 -123.6 129.8 -178.8 -166.5 25.0 172.2 43 -2.1 43 -1.9 0 0.0 0 0.0 13 35
381 391 CYS C E E BB - 42 0 -122.0 155.3 -178.3 -113.2 31.0 151.3 0 0.0 0 0.0 0 0.0 0 0.0 10 30
382 392 GLN Q S e S+ 0 0 -48.7 -47.5 -179.2 39.3 113.1 33.4 41 -1.7 0 0.0 0 0.0 0 0.0 7 19
383 393 ALA A S S S+ 0 0 -74.4 -45.7 -178.6 67.7 107.4 23.6 0 0.0 0 0.0 0 0.0 0 0.0 4 20
384 394 GLU E - 0 0 -77.3 156.6 179.2 -158.7 59.0 109.8 0 0.0 0 0.0 0 0.0 0 0.0 7 28
385 395 GLN Q S S S+ 0 0 -101.0 -39.5 179.3 62.0 75.1 38.5 0 0.0 0 0.0 0 0.0 0 0.0 7 22
386 396 GLU E S S S- 0 0 -86.5 151.7 178.8 -100.3 95.4 123.2 0 0.0 0 0.0 0 0.0 0 0.0 7 31
387 397 PRO P e - 0 0 -71.7 149.0 -179.4 -135.0 37.4 117.2 0 0.0 413 -2.4 0 0.0 0 0.0 11 44
388 398 LEU L E E BFG - 379 412 -108.6 138.8 -179.1 -146.6 10.6 150.3 379 -2.8 379 -2.3 0 0.0 0 0.0 11 50
389 399 VAL V E E BFG + 378 411 -104.7 143.9 178.5 175.7 18.3 142.8 411 -3.4 411 -1.5 0 0.0 0 0.0 13 62
390 400 ARG R E E BF - 377 0 -148.3 144.7 -179.3 -152.4 14.8 173.3 377 -2.1 377 -2.6 0 0.0 0 0.0 14 64
391 401 VAL V E E BF - 376 0 -123.7 128.7 177.4 -171.1 6.7 167.8 0 0.0 398 -2.2 0 0.0 0 0.0 12 71
392 402 LEU L E E BFH - 375 397 -115.9 137.1 178.3 -160.8 6.6 162.0 375 -2.0 375 -2.7 0 0.0 394 -0.5 12 64
393 403 VAL V E E BFH> TS- 374 396 -121.0 110.1 -178.5 -23.5 80.2 163.4 396 -2.7 396 -1.7 0 0.0 0 0.0 13 66
394 404 ASN N T e 3 TS- 0 0 53.4 40.1 178.6 -50.5 129.6 29.6 373 -2.9 28 -2.6 392 -0.5 0 0.0 14 70
395 405 ASP D T T 3 TS+ 0 0 79.9 2.7 178.4 119.4 112.3 69.3 0 0.0 0 0.0 0 0.0 0 0.0 11 56
396 406 ARG R E E BH < T - 393 0 -96.6 129.4 177.8 -126.7 67.4 147.2 393 -1.7 393 -2.7 0 0.0 398 -0.8 14 51
397 407 VAL V E E BH - 392 0 -75.9 113.8 -179.4 -155.7 26.7 131.7 34 -0.5 0 0.0 0 0.0 0 0.0 15 48
398 408 VAL V e - 0 0 -95.8 113.2 179.3 -126.0 14.8 146.1 391 -2.2 0 0.0 396 -0.8 0 0.0 10 57
399 409 PRO P - 0 0 -59.5 137.6 -178.3 -117.6 28.9 108.7 0 0.0 0 0.0 0 0.0 0 0.0 10 51
400 410 LEU L - 0 0 -77.8 151.8 178.7 -146.8 21.9 113.4 409 -0.6 0 0.0 0 0.0 0 0.0 14 52
401 411 HIS H S S S+ 0 0 -120.0 148.1 179.7 33.5 74.4 156.2 0 0.0 0 0.0 0 0.0 0 0.0 10 42
402 412 GLY G S S S+ 0 0 92.7 -4.9 179.8 68.8 109.1 68.9 0 0.0 0 0.0 0 0.0 0 0.0 8 35
403 413 CYS C S S S- 0 0 -142.7 156.4 -179.8 -90.4 96.7 164.7 0 0.0 405 -1.0 0 0.0 0 0.0 10 35
404 414 PRO P - 0 0 -70.6 97.7 179.6 -154.3 46.7 124.4 0 0.0 0 0.0 0 0.0 0 0.0 7 29
405 415 VAL V - 0 0 -77.5 143.5 177.5 -142.8 2.1 119.3 403 -1.0 0 0.0 0 0.0 0 0.0 11 37
406 416 ASP D t > T - 0 0 -93.0 177.8 -178.9 -81.9 40.9 112.5 410 -1.9 409 -2.4 0 0.0 0 0.0 7 32
407 417 ALA A T T 3 TS+ 0 0 -54.2 -21.4 179.9 52.0 130.0 47.7 0 0.0 0 0.0 0 0.0 0 0.0 6 30
408 418 LEU L T T 3 TS- 0 0 -101.5 10.3 177.9 -102.7 121.1 73.7 0 0.0 0 0.0 0 0.0 0 0.0 7 40
409 419 GLY G S t < TS+ 0 0 83.9 9.5 -177.8 133.9 77.3 57.7 406 -2.4 400 -0.6 0 0.0 0 0.0 12 44
410 420 ARG R - 0 0 -96.2 158.7 176.8 -168.8 36.0 122.3 0 0.0 406 -1.9 0 0.0 0 0.0 12 54
411 421 CYS C E E BG - 389 0 -136.1 149.9 177.8 -97.8 38.6 163.4 389 -1.5 389 -3.4 0 0.0 0 0.0 14 45
412 422 THR T E E >BG T - 388 0 -64.9 151.9 -179.4 -114.3 39.8 113.2 0 0.0 416 -2.3 0 0.0 0 0.0 10 44
413 423 ARG R H H > TS+ 0 0 -54.6 -45.7 -178.5 52.6 113.4 23.5 387 -2.4 417 -2.7 0 0.0 0 0.0 12 49
414 424 ASP D H H > TS+ 0 0 -60.8 -45.1 179.1 42.5 111.1 27.9 0 0.0 418 -2.4 0 0.0 0 0.0 6 38
415 425 SER S H H > TS+ 0 0 -71.8 -32.0 178.2 54.5 114.1 30.8 0 0.0 419 -2.1 0 0.0 0 0.0 10 35
416 426 PHE F H H X TS+ 0 0 -62.3 -50.3 179.1 42.0 112.2 18.5 412 -2.3 420 -0.7 0 0.0 0 0.0 13 46
417 427 VAL V H H < > TS+ 0 0 -62.0 -43.5 179.0 54.3 113.2 23.6 413 -2.7 420 -1.2 0 0.0 0 0.0 9 50
418 428 ARG R H H < 3 TS+ 0 0 -58.8 -36.6 179.6 58.0 103.3 30.1 414 -2.4 0 0.0 0 0.0 0 0.0 8 34
419 429 GLY G H H < 3 TS+ 0 0 -69.7 -17.6 179.6 78.0 86.0 48.7 415 -2.1 421 -1.1 0 0.0 0 0.0 9 40
420 430 LEU L h X < T + 0 0 -87.5 50.9 -178.3 139.1 53.9 105.6 417 -1.2 424 -2.6 416 -0.7 0 0.0 11 49
421 431 SER S H H > T + 0 0 -64.0 -36.8 179.8 57.5 64.9 29.9 419 -1.1 425 -1.5 0 0.0 0 0.0 8 39
422 432 PHE F H H 4 >TS+ 0 0 -59.7 -47.1 179.3 39.5 112.8 22.0 0 0.0 427 -2.9 0 0.0 0 0.0 9 48
423 433 ALA A H H 4 >5TS+ 0 0 -68.1 -49.6 -178.8 55.8 111.8 18.7 0 0.0 426 -2.1 0 0.0 0 0.0 14 49
424 434 ARG R H H < 35TS+ 0 0 -55.5 -27.2 179.9 49.7 108.8 40.7 420 -2.6 0 0.0 0 0.0 0 0.0 11 47
425 435 SER S T h < 35TS- 0 0 -90.5 -6.2 179.4 -103.4 123.2 60.6 421 -1.5 0 0.0 0 0.0 0 0.0 6 35
426 436 GLY G T T X5T - 0 0 94.2 16.0 -179.6 -119.5 42.6 49.8 423 -2.1 429 -2.0 0 0.0 0 0.0 13 46
427 437 GLY G T T 3 TS+ 0 0 -108.4 37.5 -177.9 134.5 91.3 100.4 0 0.0 431 -0.8 0 0.0 0 0.0 8 41
429 439 TRP W G G X T + 0 0 -57.7 -32.0 179.6 66.6 62.9 35.6 426 -2.0 432 -2.0 0 0.0 0 0.0 11 46
430 440 ALA A G G > > TS+ 0 0 -54.7 -45.7 179.4 63.8 90.4 22.5 0 0.0 433 -1.9 0 0.0 434 -1.1 6 30
431 441 GLU E G G 4 < TS+ 0 0 -57.1 -6.2 -179.3 83.7 82.5 59.0 428 -0.8 0 0.0 0 0.0 0 0.0 8 28
432 442 CYS C G G 4 < TS+ 0 0 -70.2 -28.2 -176.3 21.7 104.9 37.3 429 -2.0 188 -2.9 0 0.0 0 0.0 11 33
433 443 PHE F T g 4 < T 0 0 -113.4 -27.4 178.6 999.9 999.9 46.6 430 -1.9 0 0.0 0 0.0 0 0.0 7 24
434 444 ALA A t < T 0 0 -82.4 999.9 999.9 999.9 999.9 19.9 430 -1.1 0 0.0 0 0.0 0 0.0 5 16
1ihp-.pdb
1IHP PHOSPHOMONOESTERASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EETTTEE TTHHHHTTSGGGSB B GGG SS S TTEEEEEEEEEEE B HHHHHHHHHHHHHHHHH S GGGGGGGG SSB Kabs/Sand
chirality ++-++--++-+++++++--++-----++++-+--+---++--++++------------+++++++++++++++++-+++-++++++++--++---+--- chirality
bends S SSS SS SSSSSSSSSS SSS SS S SS SSSSSSSSSSSSSSSSS S SSSSSSSS SS bends
turns TTTTT TTTTTTTTTTTTTT TTTTT TTTT TTTTTTTTTTTTTTTTTTT TTTTTTTTTT T turns
5-turns 5-turns
3-turns >3><3X>33<< >>3<< >33< >33< >>3XX>X<<< 3-turns
bridge-2 A cccccc bridge-2
bridge-1 AA AA b A BBB*BBBBBB C C bridge-1
sheets AA AA BBBBBBBBBBB sheets
4-turns >444< >>44<< >444< >>>>XXXXXXXXXXX<<<< >444< > 4-turns
summary eEETTTEEeThHHHHhGgGGGgB B gGGGgSS S tTeEEEEEEEEEEEe B hHHHHHHHHHHHHHHHHHhS gGGGGGGGGg SSBh summary
sequence SCDTVDQGYQCFSETSHLWGQYAPFFSLANESVISPEVPAGCRVTFAQVLSRHGARYPTDSKGKKYSALIEEIQQNATTFDGKYAFLKTYNYSLGADDLT sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHHHHHHHHHHTHHHHTT EEEEES HHHHHHHHHHHHHHHHHHHT TTS TT EEEEE TT TTS HHHHH HHHHHHH Kabs/Sand
chirality ++++++++++++++++++++++++----+---+-++++++++++++++++++++-++--++---+--+----+-++-+-++-+++-+++++-++++++++ chirality
bends SSSSSSSSSSSSSSSSSS SSSSS S SSSSSSSSSSSSSSSSSSSS SSS SS SS SSS SSSSS SSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTT TTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >3><3X33< >33< >33X33<>33< >33< >33< >>3<< 3-turns
bridge-2 eeee bridge-2
bridge-1 dddd e*eee bridge-1
sheets BBBBB BBBBB sheets
4-turns >>>XXXXXXXXXXX<<4><<4< >>>>XXXXXXXXXXXXX<<<< >>>4<<<>>>>XXXX 4-turns
summary HHHHHHHHHHHHHHHHHhHHHHhTt EEEEEehHHHHHHHHHHHHHHHHHHHhtTTttTTt eEEEEE tTTt tTTt hHHHHHhhHHHHHHH summary
sequence PFGEQELVNSGIKFYQRYESLTRNIVPFIRSSGSSRVIASGKKFIEGFQSTKLKDPRAQPGQSSPKIDVVISEASSSNNTLDPGTCTVFEDSELADTVEA sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHTTHHHHHHHHHHHSTT HHHHHHHHHHHHHHHHT GGGGGS HHHHHHHHHHHHHHHHHHTSTTSTTTGGGGHHHHHHHHHHHHT Kabs/Sand
chirality +++++++++++++++++-++----++++++++++++++++ ---+++++--+++++++++++++++++-+-++-++++++++++++++++++-+---+ chirality
bends SSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSS SSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>3<< >33< >>3>>X<<< >33X33X>><<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XX>>XXXXX<<<< >>>>XXXXXXXXXX<<<< >444< >>>>XXXXXXXXXXXX<<<< >444<>>>>XXXXXX<<<< 4-turns
summary HHHHhhHHHHHHHHHHHhTTt hHHHHHHHHHHHHHHHHht gGGGGGghHHHHHHHHHHHHHHHHHHhtTTtTTgGGGhHHHHHHHHHHHHht summary
sequence NFTATFVPSIRQRLENDLSGVTLTDTEVTYLMDMCSFDTISTTKLSPFCDLFTHDEWINYDYLQSLKKYYGHGAGNPLGPTQGVGYANELIARLTHSPVH sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand SSS HHHHSSTTTS SS SEEEEEE HHHHHHHHHHTTTTTT SSS TTTTTT HHHHSSBT EEEEEEEEESS SS EEEEEETTEE Kabs/Sand
chirality ++-+--+++++-+++--++-++---+--++++++++++-+++++-----++----+++--++-+++++-++----+-----++-+---+-----+----- chirality
bends SSS SSSSSSSSSS SS S SSSSSSSSSSS SSSS SSS SSSSSS SSSSSSSS SS SS SSS bends
turns TTTTTTTTTTT TTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT TTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33<>33< >33X3><3< >3><><3< >33< >33< 3-turns
bridge-2 dddd FFFFFF GG HH bridge-2
bridge-1 cccccc b BBBBBBBBB FFFFFF HH bridge-1
sheets BBBBBB BBBBBBBBB BBBBBB BB sheets
4-turns >>44<<>444< >>>>XXXX<<<< >444< >>44<< 4-turns
summary SSS hHHHHhtTTTt SS eEEEEEEhHHHHHHHHHHhTTTTTt SSS tTTTTTTthHHHHhtBTeEEEEEEEEEeS SSeEEEEEEeTEEe summary
sequence DDTSSNHTLDSSPATFPLNSTLYADFSHDNGIISILFALGLYNGTKPLSTTTVENITQTDGFSSAWTVPFASRLYVEMMQCQAEQEPLVRVLVNDRVVPL sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand SSS TTS EEHHHHHHH HHHHTTTTGGGGT Kabs/Sand
chirality ++----+-+---++++++++++++---+++++ chirality
bends SSS SSS SSSSSSS SSSS S SSS bends
turns TTTT TTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33X3>X><<< 3-turns
bridge-2 bridge-2
bridge-1 GG bridge-1
sheets BB sheets
4-turns >>>>X<<44<< >444< 4-turns
summary SSS tTTt EEHHHHHHHhHHHHhTTgGGGGgt summary
sequence HGCPVDALGRCTRDSFVRGLSFARSGGDWAECFA sequence
410 420 430
Messages
chain break between 242( 248 ) and 243( 253 )