Secondary structure calculation program - copyright by David Keith Smith, 1989
1ecfA.pdb
1ECF TRANSFERASE (GLUTAMINE AMIDOTRANSFERASE) MOL_ID: 1; MOL_ID: 1;
Sequence length - 492
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 CYS C 0 0 999.9 160.9 179.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 12 75
2 A 2 GLY G E E AA - 72 0 -132.7 144.3 178.6 -164.6 999.9 167.6 72 -2.3 72 -2.2 0 0.0 0 0.0 15 76
3 A 3 ILE I E E AA + 71 0 -126.9 157.1 177.3 178.7 7.6 154.0 0 0.0 208 -1.8 0 0.0 0 0.0 16 78
4 A 4 A VAL V E E AAB - 70 207 -153.1 147.4 179.5 -175.3 3.8 169.9 70 -1.9 70 -2.8 0 0.0 0 0.0 16 83
5 A 5 GLY G E E AAB - 69 206 -144.4 134.2 178.2 -167.8 5.3 168.6 206 -2.2 206 -2.1 0 0.0 0 0.0 15 88
6 A 6 ILE I E E AAB - 68 205 -129.9 125.6 178.2 -169.9 9.9 174.0 68 -3.0 68 -2.2 0 0.0 8 -0.8 14 81
7 A 7 ALA A E E AAB + 67 204 -111.1 92.8 -177.5 163.8 36.7 158.1 204 -3.2 204 -2.5 0 0.0 0 0.0 15 64
8 A 8 GLY G e - 0 0 -105.8 -170.6 -179.8 -130.6 53.1 111.5 66 -2.6 0 0.0 6 -0.8 0 0.0 12 58
9 A 9 VAL V S S S+ 0 0 -122.0 5.4 178.3 35.1 94.9 75.7 0 0.0 0 0.0 0 0.0 0 0.0 9 42
10 A 10 MET M S S S- 0 0 -150.5 166.8 -179.1 -49.3 111.8 157.6 0 0.0 0 0.0 0 0.0 0 0.0 6 36
11 A 11 PRO P - 0 0 -46.1 134.0 -177.8 -171.8 44.7 98.9 0 0.0 0 0.0 0 0.0 0 0.0 10 44
12 A 12 VAL V h > T + 0 0 -108.3 -6.8 -178.2 98.6 56.0 61.6 65 -1.8 16 -2.7 0 0.0 0 0.0 14 58
13 A 13 ASN N H H > TS+ 0 0 -50.7 -50.5 -179.5 39.7 90.0 25.4 0 0.0 17 -2.1 0 0.0 0 0.0 13 53
14 A 14 GLN Q H H > TS+ 0 0 -67.7 -39.1 -179.9 52.5 116.1 29.6 0 0.0 18 -2.6 0 0.0 0 0.0 8 52
15 A 15 SER S H H > TS+ 0 0 -64.9 -40.0 179.3 46.5 110.2 27.6 0 0.0 19 -2.7 0 0.0 0 0.0 8 55
16 A 16 ILE I H H X TS+ 0 0 -68.0 -42.9 177.1 50.8 113.5 22.5 12 -2.7 20 -2.9 0 0.0 0 0.0 15 73
17 A 17 TYR Y H H X TS+ 0 0 -57.4 -46.8 -179.5 45.7 113.0 25.7 13 -2.1 21 -1.6 0 0.0 0 0.0 11 64
18 A 18 ASP D H H X TS+ 0 0 -64.9 -44.4 179.3 51.0 111.5 26.7 14 -2.6 22 -1.2 0 0.0 0 0.0 11 51
19 A 19 ALA A H H X > TS+ 0 0 -61.7 -44.0 178.7 50.6 110.1 21.6 15 -2.7 22 -0.6 0 0.0 23 -0.6 13 63
20 A 20 LEU L H H < > TS+ 0 0 -64.4 -31.7 179.2 60.1 102.5 33.5 16 -2.9 23 -0.7 0 0.0 0 0.0 16 67
21 A 21 THR T H H < > TS+ 0 0 -67.1 -30.7 177.2 45.8 107.1 34.8 17 -1.6 24 -0.5 0 0.0 0 0.0 9 51
22 A 22 VAL V H H < < TS+ 0 0 -87.3 -3.2 176.0 48.0 114.6 60.0 18 -1.2 0 0.0 19 -0.6 0 0.0 10 46
23 A 23 LEU L G h < X TS+ 0 0 -110.8 12.6 -176.3 110.9 80.1 76.6 20 -0.7 26 -2.2 19 -0.6 0 0.0 14 61
24 A 24 GLN Q G G X T + 0 0 -59.9 -28.8 179.6 66.9 63.8 39.2 21 -0.5 27 -1.8 0 0.0 0 0.0 12 50
25 A 25 HIS H G G 3 TS+ 0 0 -67.1 -11.5 -178.5 69.8 88.7 48.7 0 0.0 0 0.0 0 0.0 0 0.0 9 49
26 A 26 ARG R G G < TS- 0 0 -83.8 -7.4 179.4 -13.2 121.7 54.1 23 -2.2 0 0.0 0 0.0 0 0.0 12 57
27 A 27 GLY G g < T - 0 0 169.2 123.1 -179.1 -178.4 48.8 121.5 24 -1.8 0 0.0 0 0.0 0 0.0 13 55
28 A 28 GLN Q + 0 0 -111.9 2.4 -177.3 86.1 68.1 68.5 0 0.0 0 0.0 0 0.0 0 0.0 13 46
29 A 29 ASP D S e S- 0 0 -73.6 -37.2 -177.0 -12.6 102.2 31.9 73 -1.9 49 -2.4 0 0.0 0 0.0 12 46
30 A 30 ALA A E E ACD - 73 48 -159.3 162.5 179.8 -156.2 55.6 166.8 73 -0.8 73 -2.6 0 0.0 0 0.0 17 51
31 A 31 ALA A E E ACD - 72 47 -145.6 151.8 179.4 -172.2 7.9 167.3 47 -2.3 47 -2.1 0 0.0 0 0.0 18 64
32 A 32 GLY G E E ACD - 71 46 -148.8 140.6 178.1 -172.6 6.0 173.1 71 -2.1 71 -2.3 0 0.0 0 0.0 15 71
33 A 33 ILE I E E ACD - 70 45 -133.2 134.4 179.0 -179.5 6.6 177.4 45 -2.7 45 -2.0 0 0.0 0 0.0 16 75
34 A 34 ILE I E E ACD - 69 44 -135.4 134.3 179.5 -178.3 4.0 176.1 69 -2.5 69 -2.5 0 0.0 0 0.0 14 69
35 A 35 THR T E E ACD - 68 43 -124.7 166.6 176.0 -123.5 28.0 148.4 43 -2.3 43 -1.8 0 0.0 37 -0.6 16 65
36 A 36 ILE I E E ACD - 67 42 -109.6 122.9 -178.6 -146.5 36.6 165.0 67 -1.9 67 -0.6 0 0.0 0 0.0 15 58
37 A 37 ASP D e > T - 0 0 -85.4 -179.1 -179.1 -90.1 30.9 103.1 41 -3.2 40 -2.3 35 -0.6 0 0.0 13 43
38 A 38 ALA A T T 3 TS+ 0 0 -60.4 -20.1 178.6 55.4 127.6 46.4 0 0.0 0 0.0 0 0.0 0 0.0 7 30
39 A 39 ASN N T T 3 TS- 0 0 -96.1 8.8 -179.1 -109.5 119.3 78.7 0 0.0 0 0.0 0 0.0 0 0.0 5 25
40 A 40 ASN N S t < TS+ 0 0 60.6 45.2 177.8 126.1 79.2 18.7 37 -2.3 0 0.0 0 0.0 0 0.0 8 33
41 A 41 CYS C e - 0 0 -129.6 149.8 177.6 -112.9 62.7 165.1 0 0.0 37 -3.2 0 0.0 0 0.0 8 36
42 A 42 PHE F E E AD - 36 0 -83.7 144.7 174.9 -163.5 22.3 131.1 0 0.0 0 0.0 0 0.0 0 0.0 8 52
43 A 43 ARG R E E AD - 35 0 -125.2 126.3 -176.9 -174.1 19.3 175.0 35 -1.8 35 -2.3 0 0.0 0 0.0 11 47
44 A 44 LEU L E E AD + 34 0 -133.3 142.8 173.0 175.0 25.3 163.5 0 0.0 0 0.0 0 0.0 0 0.0 10 58
45 A 45 ARG R E E AD + 33 0 -140.0 120.0 177.7 152.8 20.8 162.3 33 -2.0 33 -2.7 0 0.0 0 0.0 11 53
46 A 46 LYS K E E AD + 32 0 -148.2 141.8 -178.2 141.2 9.2 166.5 0 0.0 0 0.0 0 0.0 0 0.0 12 54
47 A 47 ALA A E E AD - 31 0 -169.7 168.5 177.9 -73.5 52.5 165.4 31 -2.1 31 -2.3 0 0.0 0 0.0 9 41
48 A 48 ASN N E E AD S+ 30 0 -72.0 149.8 178.9 56.8 85.0 112.7 0 0.0 0 0.0 0 0.0 0 0.0 10 38
49 A 49 GLY G S e S- 0 0 120.0 172.0 177.0 -45.4 91.3 119.1 29 -2.4 0 0.0 0 0.0 0 0.0 10 39
50 A 50 LEU L h > > T - 0 0 -70.1 158.8 178.1 -107.5 59.3 111.6 0 0.0 54 -2.0 0 0.0 53 -1.2 11 42
51 A 51 VAL V H H > 3 TS+ 0 0 -55.3 -43.8 -178.0 57.2 120.1 25.7 0 0.0 55 -2.0 0 0.0 0 0.0 14 50
52 A 52 SER S H H 4 3 TS+ 0 0 -66.3 -16.9 178.8 39.0 113.8 47.1 0 0.0 0 0.0 0 0.0 0 0.0 7 39
53 A 53 ASP D H H 4 < TS+ 0 0 -101.5 -26.2 -176.7 56.7 111.3 44.9 50 -1.2 0 0.0 0 0.0 0 0.0 7 29
54 A 54 VAL V H H < TS+ 0 0 -74.0 -40.0 -177.3 57.3 101.8 27.8 50 -2.0 56 -0.7 0 0.0 0 0.0 14 43
55 A 55 PHE F h < T + 0 0 -103.9 107.4 177.9 175.3 64.1 146.7 51 -2.0 0 0.0 0 0.0 0 0.0 10 44
56 A 56 GLU E h > > T - 0 0 -97.1 169.2 -177.8 -92.7 49.9 123.3 54 -0.7 60 -2.2 0 0.0 59 -0.9 8 28
57 A 57 ALA A H H > 3 TS+ 0 0 -53.5 -37.6 -179.0 55.3 124.5 30.7 0 0.0 61 -2.0 0 0.0 0 0.0 6 21
58 A 58 ARG R H H > 3 TS+ 0 0 -68.0 -32.0 177.6 46.8 108.2 34.7 0 0.0 62 -1.0 0 0.0 0 0.0 7 20
59 A 59 HIS H H H > < TS+ 0 0 -73.6 -41.0 -179.7 53.8 110.6 26.0 56 -0.9 63 -1.4 0 0.0 0 0.0 9 34
60 A 60 MET M H H < TS+ 0 0 -59.3 -38.0 178.3 55.2 104.2 26.3 56 -2.2 0 0.0 0 0.0 0 0.0 11 41
61 A 61 GLN Q H H < TS+ 0 0 -62.3 -35.4 -179.4 49.5 108.3 31.2 57 -2.0 0 0.0 0 0.0 0 0.0 7 30
62 A 62 ARG R H H < TS+ 0 0 -75.5 -27.4 -177.6 83.5 90.4 42.1 58 -1.0 64 -2.3 0 0.0 0 0.0 8 35
63 A 63 LEU L h < T + 0 0 -79.8 65.7 -178.5 163.3 66.2 109.8 59 -1.4 0 0.0 0 0.0 0 0.0 14 45
64 A 64 GLN Q + 0 0 -87.4 150.1 177.3 72.0 18.8 122.0 62 -2.3 0 0.0 0 0.0 0 0.0 14 39
65 A 65 GLY G S S S- 0 0 133.0 165.0 -179.4 -102.7 72.6 125.6 0 0.0 12 -1.8 0 0.0 0 0.0 13 47
66 A 66 ASN N S e S+ 0 0 -103.8 6.6 179.4 53.0 100.7 77.4 0 0.0 8 -2.6 0 0.0 0 0.0 14 55
67 A 67 MET M E E AAC + 7 36 -139.8 138.5 178.4 140.5 65.1 174.6 36 -0.6 36 -1.9 0 0.0 0 0.0 16 68
68 A 68 GLY G E E AAC - 6 35 -169.9 165.5 178.8 -139.4 32.1 171.9 6 -2.2 6 -3.0 0 0.0 0 0.0 16 78
69 A 69 ILE I E E AAC - 5 34 -132.2 156.9 179.0 -161.4 15.1 160.1 34 -2.5 34 -2.5 0 0.0 0 0.0 17 81
70 A 70 GLY G E E AAC - 4 33 -136.8 160.5 179.7 -168.0 3.5 160.0 4 -2.8 4 -1.9 0 0.0 0 0.0 16 87
71 A 71 HIS H E E AAC - 3 32 -148.0 140.2 172.7 -162.3 9.5 174.9 32 -2.3 32 -2.1 0 0.0 0 0.0 16 79
72 A 72 VAL V E E AAC - 2 31 -122.4 133.1 -177.3 -138.7 26.3 176.9 2 -2.2 2 -2.3 0 0.0 0 0.0 19 70
73 A 73 ARG R E E A C - 0 30 -101.2 139.5 174.0 -168.7 19.6 142.3 30 -2.6 29 -1.9 0 0.0 30 -0.8 14 67
74 A 74 TYR Y - 0 0 -115.0 116.2 -179.4 -110.1 43.9 168.1 0 0.0 0 0.0 0 0.0 0 0.0 11 59
75 A 75 PRO P + 0 0 -51.0 137.6 177.6 169.5 47.1 100.8 0 0.0 0 0.0 0 0.0 0 0.0 10 56
76 A 76 THR T B B A > T - 79 0 -140.5 173.0 -180.0 -64.0 46.6 149.1 79 -1.5 79 -1.7 0 0.0 0 0.0 9 59
77 A 77 ALA A T T 3 TS+ 0 0 -64.8 123.7 -178.8 15.6 126.6 119.1 0 0.0 0 0.0 0 0.0 0 0.0 11 55
78 A 78 GLY G T T 3 TS+ 0 0 99.1 -23.5 178.3 66.9 121.3 84.1 0 0.0 125 -0.5 0 0.0 0 0.0 10 59
79 A 79 SER S B B A < TS+ 76 0 -128.2 67.6 -179.2 174.8 74.2 128.9 76 -1.7 76 -1.5 0 0.0 0 0.0 15 62
80 A 80 SER S t > T - 0 0 -68.8 170.4 179.1 -99.8 48.2 102.6 0 0.0 83 -1.1 0 0.0 0 0.0 12 51
81 A 81 SER S T T 3 TS+ 0 0 -63.1 -25.5 -178.0 54.3 123.2 43.0 0 0.0 0 0.0 0 0.0 0 0.0 9 42
82 A 82 ALA A T T 3 TS+ 0 0 -85.4 -16.0 -177.3 90.7 94.8 46.4 0 0.0 0 0.0 0 0.0 0 0.0 9 37
83 A 83 SER S S t < TS- 0 0 -83.4 162.7 -179.4 -75.6 93.4 108.1 80 -1.1 0 0.0 0 0.0 0 0.0 7 44
84 A 84 GLU E - 0 0 -58.9 129.2 -178.9 -137.1 52.4 107.0 0 0.0 0 0.0 0 0.0 0 0.0 6 47
85 A 85 ALA A - 0 0 -78.5 176.9 178.1 -59.0 33.0 100.5 0 0.0 0 0.0 0 0.0 0 0.0 13 58
86 A 86 GLN Q S S S+ 0 0 -101.9 164.4 -0.9 66.8 90.8 129.7 0 0.0 0 0.0 0 0.0 0 0.0 14 73
87 A 87 PRO P - 0 0 -71.7 150.0 177.7 -159.1 69.2 61.4 0 0.0 0 0.0 0 0.0 0 0.0 15 71
88 A 88 A PHE F E E BE - 98 0 -93.2 164.6 -178.9 -153.9 6.2 130.5 98 -1.8 98 -1.7 0 0.0 0 0.0 11 58
89 A 89 A TYR Y E E BE - 97 0 -143.9 148.4 175.1 -170.9 15.4 166.7 0 0.0 0 0.0 0 0.0 0 0.0 10 55
90 A 90 A VAL V E E BE - 96 0 -133.6 149.7 -177.5 -147.0 17.9 167.7 96 -2.1 96 -2.1 0 0.0 0 0.0 11 45
91 A 91 A ASN N + 0 0 -96.4 -6.2 179.2 94.5 65.1 57.9 0 0.0 0 0.0 0 0.0 0 0.0 7 35
92 A 92 A SER S S S S+ 0 0 -147.3 139.1 0.4 24.5 74.9 176.0 0 0.0 0 0.0 0 0.0 0 0.0 8 39
93 A 93 PRO P S S S- 0 0 -84.9 150.8 177.0 -42.4 137.0 50.2 0 0.0 95 -1.9 0 0.0 0 0.0 10 39
94 A 94 TYR Y S S S- 0 0 63.6 -32.9 -176.8 -68.0 104.0 91.8 0 0.0 0 0.0 0 0.0 0 0.0 8 41
95 A 95 GLY G e - 0 0 112.7 108.2 -177.2 -170.7 61.3 69.3 93 -1.9 174 -2.5 0 0.0 0 0.0 10 45
96 A 96 ILE I E E BEF - 90 173 -136.0 138.3 177.5 -175.2 9.9 174.5 90 -2.1 90 -2.1 0 0.0 0 0.0 15 60
97 A 97 THR T E E BEF - 89 172 -129.4 150.0 -177.6 -175.3 9.1 165.2 172 -2.0 172 -2.1 0 0.0 0 0.0 13 62
98 A 98 LEU L E E BEF - 88 171 -147.7 143.5 175.9 -163.6 14.3 175.2 88 -1.7 88 -1.8 0 0.0 0 0.0 14 79
99 A 99 ALA A E E B F - 0 170 -125.8 143.4 -175.6 -169.7 19.6 175.0 170 -2.9 170 -2.1 0 0.0 0 0.0 15 78
100 A 100 HIS H E E B F - 0 169 -141.1 141.9 172.7 -163.5 25.2 162.7 0 0.0 0 0.0 0 0.0 0 0.0 15 79
101 A 101 ASN N E E B F + 0 168 -117.2 114.4 179.9 42.4 69.1 174.9 168 -2.3 168 -1.6 0 0.0 0 0.0 12 78
102 A 102 GLY G E E B F S- 0 167 151.5 -157.3 178.6 -94.7 76.8 167.4 0 0.0 0 0.0 0 0.0 0 0.0 13 72
103 A 103 ASN N E E B F - 0 166 -163.2 138.4 178.8 -132.7 17.3 160.7 166 -2.0 166 -2.5 0 0.0 105 -0.7 12 71
104 A 104 LEU L E E B F> T - 0 165 -97.1 121.7 179.6 -158.1 9.2 147.5 0 0.0 107 -1.2 0 0.0 0 0.0 14 63
105 A 105 THR T T e 3 TS+ 0 0 -72.6 -14.3 177.6 44.0 93.6 51.0 164 -1.5 0 0.0 103 -0.7 0 0.0 11 60
106 A 106 ASN N T h > 3 TS+ 0 0 -119.1 33.4 -179.3 124.9 73.3 88.1 164 -0.9 110 -2.2 0 0.0 0 0.0 9 50
107 A 107 ALA A H H > < TS+ 0 0 -56.8 -47.6 -178.2 55.1 70.2 27.9 104 -1.2 111 -2.6 0 0.0 0 0.0 10 54
108 A 108 HIS H H H > TS+ 0 0 -56.9 -44.5 -179.5 45.0 110.7 24.3 0 0.0 112 -1.6 0 0.0 0 0.0 6 46
109 A 109 GLU E H H > TS+ 0 0 -66.7 -40.6 179.0 52.2 111.8 24.5 0 0.0 113 -2.5 0 0.0 0 0.0 7 39
110 A 110 LEU L H H X TS+ 0 0 -59.8 -41.6 179.9 53.5 107.3 22.9 106 -2.2 114 -2.9 0 0.0 0 0.0 12 43
111 A 111 ARG R H H X TS+ 0 0 -61.9 -37.4 178.7 48.9 109.0 26.7 107 -2.6 115 -2.0 0 0.0 0 0.0 10 39
112 A 112 LYS K H H X TS+ 0 0 -66.7 -48.3 180.0 46.5 113.1 19.5 108 -1.6 116 -3.1 0 0.0 0 0.0 8 31
113 A 113 A LYS K H H X >TS+ 0 0 -62.7 -39.1 179.5 53.9 110.0 29.7 109 -2.5 117 -2.9 0 0.0 118 -0.6 9 31
114 A 114 LEU L H H X 5TS+ 0 0 -62.7 -43.2 179.6 41.9 114.6 22.8 110 -2.9 120 -2.1 0 0.0 118 -1.3 13 38
115 A 115 PHE F H H X 5TS+ 0 0 -69.6 -52.0 -177.1 39.3 121.1 15.0 111 -2.0 119 -1.2 0 0.0 0 0.0 10 26
116 A 116 GLU E H H < 5TS+ 0 0 -70.3 -36.9 -179.8 29.2 127.8 29.8 112 -3.1 0 0.0 0 0.0 0 0.0 7 18
117 A 117 GLU E H H < 5TS+ 0 0 -94.9 -30.0 -177.1 20.0 137.0 44.5 113 -2.9 0 0.0 0 0.0 0 0.0 6 22
118 A 118 LYS K H H < T - 0 0 -77.7 129.2 -179.4 -146.9 58.1 125.8 0 0.0 130 -1.2 0 0.0 0 0.0 8 62
127 A 127 ASP D H H > TS+ 0 0 -70.3 -17.6 178.1 66.3 97.3 44.9 0 0.0 131 -2.6 0 0.0 0 0.0 11 68
128 A 128 SER S H H > TS+ 0 0 -70.5 -37.3 176.0 51.2 98.1 28.9 0 0.0 132 -2.6 0 0.0 0 0.0 12 74
129 A 129 GLU E H H > TS+ 0 0 -63.1 -40.8 178.0 48.1 112.2 26.2 0 0.0 133 -2.0 0 0.0 0 0.0 12 61
130 A 130 ILE I H H X TS+ 0 0 -64.7 -44.1 179.8 51.5 109.6 19.4 126 -1.2 134 -2.0 0 0.0 0 0.0 12 62
131 A 131 LEU L H H X TS+ 0 0 -57.9 -49.6 177.5 49.8 109.9 21.7 127 -2.6 135 -2.3 0 0.0 0 0.0 10 72
132 A 132 LEU L H H X TS+ 0 0 -56.1 -41.6 179.9 51.4 110.4 26.1 128 -2.6 136 -2.8 0 0.0 0 0.0 14 69
133 A 133 ASN N H H X TS+ 0 0 -68.5 -32.3 178.2 49.5 108.4 32.6 129 -2.0 137 -2.1 0 0.0 0 0.0 11 63
134 A 134 ILE I H H X TS+ 0 0 -68.5 -49.7 179.6 46.3 114.1 19.1 130 -2.0 138 -2.0 0 0.0 0 0.0 11 63
135 A 135 PHE F H H X TS+ 0 0 -56.9 -49.2 179.8 48.8 113.5 17.8 131 -2.3 139 -2.5 0 0.0 0 0.0 11 67
136 A 136 ALA A H H X TS+ 0 0 -57.6 -43.3 -178.5 53.6 109.2 24.2 132 -2.8 140 -1.5 0 0.0 0 0.0 12 59
137 A 137 SER S H H < TS+ 0 0 -61.7 -36.1 177.9 45.7 111.1 30.6 133 -2.1 0 0.0 0 0.0 0 0.0 10 51
138 A 138 GLU E H H < > TS+ 0 0 -76.0 -35.8 177.6 54.0 109.4 32.6 134 -2.0 141 -1.2 0 0.0 0 0.0 11 45
139 A 139 LEU L H H < > TS+ 0 0 -69.4 -20.8 -178.6 70.6 96.9 40.6 135 -2.5 142 -0.9 0 0.0 0 0.0 11 52
140 A 140 ASP D T h < 3 TS+ 0 0 -79.5 10.4 -178.7 82.2 75.5 70.8 136 -1.5 0 0.0 0 0.0 0 0.0 8 39
141 A 141 ASN N T T < TS+ 0 0 -96.2 8.9 -178.5 98.2 72.6 67.6 138 -1.2 0 0.0 0 0.0 0 0.0 6 30
142 A 142 PHE F t < T + 0 0 -106.1 141.0 -177.7 179.9 42.5 138.0 139 -0.9 0 0.0 0 0.0 0 0.0 8 27
143 A 143 ARG R + 0 0 -101.1 -41.4 -179.7 76.3 63.0 38.1 0 0.0 0 0.0 0 0.0 0 0.0 4 18
144 A 144 HIS H S S S- 0 0 -73.2 155.5 180.0 -103.5 82.6 113.1 0 0.0 0 0.0 0 0.0 0 0.0 5 17
145 A 145 TYR Y S S S+ 0 0 -136.2 138.5 -0.1 23.2 87.2 177.6 0 0.0 0 0.0 0 0.0 0 0.0 5 22
146 A 146 PRO P S S S- 0 0 -86.6 179.3 177.5 -116.7 87.5 54.9 0 0.0 0 0.0 0 0.0 0 0.0 6 27
147 A 147 LEU L - 0 0 -73.4 145.7 177.6 -135.4 24.9 120.1 0 0.0 0 0.0 0 0.0 0 0.0 10 38
148 A 148 GLU E h > > T - 0 0 -92.3 165.0 178.7 -104.0 29.2 126.5 0 0.0 152 -1.7 0 0.0 151 -0.7 6 37
149 A 149 ALA A H H > 3 TS+ 0 0 -58.7 -35.1 178.7 60.8 122.4 26.9 0 0.0 153 -2.8 0 0.0 0 0.0 8 42
150 A 150 ASP D H H > 3 TS+ 0 0 -59.5 -39.2 -180.0 47.7 104.3 30.7 0 0.0 154 -2.0 0 0.0 0 0.0 7 36
151 A 151 ASN N H H > < TS+ 0 0 -70.4 -42.1 179.2 49.4 111.4 30.9 148 -0.7 155 -1.9 0 0.0 0 0.0 10 41
152 A 152 ILE I H H X TS+ 0 0 -63.0 -43.8 179.3 46.4 113.7 19.9 148 -1.7 156 -2.1 0 0.0 0 0.0 10 58
153 A 153 PHE F H H X TS+ 0 0 -66.8 -36.3 177.3 53.6 110.5 26.1 149 -2.8 157 -3.2 0 0.0 0 0.0 11 52
154 A 154 ALA A H H X TS+ 0 0 -63.7 -38.7 179.9 50.0 108.5 27.2 150 -2.0 158 -2.5 0 0.0 0 0.0 9 39
155 A 155 ALA A H H X TS+ 0 0 -67.8 -40.5 178.0 46.5 112.4 27.4 151 -1.9 159 -2.0 0 0.0 0 0.0 11 51
156 A 156 ILE I H H X TS+ 0 0 -67.0 -42.4 178.6 51.5 111.7 21.7 152 -2.1 160 -2.9 0 0.0 0 0.0 12 60
157 A 157 ALA A H H X TS+ 0 0 -59.3 -40.5 -179.9 46.5 112.1 20.4 153 -3.2 161 -1.2 0 0.0 0 0.0 10 48
158 A 158 ALA A H H X TS+ 0 0 -68.9 -38.1 178.3 52.5 110.9 27.9 154 -2.5 162 -0.9 0 0.0 0 0.0 9 39
159 A 159 THR T H H X > TS+ 0 0 -61.6 -44.3 -180.0 54.9 105.7 20.0 155 -2.0 163 -2.5 0 0.0 162 -1.1 11 60
160 A 160 ASN N H H < 3 TS+ 0 0 -61.0 -27.6 179.0 53.2 105.5 40.7 156 -2.9 0 0.0 0 0.0 0 0.0 13 58
161 A 161 A ARG R H H < 3 TS+ 0 0 -80.2 -21.1 -178.6 42.4 114.2 44.8 157 -1.2 0 0.0 0 0.0 0 0.0 8 42
162 A 162 LEU L H H < < TS+ 0 0 -93.0 -41.0 -176.7 59.3 106.6 32.6 159 -1.1 0 0.0 158 -0.9 0 0.0 7 45
163 A 163 ILE I h < T - 0 0 -94.1 158.9 179.2 -164.6 60.2 125.2 159 -2.5 0 0.0 0 0.0 0 0.0 12 57
164 A 164 ARG R e + 0 0 -139.9 145.4 178.1 54.2 44.6 169.0 0 0.0 105 -1.5 0 0.0 106 -0.9 10 57
165 A 165 GLY G E E BF S- 104 0 138.0 -139.5 -178.8 -46.1 87.9 172.8 0 0.0 0 0.0 0 0.0 0 0.0 13 65
166 A 166 ALA A E E BF + 103 0 -134.6 145.0 -179.3 160.0 56.3 169.7 103 -2.5 103 -2.0 0 0.0 0 0.0 15 71
167 A 167 TYR Y E E BF - 102 0 -172.3 131.3 171.2 -170.7 29.8 155.6 0 0.0 183 -2.5 0 0.0 0 0.0 15 81
168 A 168 ALA A E E BFG - 101 182 -114.9 123.5 -176.1 -177.8 38.5 170.5 101 -1.6 101 -2.3 0 0.0 0 0.0 15 77
169 A 169 CYS C E E BFG - 100 181 -131.6 152.4 174.3 -171.2 24.7 159.8 181 -2.5 181 -1.8 0 0.0 0 0.0 12 82
170 A 170 VAL V E E BFG + 99 180 -139.8 137.2 -178.2 165.1 19.0 172.8 99 -2.1 99 -2.9 0 0.0 0 0.0 16 81
171 A 171 ALA A E E BFG - 98 179 -146.5 167.1 175.5 -143.3 24.7 163.1 179 -3.0 179 -2.7 0 0.0 0 0.0 13 77
172 A 172 MET M E E BFG - 97 178 -134.4 144.6 178.3 -159.0 5.2 172.8 97 -2.1 97 -2.0 0 0.0 0 0.0 13 75
173 A 173 ILE I E E >BFG> T - 96 177 -122.7 118.5 -179.2 -115.4 31.9 173.9 177 -2.6 176 -2.2 0 0.0 177 -1.8 12 68
174 A 174 A ILE I T e 4 3 TS+ 0 0 -57.2 137.3 -179.3 16.1 100.1 105.2 95 -2.5 0 0.0 0 0.0 0 0.0 11 50
175 A 175 GLY G T T 4 3 TS+ 0 0 78.1 2.2 -178.9 56.0 129.0 61.5 0 0.0 0 0.0 0 0.0 0 0.0 8 43
176 A 176 HIS H T e 4 < TS- 0 0 -126.6 -64.7 179.9 -119.5 92.2 50.9 173 -2.2 234 -1.9 0 0.0 0 0.0 10 54
177 A 177 GLY G E E T - 0 0 -56.2 157.3 -179.5 -105.6 41.6 97.3 167 -2.5 186 -1.8 0 0.0 227 -1.6 15 68
184 A 184 PRO P T T 3 TS+ 0 0 -66.5 -5.4 176.0 51.9 118.9 55.1 0 0.0 248 -2.4 0 0.0 0 0.0 15 55
185 A 185 ASN N T T 3 TS- 0 0 -109.0 4.0 179.6 -127.0 103.6 71.6 0 0.0 250 -2.9 0 0.0 0 0.0 12 57
186 A 186 GLY G t < T + 0 0 54.4 37.6 -178.0 143.4 60.8 34.8 183 -1.8 0 0.0 0 0.0 0 0.0 16 63
187 A 187 ILE I + 0 0 -74.3 -54.4 -179.9 53.9 52.2 19.9 0 0.0 252 -2.0 0 0.0 0 0.0 16 66
188 A 188 ARG R S S S- 0 0 -86.1 141.0 -178.2 -106.7 93.8 131.9 0 0.0 0 0.0 0 0.0 0 0.0 16 72
189 A 189 PRO P + 0 0 -72.6 143.7 -179.9 159.0 44.0 110.5 0 0.0 0 0.0 0 0.0 0 0.0 13 79
190 A 190 LEU L e - 0 0 -165.9 116.2 178.2 -176.0 11.2 142.2 0 0.0 224 -2.8 0 0.0 0 0.0 13 76
191 A 191 VAL V E E AIJ - 207 223 -114.3 160.4 179.1 -139.0 15.8 145.9 207 -2.5 207 -1.5 0 0.0 0 0.0 15 67
192 A 192 LEU L E E AIJ + 206 222 -119.3 139.4 177.7 170.1 24.4 157.6 222 -3.4 221 -2.8 0 0.0 222 -1.4 13 63
193 A 193 GLY G E E AIJ - 205 220 -139.1 170.9 178.6 -151.8 14.1 151.5 205 -2.7 205 -2.1 0 0.0 0 0.0 13 58
194 A 194 LYS K E E AIJ - 204 219 -143.9 159.3 178.1 -153.9 5.8 166.8 219 -2.3 219 -3.5 0 0.0 0 0.0 12 52
195 A 195 ARG R E E AI - 203 0 -140.5 114.7 179.7 -143.9 15.4 162.7 203 -2.4 203 -3.2 0 0.0 197 -0.6 10 43
196 A 196 ASP D E E AI + 202 0 -78.4 118.9 -179.3 176.0 20.0 135.2 0 0.0 0 0.0 0 0.0 0 0.0 8 29
197 A 197 ILE I e - 0 0 -91.1 -42.3 176.0 -33.3 65.5 33.3 201 -2.8 0 0.0 195 -0.6 0 0.0 8 25
198 A 198 ASP D S S S- 0 0 -158.8 -170.5 -179.1 -62.4 83.5 154.3 201 -1.6 0 0.0 0 0.0 0 0.0 6 15
199 A 199 GLU E S S S+ 0 0 -54.2 -35.0 -178.8 25.9 133.5 43.7 0 0.0 0 0.0 0 0.0 0 0.0 5 11
200 A 200 ASN N S S S+ 0 0 -112.3 -3.7 -178.2 75.3 110.0 61.1 0 0.0 202 -0.5 0 0.0 0 0.0 5 17
201 A 201 ARG R e + 0 0 -121.1 125.7 178.6 167.2 45.7 159.5 0 0.0 197 -2.8 0 0.0 198 -1.6 9 27
202 A 202 THR T E E A I - 0 196 -134.3 125.5 177.7 -152.7 18.6 174.8 200 -0.5 0 0.0 0 0.0 0 0.0 12 37
203 A 203 GLU E E E A I - 0 195 -92.7 151.9 178.7 -153.8 11.9 130.6 195 -3.2 195 -2.4 0 0.0 0 0.0 13 52
204 A 204 TYR Y E E ABI - 7 194 -126.2 151.8 176.0 -179.9 12.3 158.9 7 -2.5 7 -3.2 0 0.0 0 0.0 13 64
205 A 205 MET M E E ABI - 6 193 -149.6 152.5 177.5 -161.7 12.8 174.6 193 -2.1 193 -2.7 0 0.0 0 0.0 13 81
206 A 206 VAL V E E ABI + 5 192 -129.8 144.1 179.1 169.5 19.1 167.0 5 -2.1 5 -2.2 0 0.0 0 0.0 14 82
207 A 207 ALA A E E ABI - 4 191 -151.2 158.7 177.7 -114.0 46.3 170.2 191 -1.5 191 -2.5 0 0.0 0 0.0 14 83
208 A 208 SER S S e S+ 0 0 -60.2 -38.7 -178.7 25.9 105.4 25.4 3 -1.8 0 0.0 0 0.0 0 0.0 14 79
209 A 209 GLU E S t > TS- 0 0 -132.8 147.4 -179.7 -125.8 76.1 164.9 0 0.0 212 -1.7 0 0.0 0 0.0 15 74
210 A 210 SER S T h > > TS+ 0 0 -59.8 -22.5 179.2 77.4 100.9 49.5 0 0.0 214 -2.4 0 0.0 213 -0.7 12 60
211 A 211 A VAL V H H > 3 TS+ 0 0 -60.6 -28.1 178.6 59.1 89.0 34.4 0 0.0 215 -2.4 0 0.0 0 0.0 11 54
212 A 212 ALA A H H > < TS+ 0 0 -68.5 -34.0 177.4 45.5 107.2 31.7 209 -1.7 216 -0.7 0 0.0 0 0.0 15 57
213 A 213 LEU L H H > <>TS+ 0 0 -72.3 -41.7 -178.8 52.2 112.9 23.4 210 -0.7 218 -2.8 0 0.0 217 -0.6 16 54
214 A 214 ASP D H H < >5TS+ 0 0 -59.9 -50.0 -176.0 52.8 105.0 26.3 210 -2.4 217 -1.1 0 0.0 0 0.0 10 41
215 A 215 THR T H H < 35TS+ 0 0 -61.8 -24.0 -178.8 44.1 113.7 39.0 211 -2.4 0 0.0 0 0.0 0 0.0 10 38
216 A 216 LEU L H H < 35TS- 0 0 -100.8 -1.7 -179.6 -110.7 114.7 62.7 212 -0.7 0 0.0 0 0.0 0 0.0 9 44
217 A 217 GLY G T h < <5T + 0 0 78.9 23.7 177.4 150.4 65.3 40.5 214 -1.1 0 0.0 213 -0.6 0 0.0 7 33
218 A 218 PHE F t T - 0 0 -69.7 155.2 178.9 -84.8 35.2 104.4 0 0.0 228 -2.0 0 0.0 0 0.0 9 54
226 A 226 PRO P T T 3 TS+ 0 0 -56.4 132.9 179.3 9.0 119.4 113.5 0 0.0 0 0.0 0 0.0 0 0.0 13 57
227 A 227 GLY G T e 3 TS+ 0 0 78.4 -10.5 -178.4 131.4 102.7 70.9 183 -1.6 243 -2.6 182 -0.6 0 0.0 17 53
228 A 228 GLU E E E B K< T - 0 242 -79.0 151.1 175.2 -158.5 40.8 113.2 225 -2.0 182 -1.6 0 0.0 0 0.0 15 58
229 A 229 ALA A E E BHK - 181 241 -126.0 148.2 179.5 -158.3 0.7 162.7 241 -2.7 241 -2.3 0 0.0 0 0.0 15 63
230 A 230 ILE I E E BHK - 180 240 -123.8 136.8 178.6 -170.6 7.0 166.7 180 -2.7 180 -2.2 0 0.0 0 0.0 13 61
231 A 231 TYR Y E E BHK - 179 239 -133.4 124.2 179.1 -174.6 3.7 172.3 239 -3.0 239 -2.9 0 0.0 0 0.0 12 62
232 A 232 ILE I E E BHK - 178 238 -118.2 122.6 -178.8 -136.8 21.5 169.3 178 -2.5 178 -2.4 0 0.0 0 0.0 14 54
233 A 233 THR T E E BH > T - 177 0 -76.6 167.7 178.4 -106.0 26.9 111.3 237 -2.3 236 -2.7 0 0.0 0 0.0 10 46
234 A 234 GLU E T e 3 TS+ 0 0 -52.0 -28.5 -177.8 58.0 124.3 36.9 176 -1.9 0 0.0 0 0.0 0 0.0 11 50
235 A 235 A GLU E T T 3 TS- 0 0 -85.6 -4.5 -179.7 -104.6 122.9 45.3 0 0.0 0 0.0 0 0.0 0 0.0 5 37
236 A 236 GLY G t < T + 0 0 84.3 20.3 178.1 145.3 69.7 45.7 233 -2.7 238 -0.5 0 0.0 0 0.0 12 41
237 A 237 GLN Q e - 0 0 -93.5 127.4 179.9 -145.4 38.2 146.0 0 0.0 233 -2.3 0 0.0 0 0.0 7 36
238 A 238 LEU L E E BK + 232 0 -94.6 129.2 176.0 174.5 20.7 140.4 236 -0.5 0 0.0 0 0.0 0 0.0 8 47
239 A 239 PHE F E E BK - 231 0 -127.1 151.6 176.2 -170.9 6.5 163.5 231 -2.9 231 -3.0 0 0.0 0 0.0 8 42
240 A 240 THR T E E BK + 230 0 -138.7 150.8 -179.5 173.8 6.9 165.5 0 0.0 0 0.0 0 0.0 0 0.0 8 45
241 A 241 ARG R E E BK - 229 0 -160.1 140.3 176.9 -118.5 35.8 163.5 229 -2.3 229 -2.7 0 0.0 243 -0.5 8 41
242 A 242 GLN Q E E BK + 228 0 -78.4 121.0 -176.9 178.7 33.8 136.0 0 0.0 0 0.0 0 0.0 0 0.0 8 41
243 A 243 CYS C e + 0 0 -117.0 23.6 179.7 66.3 50.1 81.2 227 -2.6 0 0.0 241 -0.5 0 0.0 12 46
244 A 244 ALA A S S S- 0 0 -140.6 156.0 177.7 -116.3 76.0 161.7 0 0.0 0 0.0 0 0.0 0 0.0 11 42
245 A 245 ASP D S S S+ 0 0 -90.9 144.2 177.5 1.6 94.4 133.8 0 0.0 0 0.0 0 0.0 0 0.0 6 31
246 A 246 ASN N S S S- 0 0 48.6 52.5 179.7 -166.6 84.5 27.8 0 0.0 0 0.0 0 0.0 0 0.0 5 24
247 A 247 PRO P + 0 0 -68.4 150.9 178.9 177.0 10.3 115.8 0 0.0 0 0.0 0 0.0 0 0.0 10 40
248 A 248 VAL V - 0 0 -152.5 153.2 179.9 -111.3 33.2 169.5 184 -2.4 250 -0.8 0 0.0 0 0.0 9 38
249 A 249 A SER S + 0 0 -93.2 108.3 179.1 153.1 43.0 142.7 0 0.0 455 -0.6 0 0.0 0 0.0 14 50
250 A 250 ASN N - 0 0 -125.9 64.3 -179.5 -165.4 28.3 127.1 185 -2.9 0 0.0 248 -0.8 0 0.0 12 54
251 A 251 PRO P - 0 0 -57.4 144.7 177.5 -98.0 32.8 104.2 0 0.0 457 -2.4 0 0.0 0 0.0 13 71
252 A 252 CYS C B h > b > T - 457 0 -60.6 118.4 -178.6 -157.1 30.2 119.6 187 -2.0 255 -0.7 0 0.0 256 -0.6 11 74
253 A 253 LEU L H H > > TS+ 0 0 -71.2 -28.1 179.0 67.6 87.4 33.7 457 -2.0 257 -1.1 0 0.0 256 -0.7 11 75
254 A 254 PHE F H H > 3>TS+ 0 0 -63.6 -29.3 177.0 65.3 87.1 39.7 0 0.0 258 -1.6 0 0.0 259 -1.3 8 71
255 A 255 GLU E H H 4 <>TS+ 0 0 -58.7 -43.4 -179.2 49.5 103.1 26.1 252 -0.7 260 -2.4 0 0.0 0 0.0 8 70
256 A 256 TYR Y H H < <5TS+ 0 0 -65.8 -35.6 -178.6 59.1 104.3 30.2 253 -0.7 0 0.0 252 -0.6 0 0.0 12 68
257 A 257 VAL V H H < 5TS- 0 0 -63.0 -56.3 177.0 -43.4 136.2 16.6 253 -1.1 0 0.0 0 0.0 0 0.0 12 74
258 A 258 TYR Y T h < 5TS+ 0 0 -151.3 -12.3 -175.5 83.9 116.1 57.8 254 -1.6 0 0.0 0 0.0 0 0.0 9 61
259 A 259 PHE F T T T - 0 0 -76.4 147.8 -179.1 -125.4 29.9 122.0 0 0.0 264 -1.4 0 0.0 0 0.0 11 51
262 A 262 PRO P T T 3 TS+ 0 0 -65.8 -23.5 -178.0 59.5 107.0 38.5 0 0.0 272 -2.2 0 0.0 0 0.0 9 48
263 A 263 ASP D T T 3 TS+ 0 0 -87.5 3.1 177.0 98.9 86.2 65.8 0 0.0 0 0.0 0 0.0 0 0.0 8 39
264 A 264 SER S e < T - 0 0 -87.4 156.7 177.4 -145.3 63.5 123.6 261 -1.4 271 -2.3 0 0.0 266 -0.5 12 55
265 A 265 PHE F E E CL - 270 0 -121.9 108.1 -177.3 -174.2 19.8 167.9 0 0.0 267 -0.5 0 0.0 0 0.0 10 52
266 A 266 ILE I E E CL > TS- 269 0 -112.7 121.0 -176.4 -13.5 71.6 160.3 269 -2.1 269 -1.4 264 -0.5 0 0.0 13 64
267 A 267 ASP D T T 3 TS- 0 0 49.5 51.9 178.1 -54.1 130.3 25.6 265 -0.5 0 0.0 0 0.0 0 0.0 8 63
268 A 268 LYS K T T 3 TS+ 0 0 63.8 13.9 -178.7 118.2 113.9 64.2 0 0.0 0 0.0 0 0.0 0 0.0 8 49
269 A 269 ILE I E E CL < T - 266 0 -114.4 125.7 176.8 -131.8 63.9 154.5 266 -1.4 266 -2.1 0 0.0 0 0.0 12 52
270 A 270 SER S E E >CL T - 265 0 -71.9 121.1 -179.3 -150.6 11.9 126.7 0 0.0 274 -2.6 0 0.0 0 0.0 12 47
271 A 271 VAL V H H > TS+ 0 0 -60.8 -41.1 177.9 51.8 97.1 24.3 264 -2.3 275 -2.3 0 0.0 0 0.0 14 49
272 A 272 TYR Y H H > TS+ 0 0 -60.1 -49.6 -179.7 45.8 110.9 20.5 262 -2.2 276 -2.2 0 0.0 0 0.0 10 48
273 A 273 SER S H H > TS+ 0 0 -64.8 -33.7 178.8 53.4 110.8 26.7 0 0.0 277 -2.3 0 0.0 0 0.0 10 46
274 A 274 ALA A H H X TS+ 0 0 -66.9 -38.6 179.3 50.5 108.8 24.7 270 -2.6 278 -1.5 0 0.0 0 0.0 14 59
275 A 275 ARG R H H X TS+ 0 0 -66.6 -37.1 177.8 50.2 108.4 28.9 271 -2.3 279 -1.8 0 0.0 0 0.0 15 60
276 A 276 VAL V H H X TS+ 0 0 -64.2 -42.5 179.0 52.9 109.8 17.9 272 -2.2 280 -2.2 0 0.0 0 0.0 11 52
277 A 277 ASN N H H X TS+ 0 0 -59.6 -35.2 178.6 56.0 104.1 36.6 273 -2.3 281 -2.4 0 0.0 0 0.0 11 52
278 A 278 MET M H H X TS+ 0 0 -64.6 -43.0 177.5 48.6 107.4 23.3 274 -1.5 282 -2.8 0 0.0 0 0.0 15 62
279 A 279 GLY G H H X TS+ 0 0 -63.2 -38.6 178.9 53.2 109.6 28.8 275 -1.8 283 -2.6 0 0.0 0 0.0 15 67
280 A 280 THR T H H X TS+ 0 0 -60.7 -50.3 179.0 42.8 112.9 17.3 276 -2.2 284 -2.4 0 0.0 0 0.0 12 52
281 A 281 LYS K H H X TS+ 0 0 -61.5 -45.6 -178.7 47.4 116.3 24.9 277 -2.4 285 -2.3 0 0.0 0 0.0 12 51
282 A 282 LEU L H H X TS+ 0 0 -66.3 -38.7 178.0 51.5 111.1 27.9 278 -2.8 286 -2.5 0 0.0 0 0.0 13 60
283 A 283 GLY G H H X TS+ 0 0 -61.8 -46.7 177.6 49.0 110.4 23.2 279 -2.6 287 -3.0 0 0.0 0 0.0 13 58
284 A 284 GLU E H H X TS+ 0 0 -59.8 -42.6 177.8 48.9 112.0 24.4 280 -2.4 288 -1.2 0 0.0 0 0.0 11 40
285 A 285 LYS K H H X TS+ 0 0 -63.7 -44.6 179.0 46.0 113.7 25.0 281 -2.3 289 -3.0 0 0.0 0 0.0 9 45
286 A 286 ILE I H H X TS+ 0 0 -65.3 -44.0 178.1 53.9 109.4 22.4 282 -2.5 290 -2.7 0 0.0 0 0.0 10 50
287 A 287 ALA A H H < TS+ 0 0 -60.4 -25.4 -179.0 40.7 116.7 38.7 283 -3.0 0 0.0 0 0.0 0 0.0 10 37
288 A 288 ARG R H H < > TS+ 0 0 -89.0 -49.3 -177.9 32.7 124.2 23.3 284 -1.2 291 -0.6 0 0.0 0 0.0 7 27
289 A 289 GLU E H H < 3 TS+ 0 0 -82.8 -25.1 -177.9 39.5 126.0 41.1 285 -3.0 0 0.0 0 0.0 0 0.0 6 28
290 A 290 TRP W T h < > TS+ 0 0 -115.0 31.1 -178.6 134.0 72.6 91.6 286 -2.7 293 -1.9 0 0.0 0 0.0 7 38
291 A 291 A GLU E T T < TS+ 0 0 -48.6 -44.5 -179.0 44.1 74.4 32.1 288 -0.6 0 0.0 0 0.0 0 0.0 7 24
292 A 292 ASP D T T 3 TS+ 0 0 -83.8 -2.7 -176.9 112.8 87.8 61.1 0 0.0 0 0.0 0 0.0 0 0.0 4 21
293 A 293 LEU L t < T - 0 0 -74.2 149.1 177.2 -127.9 66.6 113.8 290 -1.9 295 -0.7 0 0.0 0 0.0 5 33
294 A 294 ASP D + 0 0 -93.8 115.0 178.9 169.7 37.0 148.8 0 0.0 0 0.0 0 0.0 0 0.0 5 31
295 A 295 A ILE I - 0 0 -129.6 125.4 -178.0 -177.1 16.4 174.2 293 -0.7 0 0.0 0 0.0 0 0.0 10 49
296 A 296 ASP D + 0 0 -92.5 -28.0 -176.4 2.1 66.6 38.8 361 -2.7 0 0.0 0 0.0 0 0.0 10 44
297 A 297 VAL V E E Dm - 362 0 -161.1 151.9 178.3 -130.3 57.7 172.3 361 -1.0 363 -2.5 0 0.0 299 -0.5 13 51
298 A 298 VAL V E E Dmc - 363 320 -108.8 123.5 -178.6 -173.4 27.2 163.0 319 -2.4 321 -2.1 0 0.0 0 0.0 17 64
299 A 299 ILE I E E Dm - 364 0 -122.4 116.6 179.4 -142.6 13.8 166.0 363 -2.8 365 -2.0 297 -0.5 0 0.0 14 64
300 A 300 PRO P E E Dm - 365 0 -76.7 152.0 174.2 -130.6 12.7 118.5 0 0.0 0 0.0 0 0.0 0 0.0 17 62
301 A 301 ILE I e > T - 0 0 -98.5 110.5 -178.7 -74.8 59.9 158.8 365 -2.8 305 -0.8 0 0.0 0 0.0 12 63
302 A 302 PRO P T T 4 TS+ 0 0 -55.0 150.8 1.8 0.7 86.0 102.3 0 0.0 0 0.0 0 0.0 0 0.0 10 51
303 A 303 GLU E T T 4 > TS+ 0 0 -115.6 -24.3 -179.3 29.6 118.6 161.7 0 0.0 306 -1.1 0 0.0 0 0.0 7 46
304 A 304 A THR T T T 4 > TS+ 0 0 -59.6 -34.7 179.9 57.3 117.9 29.9 0 0.0 307 -0.5 0 0.0 0 0.0 10 51
305 A 305 SER S T h X 3 TS+ 0 0 -74.0 -12.3 -178.4 91.6 76.0 54.4 301 -0.8 309 -3.7 0 0.0 0 0.0 13 59
306 A 306 CYS C H H > < TS+ 0 0 -52.8 -44.7 179.0 37.1 96.3 25.4 303 -1.1 310 -1.6 0 0.0 0 0.0 10 51
307 A 307 ASP D H H > < TS+ 0 0 -75.2 -36.4 179.6 52.2 116.3 33.7 304 -0.5 311 -2.0 0 0.0 0 0.0 10 49
308 A 308 ILE I H H > TS+ 0 0 -62.4 -45.9 -179.5 46.1 113.0 18.9 0 0.0 312 -2.0 0 0.0 0 0.0 17 60
309 A 309 ALA A H H X TS+ 0 0 -66.6 -33.2 -179.9 57.9 107.4 33.5 305 -3.7 313 -2.7 0 0.0 0 0.0 14 63
310 A 310 LEU L H H X TS+ 0 0 -63.5 -44.0 179.5 45.9 108.3 20.2 306 -1.6 314 -2.2 0 0.0 0 0.0 12 50
311 A 311 GLU E H H X TS+ 0 0 -65.6 -38.9 177.8 52.6 111.2 28.3 307 -2.0 315 -2.8 0 0.0 0 0.0 12 49
312 A 312 ILE I H H X TS+ 0 0 -60.4 -51.2 179.9 48.3 109.6 15.8 308 -2.0 316 -3.3 0 0.0 0 0.0 14 60
313 A 313 ALA A H H X >TS+ 0 0 -57.1 -39.5 179.7 50.7 112.5 27.4 309 -2.7 318 -2.2 0 0.0 317 -1.0 14 52
314 A 314 ARG R H H < >5TS+ 0 0 -63.8 -50.9 179.8 45.4 111.5 17.4 310 -2.2 317 -0.9 0 0.0 0 0.0 9 36
315 A 315 ILE I H H < 35TS+ 0 0 -59.1 -42.6 -179.7 45.3 117.9 23.0 311 -2.8 0 0.0 0 0.0 0 0.0 10 36
316 A 316 LEU L H H < 35TS- 0 0 -79.5 -8.5 -177.8 -127.1 104.6 56.3 312 -3.3 0 0.0 0 0.0 0 0.0 9 40
317 A 317 GLY G T h < <5T + 0 0 62.1 37.7 178.8 128.9 67.7 21.8 313 -1.0 0 0.0 314 -0.9 0 0.0 6 33
318 A 318 LYS K t > TS+ 0 0 -95.4 -15.8 178.4 76.2 96.5 57.4 0 0.0 350 -2.2 0 0.0 349 -0.6 9 37
347 A 347 ARG R T T 4 3 TS+ 0 0 -66.9 -21.7 177.2 59.9 88.4 39.2 0 0.0 0 0.0 0 0.0 0 0.0 6 38
348 A 348 ARG R T T 4 3 TS+ 0 0 -74.3 -28.2 -178.8 31.5 116.0 35.9 0 0.0 0 0.0 0 0.0 0 0.0 9 27
349 A 349 LYS K T e 4 < TS+ 0 0 -104.3 -11.9 -173.8 36.2 126.2 48.1 346 -0.6 327 -2.1 0 0.0 0 0.0 11 30
350 A 350 LEU L E E T - 0 0 -78.6 101.8 -177.0 -153.6 22.6 141.3 323 -3.2 356 -1.8 0 0.0 0 0.0 11 38
354 A 354 ARG R G G > > TS+ 0 0 -44.8 -53.2 -179.3 57.5 86.3 27.6 352 -1.2 357 -2.0 0 0.0 358 -1.3 9 31
355 A 355 ALA A G G 4 3 TS+ 0 0 -56.4 -22.1 -177.8 62.3 98.8 50.3 0 0.0 0 0.0 0 0.0 0 0.0 6 28
356 A 356 GLU E G G 4 < TS+ 0 0 -85.8 -8.1 -179.3 37.7 108.5 55.2 353 -1.8 0 0.0 0 0.0 0 0.0 8 39
357 A 357 PHE F T g 4 X TS+ 0 0 -110.9 -26.2 -175.6 126.4 80.5 48.2 354 -2.0 360 -1.8 0 0.0 0 0.0 15 42
358 A 358 ARG R T T < 3 TS- 0 0 -47.5 117.0 179.6 -18.4 90.9 96.7 354 -1.3 0 0.0 0 0.0 0 0.0 10 32
359 A 359 ASP D T T 3 TS+ 0 0 53.1 39.5 178.5 124.0 108.7 34.7 386 -2.6 0 0.0 0 0.0 0 0.0 7 27
360 A 360 LYS K t < T - 0 0 -127.7 153.7 176.1 -130.2 65.6 154.5 357 -1.8 388 -3.1 0 0.0 362 -0.7 12 39
361 A 361 ASN N e - 0 0 -96.8 114.2 -175.7 -161.0 42.4 160.3 0 0.0 296 -2.7 0 0.0 297 -1.0 14 46
362 A 362 VAL V E E Dmo - 297 390 -109.2 144.6 176.3 -151.4 22.0 144.9 389 -2.7 391 -2.8 360 -0.7 364 -0.6 15 61
363 A 363 LEU L E E Dmo - 298 391 -111.0 108.7 178.0 -161.5 19.5 164.7 297 -2.5 299 -2.8 0 0.0 0 0.0 13 75
364 A 364 LEU L E E Dmo - 299 392 -87.0 142.8 178.7 -153.7 2.3 136.4 391 -3.1 393 -2.3 362 -0.6 0 0.0 12 82
365 A 365 VAL V E E Dmo + 300 393 -122.8 124.4 176.7 175.1 15.9 169.2 299 -2.0 301 -2.8 0 0.0 0 0.0 15 73
366 A 366 ASP D E E D o - 0 394 -121.6 159.8 -178.6 -124.1 37.1 149.4 393 -2.6 395 -2.3 0 0.0 0 0.0 14 70
367 A 367 ASP D S S S- 0 0 -72.9 -32.9 -179.4 -28.9 83.2 31.2 0 0.0 396 -0.6 0 0.0 0 0.0 12 66
368 A 368 SER S - 0 0 -169.2 174.0 179.0 -121.3 52.6 167.2 0 0.0 0 0.0 0 0.0 0 0.0 11 61
369 A 369 ILE I + 0 0 -133.9 124.3 -178.0 155.9 33.7 174.4 0 0.0 399 -0.6 0 0.0 0 0.0 12 64
370 A 370 VAL V S S S+ 0 0 -111.5 -81.6 179.1 1.1 81.0 42.5 0 0.0 416 -1.7 0 0.0 417 -0.5 8 53
371 A 371 A ARG R S S S- 0 0 -83.3 -23.9 179.4 -135.4 86.6 46.6 0 0.0 0 0.0 0 0.0 0 0.0 8 43
372 A 372 GLY G S h > TS+ 0 0 85.0 -2.1 -178.6 115.5 72.5 69.5 0 0.0 376 -1.7 0 0.0 0 0.0 10 53
373 A 373 THR T H H > TS+ 0 0 -66.4 -49.2 -179.6 43.9 75.2 21.3 0 0.0 377 -1.7 0 0.0 0 0.0 7 38
374 A 374 THR T H H > TS+ 0 0 -64.2 -46.0 -179.5 52.7 111.5 21.2 0 0.0 378 -2.7 0 0.0 0 0.0 8 46
375 A 375 A SER S H H > TS+ 0 0 -57.2 -37.7 179.0 55.5 106.9 27.2 0 0.0 379 -2.6 0 0.0 0 0.0 9 61
376 A 376 GLU E H H X TS+ 0 0 -58.5 -50.3 -179.3 40.3 112.6 21.2 372 -1.7 380 -1.8 0 0.0 0 0.0 12 44
377 A 377 GLN Q H H X TS+ 0 0 -68.8 -35.7 179.9 54.8 113.1 30.9 373 -1.7 381 -2.2 0 0.0 0 0.0 9 42
378 A 378 ILE I H H X TS+ 0 0 -65.3 -42.7 179.1 49.5 107.6 24.0 374 -2.7 382 -2.1 0 0.0 0 0.0 9 63
379 A 379 ILE I H H X TS+ 0 0 -61.5 -42.2 178.3 51.8 110.3 21.5 375 -2.6 383 -2.0 0 0.0 0 0.0 12 58
380 A 380 GLU E H H X TS+ 0 0 -60.9 -41.8 179.1 51.4 108.2 27.4 376 -1.8 384 -2.9 0 0.0 0 0.0 9 45
381 A 381 MET M H H X TS+ 0 0 -64.3 -40.4 179.6 53.4 106.7 28.8 377 -2.2 385 -2.0 0 0.0 0 0.0 9 50
382 A 382 ALA A H H < >TS+ 0 0 -61.2 -38.6 179.0 46.9 111.3 25.3 378 -2.1 387 -2.3 0 0.0 0 0.0 12 55
383 A 383 ARG R H H < >5TS+ 0 0 -69.0 -44.3 178.9 53.1 108.8 20.7 379 -2.0 386 -2.3 0 0.0 0 0.0 11 40
384 A 384 GLU E H H < 35TS+ 0 0 -58.8 -36.1 179.1 57.2 104.7 27.8 380 -2.9 0 0.0 0 0.0 0 0.0 7 33
385 A 385 ALA A T h < 35TS- 0 0 -75.6 2.8 177.3 -94.6 131.7 67.1 381 -2.0 0 0.0 0 0.0 0 0.0 12 33
386 A 386 GLY G T T <5T + 0 0 98.6 12.9 179.1 158.0 67.8 50.3 383 -2.3 359 -2.6 0 0.0 0 0.0 11 30
387 A 387 ALA A t T - 0 0 -66.4 156.7 -178.7 -96.8 50.1 111.4 0 0.0 414 -2.4 0 0.0 0 0.0 10 46
412 A 412 ALA A G G > TS+ 0 0 -40.4 -44.5 -179.9 61.6 121.4 38.2 0 0.0 415 -1.7 0 0.0 0 0.0 9 42
413 A 413 THR T G G 3 TS+ 0 0 -55.8 -37.2 -177.9 50.2 102.7 35.9 0 0.0 0 0.0 0 0.0 0 0.0 7 31
414 A 414 GLU E G G < TS+ 0 0 -84.4 -3.0 179.1 97.2 85.6 62.5 411 -2.4 416 -0.8 0 0.0 0 0.0 8 34
415 A 415 LEU L g X T - 0 0 -87.7 113.5 -178.6 -149.1 68.2 143.5 412 -1.7 418 -2.0 0 0.0 0 0.0 14 43
416 A 416 ILE I T T 3 TS+ 0 0 -51.5 -37.5 -179.8 53.3 95.2 31.7 370 -1.7 0 0.0 414 -0.8 0 0.0 13 43
417 A 417 ALA A T T > TS+ 0 0 -74.3 -15.2 -179.7 112.5 80.2 51.0 370 -0.5 420 -1.9 399 -0.5 419 -0.5 12 46
418 A 418 HIS H T T < TS- 0 0 -64.1 114.5 179.2 -9.1 99.4 118.2 415 -2.0 0 0.0 0 0.0 0 0.0 11 37
419 A 419 GLY G T T 3 TS+ 0 0 71.7 23.5 -179.8 105.6 117.8 42.2 417 -0.5 0 0.0 0 0.0 0 0.0 6 28
420 A 420 ARG R t < T - 0 0 -136.3 149.0 179.1 -133.6 61.9 166.1 417 -1.9 0 0.0 0 0.0 0 0.0 8 31
421 A 421 GLU E h > T - 0 0 -94.2 168.5 -178.7 -98.4 37.0 124.3 0 0.0 425 -2.2 0 0.0 0 0.0 7 30
422 A 422 VAL V H H > TS+ 0 0 -53.6 -50.5 -179.9 51.6 120.4 25.1 0 0.0 426 -3.0 0 0.0 0 0.0 9 40
423 A 423 ASP D H H > TS+ 0 0 -59.8 -37.3 179.1 48.0 110.2 29.3 0 0.0 427 -2.1 0 0.0 0 0.0 7 27
424 A 424 GLU E H H > TS+ 0 0 -69.1 -38.6 178.7 49.2 112.4 23.4 0 0.0 428 -2.2 0 0.0 0 0.0 8 28
425 A 425 ILE I H H X TS+ 0 0 -62.6 -44.9 179.8 52.7 110.3 19.0 421 -2.2 429 -2.4 0 0.0 0 0.0 11 42
426 A 426 ARG R H H X >TS+ 0 0 -57.5 -41.9 -178.4 48.1 109.1 25.6 422 -3.0 431 -2.0 0 0.0 430 -0.7 12 45
427 A 427 GLN Q H H < 5TS+ 0 0 -69.3 -35.5 178.4 51.9 110.4 27.8 423 -2.1 0 0.0 0 0.0 0 0.0 8 30
428 A 428 ILE I H H < 5TS+ 0 0 -65.8 -46.6 -179.9 42.4 113.4 21.4 424 -2.2 0 0.0 0 0.0 0 0.0 8 36
429 A 429 ILE I H H < 5TS- 0 0 -78.4 -6.2 177.5 -124.6 111.9 57.8 425 -2.4 0 0.0 0 0.0 0 0.0 11 45
430 A 430 GLY G T h < 5T + 0 0 71.2 30.3 -179.8 151.8 54.7 41.5 426 -0.7 0 0.0 0 0.0 0 0.0 9 39
431 A 431 ALA A t > T - 0 0 -80.2 143.3 179.1 -127.1 19.7 134.2 0 0.0 442 -2.1 0 0.0 441 -0.7 8 45
439 A 439 LEU L H H > 3 TS+ 0 0 -57.2 -43.6 179.7 52.1 110.6 25.3 0 0.0 443 -2.9 0 0.0 0 0.0 9 47
440 A 440 ASN N H H > 3 TS+ 0 0 -65.3 -26.5 179.0 52.1 109.4 33.6 0 0.0 444 -2.2 0 0.0 0 0.0 6 39
441 A 441 ASP D H H > < TS+ 0 0 -74.8 -39.8 178.9 48.9 108.4 26.8 438 -0.7 445 -1.8 0 0.0 0 0.0 10 45
442 A 442 LEU L H H X TS+ 0 0 -61.9 -45.9 179.4 51.4 111.5 17.8 438 -2.1 446 -2.0 0 0.0 0 0.0 13 60
443 A 443 ILE I H H X TS+ 0 0 -56.4 -50.4 179.9 46.3 111.0 20.3 439 -2.9 447 -3.4 0 0.0 0 0.0 10 53
444 A 444 ASP D H H X TS+ 0 0 -62.8 -33.2 179.2 57.6 108.1 37.9 440 -2.2 448 -1.6 0 0.0 0 0.0 8 44
445 A 445 ALA A H H < TS+ 0 0 -61.9 -42.2 -178.3 33.0 117.2 26.6 441 -1.8 0 0.0 0 0.0 0 0.0 13 53
446 A 446 VAL V H H X > TS+ 0 0 -79.7 -46.9 -179.3 53.4 117.7 20.6 442 -2.0 449 -1.8 0 0.0 450 -0.6 15 56
447 A 447 ARG R H H < > TS+ 0 0 -61.5 -27.4 179.0 72.3 93.2 41.7 443 -3.4 450 -0.7 0 0.0 0 0.0 11 44
448 A 448 ALA A T h < 3 TS+ 0 0 -58.7 -30.5 179.8 50.7 98.3 36.2 444 -1.6 0 0.0 0 0.0 0 0.0 8 35
449 A 449 GLU E T T 4 < TS+ 0 0 -79.1 -26.3 177.8 14.6 130.3 42.5 446 -1.8 0 0.0 0 0.0 0 0.0 11 38
450 A 450 ASN N t < X T - 0 0 -150.1 86.8 -179.9 -175.9 63.6 129.5 447 -0.7 453 -1.8 446 -0.6 0 0.0 10 34
451 A 451 PRO P T T 3 TS+ 0 0 -62.0 -6.6 178.9 80.0 74.9 52.7 0 0.0 0 0.0 0 0.0 0 0.0 7 28
452 A 452 ASP D T T 3 T + 0 0 -72.6 -25.7 179.0 90.0 69.7 38.3 0 0.0 0 0.0 0 0.0 0 0.0 5 25
453 A 453 ILE I t < T - 0 0 -73.9 122.9 -179.5 -178.4 54.7 128.3 450 -1.8 0 0.0 0 0.0 0 0.0 9 39
454 A 454 GLN Q + 0 0 -87.8 -45.9 179.5 10.1 66.6 31.5 0 0.0 0 0.0 0 0.0 0 0.0 7 32
455 A 455 GLN Q - 0 0 -138.8 142.8 178.2 -153.5 65.8 178.9 249 -0.6 0 0.0 0 0.0 0 0.0 7 42
456 A 456 PHE F - 0 0 -106.1 169.3 176.2 -93.9 38.1 122.8 0 0.0 458 -0.9 0 0.0 0 0.0 12 55
457 A 457 GLU E B B b + 252 0 -82.6 109.7 -176.7 161.7 55.1 141.9 251 -2.4 253 -2.0 0 0.0 0 0.0 11 59
458 A 458 CYS C h > > T + 0 0 -119.4 18.9 -175.0 128.8 20.5 80.7 456 -0.9 462 -1.9 0 0.0 461 -1.7 12 55
459 A 459 SER S H H > 3 T + 0 0 -50.7 -38.8 -179.2 58.2 67.5 42.0 0 0.0 463 -2.2 0 0.0 0 0.0 12 57
460 A 460 VAL V H H 4 3 TS+ 0 0 -64.3 -22.1 -179.9 38.0 117.6 35.2 0 0.0 401 -2.0 0 0.0 400 -1.7 10 59
461 A 461 PHE F H H 4 < TS+ 0 0 -93.6 -42.2 -177.5 16.0 134.0 29.1 458 -1.7 0 0.0 0 0.0 0 0.0 11 55
462 A 462 ASN N H H < TS- 0 0 -114.5 -7.1 178.4 -123.2 89.3 60.9 458 -1.9 0 0.0 0 0.0 0 0.0 8 41
463 A 463 GLY G h < T + 0 0 74.0 13.4 178.2 133.4 66.3 50.2 459 -2.2 465 -0.7 0 0.0 0 0.0 9 38
464 A 464 VAL V - 0 0 -100.6 109.5 180.0 -163.1 39.9 154.5 0 0.0 466 -0.7 0 0.0 0 0.0 6 34
465 A 465 TYR Y t > T - 0 0 -98.0 112.9 -175.9 -149.4 11.1 151.7 463 -0.7 468 -2.4 0 0.0 0 0.0 10 43
466 A 466 VAL V T T 3 TS+ 0 0 -56.4 -25.9 -179.2 61.8 92.9 45.9 464 -0.7 0 0.0 0 0.0 0 0.0 6 47
467 A 467 THR T T T 3 TS- 0 0 -82.2 -3.4 176.6 -140.8 96.3 63.5 0 0.0 0 0.0 0 0.0 0 0.0 7 50
468 A 468 LYS K S t < TS+ 0 0 52.4 35.0 -178.5 100.3 74.4 44.9 465 -2.4 0 0.0 0 0.0 0 0.0 5 29
469 A 469 ASP D + 0 0 -135.1 24.7 -178.9 105.6 48.8 83.8 0 0.0 471 -0.6 0 0.0 0 0.0 6 32
470 A 470 VAL V + 0 0 -113.6 115.8 178.2 147.6 35.7 158.2 0 0.0 0 0.0 0 0.0 0 0.0 10 39
471 A 471 ASP D h > > T - 0 0 -133.1 176.7 -178.5 -88.7 63.6 144.2 469 -0.6 475 -2.0 0 0.0 474 -0.5 6 28
472 A 472 GLN Q H H > 3 TS+ 0 0 -58.1 -38.7 -179.8 61.2 123.1 27.8 0 0.0 476 -2.8 0 0.0 0 0.0 6 26
473 A 473 GLY G H H > 3 TS+ 0 0 -54.0 -45.5 178.3 45.8 106.7 25.9 0 0.0 477 -1.8 0 0.0 0 0.0 7 21
474 A 474 TYR Y H H > < TS+ 0 0 -63.8 -48.2 -179.5 51.6 111.0 18.9 471 -0.5 478 -2.8 0 0.0 0 0.0 8 35
475 A 475 LEU L H H X TS+ 0 0 -59.2 -35.4 178.4 50.5 109.7 30.3 471 -2.0 479 -1.7 0 0.0 0 0.0 11 46
476 A 476 ASP D H H X TS+ 0 0 -68.2 -40.3 178.9 53.4 108.1 28.1 472 -2.8 480 -1.7 0 0.0 0 0.0 8 30
477 A 477 PHE F H H X TS+ 0 0 -58.6 -46.0 -179.9 53.1 105.8 18.5 473 -1.8 481 -1.6 0 0.0 0 0.0 8 34
478 A 478 LEU L H H X TS+ 0 0 -58.3 -36.6 178.1 55.0 105.7 27.2 474 -2.8 482 -1.9 0 0.0 0 0.0 9 48
479 A 479 ASP D H H X TS+ 0 0 -64.4 -38.9 177.8 55.2 101.8 27.8 475 -1.7 483 -2.3 0 0.0 0 0.0 10 37
480 A 480 THR T H H X TS+ 0 0 -60.9 -37.2 178.6 51.8 107.7 27.7 476 -1.7 484 -2.0 0 0.0 0 0.0 8 27
481 A 481 LEU L H H X TS+ 0 0 -64.1 -45.6 177.9 51.3 107.4 24.5 477 -1.6 485 -2.7 0 0.0 0 0.0 10 41
482 A 482 ARG R H H X TS+ 0 0 -56.9 -42.2 179.8 53.5 108.4 26.1 478 -1.9 486 -2.1 0 0.0 0 0.0 10 40
483 A 483 ASN N H H X TS+ 0 0 -60.4 -43.7 178.1 45.5 110.0 26.9 479 -2.3 487 -1.9 0 0.0 0 0.0 8 31
484 A 484 ASP D H H X TS+ 0 0 -65.9 -43.3 178.8 51.3 112.8 24.1 480 -2.0 488 -1.7 0 0.0 0 0.0 8 28
485 A 485 ASP D H H X TS+ 0 0 -59.6 -40.2 179.6 53.7 107.7 34.7 481 -2.7 489 -2.4 0 0.0 0 0.0 13 34
486 A 486 ALA A H H X TS+ 0 0 -61.5 -50.3 178.6 50.1 106.7 17.2 482 -2.1 490 -2.9 0 0.0 0 0.0 9 26
487 A 487 LYS K H H X TS+ 0 0 -55.8 -39.7 179.3 49.1 112.6 33.5 483 -1.9 491 -1.6 0 0.0 0 0.0 8 21
488 A 488 ALA A H H X TS+ 0 0 -66.5 -50.7 179.7 42.2 114.3 22.0 484 -1.7 492 -1.0 0 0.0 0 0.0 10 25
489 A 489 VAL V H H < TS+ 0 0 -66.4 -35.4 178.4 54.9 112.5 30.1 485 -2.4 0 0.0 0 0.0 0 0.0 10 26
490 A 490 GLN Q H H < TS+ 0 0 -60.0 -45.2 179.9 56.6 104.0 24.3 486 -2.9 0 0.0 0 0.0 0 0.0 6 15
491 A 491 ARG R H H < T 0 0 -56.2 -34.7 178.6 999.9 999.9 38.0 487 -1.6 0 0.0 0 0.0 0 0.0 5 13
492 A 492 GLN Q h < T 0 0 -95.0 999.9 999.9 999.9 999.9 70.4 488 -1.0 0 0.0 0 0.0 0 0.0 5 16
1ecfA.pdb
1ECF TRANSFERASE (GLUTAMINE AMIDOTRANSFERASE) MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEE SS HHHHHHHHHHGGGG SEEEEEEE TTS EEEEEEES HHHH HHHHHH SSEEEEEEE BTTB TTS S EEE SSS EEEEE Kabs/Sand
chirality -+---+-+--++++++++++++++--+---------+-+---+++-+--+++++-++++++++-++-------+-+++-++---+----++-------- chirality
bends SS SSSSSSSSSSS SS S SSS SS SSSS SSSSSS SS SSS SSS S SSS bends
turns TTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTT TTTTTTTT turns
5-turns 5-turns
3-turns >>>33< >33< >33< >33<>33< 3-turns
bridge-2 BBBB DDDDDDD CCCCCCC FFFFF bridge-2
bridge-1 AAAAAA CCCCCCC DDDDDDD AAAAAA A A EEE EEE bridge-1
sheets AAAAAA AAAAAAA AAAAAAA AAAAAAA BBB BBBBB sheets
4-turns >>>>XXXX<<<< >>44<<>>>><<<< 4-turns
summary EEEEEEeSS hHHHHHHHHHHhGGGg eEEEEEEEeTTteEEEEEEEehHHHHhhHHHHHHh SeEEEEEEE BTTBtTTt S EEE SSSeEEEEE summary
sequence CGIVGIAGVMPVNQSIYDALTVLQHRGQDAAGIITIDANNCFRLRKANGLVSDVFEARHMQRLQGNMGIGHVRYPTAGSSSASEAQPFYVNSPYGITLAH sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEETTHHHHHHHHHHHH SS HHHHHHHHHHHHHTT SSS HHHHHHHHHHHHHH EEEEEEEEETTTEEEEEE TT S EEEEEE SSS Kabs/Sand
chirality +---+++++++++++++-+---+-+-+++++++++++++++++-+---++++++++++++++-+-+---+---++----+---+-++-+--+---+--++ chirality
bends S SSSSSSSSSSSSSS SS SSSSSSSSSSSSSSS SSS SSSSSSSSSSSSSS S SSS SS S SSS bends
turns TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTT TTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >>3<< >33< >33< >33< >33< 3-turns
bridge-2 FFFF GGGGGG HHHHH JJJJ bridge-2
bridge-1 FFFFFFFFF GGGGGG IIIIII bridge-1
sheets BBBB BBBBBBBBB BBBBBB AAAAAA sheets
4-turns >>>>XXXXXX<<<< >>>>XXXXXXX<<<< >>>>XXXXXXXX<<<< >444< 4-turns
summary EEEEehHHHHHHHHHHHHh SShHHHHHHHHHHHHHhTt SSS hHHHHHHHHHHHHHHheEEEEEEEEEeTeEEEEEEeTTt S eEEEEEEeSSS summary
sequence NGNLTNAHELRKKLFEEKRRHINTTSDSEILLNIFASELDNFRHYPLEADNIFAAIAATNRLIRGAYACVAMIIGHGMVAFRDPNGIRPLVLGKRDIDEN sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EEEEEESSTHHHHHHT EEEEE TTEEEEEETT EEEEE SSS BHHHHHTTS TT EETTEEHHHHHHHHHHHHHHHHHHHTTT EEEE Kabs/Sand
chirality +----+-+-++++++-+--+-----++------+-+-+-+-++-+-+-+---++++-++--++----+--++++++++++++++++++++++-+-+---- chirality
bends SSSSSSSSS SS SS SSS SSSSSSSS SS SSS SSSSSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTT TTTT TTTT TTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >>555<< 5-turns
3-turns >>3<<>33< >33< >33< >>3<< >33< >33< >3><3< 3-turns
bridge-2 IIIIII KKKKK c bridge-2
bridge-1 BBBB JJ*JJ HHHHH KKKKK b LL LL mmmm bridge-1
sheets AAAAAA AAAAA BBBBBB BBBBB CC CC DDDD sheets
4-turns >>>><<<< >>>4<<< >>>>XXXXXXXXXXXXX<<<< 4-turns
summary eEEEEEEethHHHHHHhtEEEEEetTeEEEEEEeTteEEEEEeSSS hHHHHHhTttTTeEETTEEHHHHHHHHHHHHHHHHHHHhTTt EEEE summary
sequence RTEYMVASESVALDTLGFDFLRDVAPGEAIYITEEGQLFTRQCADNPVSNPCLFEYVYFARPDSFIDKISVYSARVNMGTKLGEKIAREWEDLDIDVVIP sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand TTTTHHHHHHHHHHHT B EEE S SSS STTTEEE GGGTTT EEEEES SSSHHHHHHHHHHHHTT SSEEEEESS Kabs/Sand
chirality -++++++++++++++-+--+-++----++--------+-------++++----++++-+-----+---++-+++++++++++++-+-+------+---++ chirality
bends SSSSSSSSSSSSSSS S SSS SSSS SSSSSS S SSSSSSSSSSSSSSSS SS SS bends
turns TTTTTTTTTTTTTTTTTT TTTTT TTTTTTTT TTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>3<< >33< >33< >>333< 3-turns
bridge-2 ooooo pppp bridge-2
bridge-1 c NNN NNN mmmm ooooo bridge-1
sheets EEE EEE DDDDD DDDDD sheets
4-turns >444X>>>XXXXX<<<< >444< >444< >>>>XXXXXX<<<< 4-turns
summary eTTThHHHHHHHHHHHht B eEEEeS SSS tTTeEEEeGGGgTTteEEEEES SShHHHHHHHHHHHHhTtSeEEEEEeS summary
sequence IPETSCDIALEIARILGKPYRQGFVKNRYVGRTFIMPGQQLRRKSVRRKLNANRAEFRDKNVLLVDDSIVRGTTSEQIIEMAREAGAKKVYLASAAPEIR sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand S SS GGG TTTT HHHHHHHHT SEEEE HHHHHHHHHTT TT B HHHH TTS HHHHHHHHHHHHHHHHHHHH Kabs/Sand
chirality --++-+-+---+++-++-+--+++++++-+-+-+----+++++++++++-++-+--+++++-+--+-+++-+++++++++++++++++++ chirality
bends S SS SSS SSSS SSSSSSSS S SSSSSSSSSSS S SSS SSS SSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTT TTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >>3<3< >33< >>333< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 pppp b bridge-1
sheets DDDD sheets
4-turns >>>>XX<<<< >>>>XXX>44<< >>>>XXXXXXXXXXXXXX<<<< 4-turns
summary S SS gGGGgTTTTthHHHHHHHHhtSEEEEehHHHHHHHHHhTtTTt BhHHHHh tTTt hHHHHHHHHHHHHHHHHHHHHh summary
sequence FPNVYGIDMPSATELIAHGREVDEIRQIIGADGLIFQDLNDLIDAVRAENPDIQQFECSVFNGVYVTKDVDQGYLDFLDTLRNDDAKAVQRQ sequence
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