Secondary structure calculation program - copyright by David Keith Smith, 1989
1g8lA.pdb
1G8L METAL BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 403
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 7 LEU L 0 0 999.9 -48.2 177.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 28
2 A 8 MET M B B a - 270 0 -88.6 137.0 -179.2 -113.6 999.9 137.4 269 -3.2 271 -3.7 0 0.0 0 0.0 9 34
3 A 9 SER S h > T - 0 0 -72.3 138.5 179.7 -132.6 13.1 115.5 0 0.0 7 -2.8 0 0.0 0 0.0 9 36
4 A 10 LEU L H H > TS+ 0 0 -52.3 -51.8 -179.4 52.5 107.8 22.2 0 0.0 8 -3.8 0 0.0 0 0.0 10 48
5 A 11 ASP D H H > TS+ 0 0 -54.3 -43.1 179.3 47.0 111.4 26.5 0 0.0 9 -2.9 0 0.0 0 0.0 6 39
6 A 12 THR T H H > TS+ 0 0 -65.5 -43.2 177.8 46.5 114.7 26.6 0 0.0 10 -2.0 0 0.0 0 0.0 8 31
7 A 13 ALA A H H X TS+ 0 0 -63.7 -51.6 -179.5 44.2 115.9 16.9 3 -2.8 11 -2.6 0 0.0 0 0.0 11 42
8 A 14 LEU L H H X TS+ 0 0 -60.0 -49.7 -179.7 51.1 113.6 17.2 4 -3.8 12 -2.8 0 0.0 0 0.0 10 49
9 A 15 ASN N H H X TS+ 0 0 -55.9 -40.8 180.0 47.2 111.7 27.8 5 -2.9 13 -1.7 0 0.0 0 0.0 8 31
10 A 16 GLU E H H X TS+ 0 0 -68.8 -41.1 179.6 51.6 111.1 25.2 6 -2.0 14 -0.8 0 0.0 0 0.0 8 34
11 A 17 MET M H H X > TS+ 0 0 -60.1 -48.1 -178.8 46.3 111.9 19.6 7 -2.6 14 -0.9 0 0.0 15 -0.8 10 46
12 A 18 LEU L H H < > TS+ 0 0 -65.1 -32.2 -178.8 62.7 103.6 33.5 8 -2.8 15 -0.5 0 0.0 0 0.0 10 40
13 A 19 SER S H H < 3 TS+ 0 0 -68.0 -20.2 -179.6 49.1 104.0 44.2 9 -1.7 0 0.0 0 0.0 0 0.0 6 28
14 A 20 ARG R H H < < TS+ 0 0 -91.6 -18.5 -176.7 94.0 94.3 47.8 11 -0.9 0 0.0 10 -0.8 0 0.0 6 35
15 A 21 VAL V h < < T - 0 0 -85.7 136.9 178.8 -159.4 56.1 123.4 11 -0.8 0 0.0 12 -0.5 0 0.0 9 39
16 A 22 THR T - 0 0 -111.6 122.8 -179.6 -116.3 28.3 161.1 0 0.0 0 0.0 0 0.0 0 0.0 6 32
17 A 23 PRO P - 0 0 -59.8 142.2 178.7 -101.9 36.1 105.6 0 0.0 0 0.0 0 0.0 0 0.0 8 44
18 A 24 LEU L - 0 0 -58.0 157.3 178.4 -175.5 33.7 101.1 313 -2.9 0 0.0 0 0.0 0 0.0 10 44
19 A 25 THR T + 0 0 -129.7 -23.7 -179.8 114.0 43.5 57.4 0 0.0 0 0.0 0 0.0 0 0.0 8 33
20 A 26 ALA A e - 0 0 -52.4 141.2 -176.7 -166.1 52.9 103.8 0 0.0 170 -2.3 0 0.0 0 0.0 6 29
21 A 27 GLN Q E E AA - 169 0 -134.9 169.0 177.9 -164.5 24.6 143.6 0 0.0 0 0.0 0 0.0 0 0.0 9 33
22 A 28 GLU E E E AA - 168 0 -149.1 149.0 179.3 -126.1 23.3 168.4 168 -2.3 168 -3.4 0 0.0 24 -0.6 8 32
23 A 29 THR T E E AA + 167 0 -102.3 124.0 -178.6 177.7 34.8 152.0 0 0.0 0 0.0 0 0.0 0 0.0 8 31
24 A 30 LEU L E E AA - 166 0 -129.3 149.8 177.6 -101.9 36.3 158.7 166 -2.5 166 -2.1 22 -0.6 0 0.0 10 31
25 A 31 PRO P E E AA > T - 165 0 -62.9 144.7 -175.7 -109.2 46.2 113.8 0 0.0 28 -2.2 0 0.0 0 0.0 9 35
26 A 32 LEU L G e > TS+ 0 0 -48.5 -39.7 -179.0 65.8 113.6 36.4 164 -2.1 29 -2.4 0 0.0 0 0.0 11 38
27 A 33 VAL V G G 3 TS+ 0 0 -60.0 -17.9 -179.2 48.6 103.1 45.1 0 0.0 0 0.0 0 0.0 0 0.0 6 31
28 A 34 GLN Q G G < TS+ 0 0 -103.9 11.4 -176.1 83.0 92.6 72.6 25 -2.2 0 0.0 0 0.0 0 0.0 6 32
29 A 35 CYS C g X T + 0 0 -99.8 6.5 179.9 133.8 50.4 69.2 26 -2.4 32 -2.3 0 0.0 0 0.0 12 45
30 A 36 PHE F T T 3 TS+ 0 0 -59.4 130.3 179.0 4.9 84.1 109.3 0 0.0 0 0.0 0 0.0 0 0.0 11 41
31 A 37 GLY G T T 3 TS+ 0 0 79.0 -4.3 -178.3 131.0 102.5 63.9 150 -3.2 0 0.0 0 0.0 0 0.0 8 48
32 A 38 ARG R t < T - 0 0 -86.8 150.6 -179.1 -120.0 58.3 120.2 29 -2.3 150 -3.4 0 0.0 34 -0.5 11 60
33 A 39 ILE I B B B - 149 0 -92.3 125.0 176.2 -117.1 27.2 145.7 0 0.0 169 -2.6 0 0.0 0 0.0 14 55
34 A 40 LEU L B B C - 168 0 -58.2 127.2 -179.1 -163.3 21.0 114.5 148 -2.8 147 -3.4 32 -0.5 0 0.0 16 57
35 A 41 ALA A S S S+ 0 0 -84.6 -31.4 -179.0 23.8 72.7 41.8 167 -3.7 0 0.0 0 0.0 0 0.0 11 45
36 A 42 SER S S S S- 0 0 -137.3 151.0 177.8 -87.2 95.1 167.3 167 -0.9 0 0.0 0 0.0 0 0.0 9 42
37 A 43 ASP D - 0 0 -52.0 136.9 176.5 -130.1 39.6 102.3 0 0.0 39 -0.7 0 0.0 0 0.0 10 39
38 A 44 VAL V E E BB - 144 0 -94.9 118.3 -176.8 -158.3 26.5 150.3 144 -3.7 143 -3.7 0 0.0 144 -1.1 11 46
39 A 45 VAL V E E BB - 142 0 -100.7 137.5 -179.6 -114.8 18.1 144.1 37 -0.7 0 0.0 0 0.0 0 0.0 10 37
40 A 46 SER S e - 0 0 -77.0 123.1 176.8 -169.1 20.1 126.0 141 -3.5 140 -3.8 0 0.0 0 0.0 13 37
41 A 47 PRO P S S S+ 0 0 -79.8 -10.9 -177.6 39.0 72.2 54.6 0 0.0 0 0.0 0 0.0 0 0.0 7 30
42 A 48 LEU L S S S- 0 0 -138.2 167.5 178.2 -103.9 83.3 152.0 0 0.0 0 0.0 0 0.0 0 0.0 11 29
43 A 49 ASP D - 0 0 -90.0 138.0 178.3 -122.6 40.2 135.7 0 0.0 0 0.0 0 0.0 0 0.0 14 31
44 A 50 VAL V B B D S+ 137 0 -131.4 116.2 -0.1 28.1 103.2 167.3 137 -4.3 137 -2.6 0 0.0 136 -2.1 12 36
45 A 51 PRO P S S S- 0 0 -72.8 167.7 -178.3 -148.1 89.6 52.9 0 0.0 134 -3.1 0 0.0 0 0.0 12 36
46 A 52 GLY G S S S+ 0 0 -77.4 -15.5 -178.5 15.0 74.9 50.0 0 0.0 0 0.0 0 0.0 0 0.0 8 32
47 A 53 PHE F S S S- 0 0 -154.3 158.5 178.0 -80.5 94.1 166.2 0 0.0 0 0.0 0 0.0 0 0.0 10 37
48 A 54 ASP D + 0 0 -63.3 124.6 -179.0 167.7 61.4 118.0 0 0.0 98 -2.2 0 0.0 0 0.0 11 46
49 A 55 ASN N E E CCE - 131 97 -139.7 168.1 -176.5 -82.7 35.9 155.2 131 -2.6 131 -3.5 0 0.0 0 0.0 13 50
50 A 56 SER S E E CC - 130 0 -80.3 132.5 176.3 -161.0 16.5 121.7 96 -2.6 95 -3.8 0 0.0 0 0.0 16 53
51 A 57 ALA A S e S+ 0 0 -77.4 -18.1 -176.8 26.4 77.3 49.7 129 -2.8 0 0.0 0 0.0 0 0.0 11 44
52 A 58 MET M S S S- 0 0 -141.1 174.8 175.4 -96.2 83.7 148.9 0 0.0 54 -0.7 0 0.0 0 0.0 12 38
53 A 59 ASP D S e S+ 0 0 -93.0 117.5 -179.2 76.1 82.9 149.5 0 0.0 108 -2.4 0 0.0 0 0.0 11 40
54 A 60 GLY G E E DDE S- 92 107 -179.5 -131.3 -177.5 -39.3 81.4 138.9 92 -2.5 92 -2.8 52 -0.7 0 0.0 12 56
55 A 61 TYR Y E E DDE - 91 106 -135.2 138.6 176.3 -136.8 34.6 173.2 106 -2.3 106 -2.5 0 0.0 0 0.0 12 67
56 A 62 ALA A E E DDE + 90 105 -89.5 129.3 -176.8 164.9 41.7 142.8 90 -3.0 90 -2.2 0 0.0 0 0.0 15 69
57 A 63 VAL V E E D E - 0 104 -139.5 177.1 176.9 -115.5 36.8 146.3 104 -2.7 103 -2.6 0 0.0 104 -1.3 14 67
58 A 64 ARG R h > > T - 0 0 -120.5 134.5 -178.5 -126.5 26.2 166.7 0 0.0 62 -1.7 0 0.0 61 -0.8 11 50
59 A 65 LEU L H H > 3 TS+ 0 0 -47.2 -37.2 -179.9 53.8 110.3 36.7 0 0.0 63 -2.1 0 0.0 0 0.0 11 40
60 A 66 ALA A H H > 3 TS+ 0 0 -69.5 -39.1 178.5 52.8 104.8 26.3 0 0.0 64 -1.8 0 0.0 0 0.0 6 32
61 A 67 ASP D H H > < TS+ 0 0 -63.7 -38.7 178.0 45.7 111.7 27.0 58 -0.8 65 -0.8 0 0.0 0 0.0 13 39
62 A 68 ILE I H H < > TS+ 0 0 -66.6 -43.4 -179.4 57.7 108.5 21.7 58 -1.7 65 -1.3 0 0.0 0 0.0 11 43
63 A 69 ALA A H H < 3 TS+ 0 0 -54.8 -34.5 177.9 61.5 97.5 32.4 59 -2.1 0 0.0 0 0.0 0 0.0 6 27
64 A 70 SER S H H < 3 TS- 0 0 -62.4 -34.6 175.6 -150.1 96.4 32.9 60 -1.8 0 0.0 0 0.0 0 0.0 7 25
65 A 71 GLY G h < < T + 0 0 87.5 -15.8 -179.0 123.8 49.4 77.2 62 -1.3 0 0.0 61 -0.8 0 0.0 7 27
66 A 72 GLN Q S S S- 0 0 -78.0 154.3 179.0 -87.2 75.7 113.7 0 0.0 0 0.0 0 0.0 0 0.0 8 30
67 A 73 PRO P - 0 0 -56.4 147.2 -179.2 -130.3 45.6 108.4 0 0.0 0 0.0 0 0.0 0 0.0 9 38
68 A 74 LEU L B B F - 118 0 -109.2 116.3 178.8 -137.6 12.8 157.9 118 -3.1 118 -3.3 0 0.0 0 0.0 13 47
69 A 75 PRO P e - 0 0 -67.2 145.7 -179.2 -106.4 29.1 114.0 0 0.0 89 -2.4 0 0.0 71 -0.8 10 37
70 A 76 VAL V E E Df - 89 0 -80.5 112.0 179.9 -174.8 32.8 135.1 0 0.0 0 0.0 0 0.0 0 0.0 11 46
71 A 77 ALA A E E D* - 0 0 -80.0 -14.5 178.8 -53.0 61.7 56.7 89 -2.3 0 0.0 69 -0.8 0 0.0 10 40
72 A 78 GLY G E E Df - 90 0 165.4 -168.4 -179.4 -95.5 57.0 167.4 89 -0.7 91 -3.1 0 0.0 0 0.0 8 38
73 A 79 LYS K E E Df - 91 0 -143.3 151.6 177.2 -151.9 10.4 169.3 0 0.0 0 0.0 0 0.0 0 0.0 10 45
74 A 80 SER S E E Df + 92 0 -122.7 125.4 -179.1 175.8 26.0 173.5 91 -2.4 93 -1.3 0 0.0 0 0.0 15 44
75 A 81 PHE F B B G > T - 78 0 -117.0 -172.2 179.5 -71.1 44.6 121.7 78 -1.9 78 -1.2 0 0.0 0 0.0 13 32
76 A 82 ALA A T T 3 TS+ 0 0 -44.5 -80.1 -177.5 17.1 125.3 18.8 0 0.0 0 0.0 0 0.0 0 0.0 10 30
77 A 83 GLY G T T 3 TS+ 0 0 -96.2 45.9 180.0 60.2 122.8 100.3 0 0.0 0 0.0 0 0.0 0 0.0 5 22
78 A 84 GLN Q B B G < T - 75 0 -169.8 86.4 179.7 -156.3 67.2 116.1 75 -1.2 75 -1.9 0 0.0 0 0.0 8 25
79 A 85 PRO P - 0 0 -57.1 169.3 179.5 -83.0 44.2 92.0 0 0.0 81 -0.5 0 0.0 0 0.0 12 34
80 A 86 TYR Y - 0 0 -82.0 126.2 179.0 -167.4 51.0 136.0 0 0.0 0 0.0 0 0.0 0 0.0 12 39
81 A 87 HIS H + 0 0 -112.1 149.3 -179.9 41.8 44.0 147.6 79 -0.5 0 0.0 0 0.0 0 0.0 5 27
82 A 88 GLY G S S S- 0 0 100.7 161.8 -178.7 -39.8 96.3 99.0 0 0.0 0 0.0 0 0.0 0 0.0 4 23
83 A 89 GLU E - 0 0 -58.9 152.8 178.6 -141.5 43.2 96.4 0 0.0 0 0.0 0 0.0 0 0.0 4 26
84 A 90 TRP W - 0 0 -116.3 89.7 -178.6 -142.5 25.1 150.0 0 0.0 0 0.0 0 0.0 0 0.0 8 33
85 A 91 PRO P t > T - 0 0 -53.4 151.9 177.8 -96.6 26.5 98.1 0 0.0 88 -0.9 0 0.0 0 0.0 6 31
86 A 92 ALA A T T 3 TS+ 0 0 -63.9 152.7 178.2 30.4 110.0 108.5 0 0.0 0 0.0 0 0.0 0 0.0 5 31
87 A 93 GLY G T T 3 TS+ 0 0 68.2 24.0 178.0 104.1 102.8 41.9 0 0.0 0 0.0 0 0.0 0 0.0 9 34
88 A 94 THR T t < T - 0 0 -134.0 163.3 179.8 -144.2 55.7 155.3 85 -0.9 0 0.0 0 0.0 0 0.0 12 49
89 A 95 CYS C E E D f - 0 70 -126.3 155.4 179.1 -129.3 13.3 154.2 69 -2.4 71 -2.3 0 0.0 72 -0.7 15 59
90 A 96 ILE I E E DDf - 56 72 -108.1 124.3 177.5 -127.0 23.1 156.6 56 -2.2 56 -3.0 0 0.0 0 0.0 15 60
91 A 97 ARG R E E DDf - 55 73 -63.3 135.7 -177.3 -176.7 40.5 116.3 72 -3.1 74 -2.4 0 0.0 0 0.0 12 62
92 A 98 ILE I E E DDf - 54 74 -144.4 150.9 178.2 -152.7 21.9 171.4 54 -2.8 54 -2.5 0 0.0 0 0.0 15 54
93 A 99 MET M e > T - 0 0 -118.0 158.8 178.0 -76.5 43.9 146.3 74 -1.3 96 -2.0 0 0.0 0 0.0 13 40
94 A 100 THR T T T 3 TS+ 0 0 -50.1 135.6 179.7 13.9 117.2 100.2 0 0.0 0 0.0 0 0.0 0 0.0 11 39
95 A 101 GLY G T T 3 TS+ 0 0 81.7 -19.0 179.8 128.6 93.9 78.9 50 -3.8 0 0.0 0 0.0 0 0.0 10 42
96 A 102 ALA A t < T - 0 0 -70.1 145.0 -180.0 -99.5 69.9 114.2 93 -2.0 50 -2.6 0 0.0 0 0.0 14 44
97 A 103 PRO P B B E - 49 0 -67.3 138.1 179.8 -117.0 36.7 113.0 0 0.0 0 0.0 0 0.0 0 0.0 14 47
98 A 104 VAL V - 0 0 -78.1 133.2 -179.5 -108.3 34.5 127.6 48 -2.2 0 0.0 0 0.0 0 0.0 14 54
99 A 105 PRO P t > T - 0 0 -62.2 147.7 -178.8 -79.8 46.3 101.7 0 0.0 102 -2.6 0 0.0 0 0.0 11 53
100 A 106 GLU E T T 3 TS+ 0 0 -49.9 125.5 178.7 18.4 119.1 102.6 0 0.0 0 0.0 0 0.0 0 0.0 4 41
101 A 107 GLY G T T 3 TS+ 0 0 96.6 -16.4 179.5 147.8 86.4 77.7 0 0.0 0 0.0 0 0.0 0 0.0 5 39
102 A 108 CYS C t < T + 0 0 -54.7 134.5 -178.4 177.9 21.9 104.6 99 -2.6 0 0.0 0 0.0 0 0.0 10 56
103 A 109 GLU E + 0 0 -117.4 -10.5 -179.7 5.1 61.3 60.4 57 -2.6 127 -3.7 0 0.0 0 0.0 11 44
104 A 110 ALA A E E DE - 57 0 -169.3 156.6 176.1 -137.4 53.9 169.6 57 -1.3 57 -2.7 0 0.0 0 0.0 15 52
105 A 111 VAL V E E DE - 56 0 -121.4 137.5 178.9 -157.3 17.2 166.1 128 -2.3 0 0.0 0 0.0 0 0.0 16 59
106 A 112 VAL V E E DE - 55 0 -116.5 125.6 179.1 -121.0 22.2 168.9 55 -2.5 55 -2.3 0 0.0 0 0.0 15 57
107 A 113 MET M E E DE > T - 54 0 -65.2 137.5 -179.1 -122.4 22.7 114.1 0 0.0 110 -2.4 0 0.0 0 0.0 10 44
108 A 114 GLN Q G e > TS+ 0 0 -49.3 -35.9 -178.3 69.1 108.0 36.8 53 -2.4 111 -2.2 0 0.0 0 0.0 10 39
109 A 115 GLU E G T 3 TS+ 0 0 -60.6 -20.1 178.5 52.0 97.6 44.7 0 0.0 0 0.0 0 0.0 0 0.0 6 27
110 A 116 GLN Q G e < TS+ 0 0 -93.1 -2.3 -176.9 78.1 104.8 63.1 107 -2.4 121 -0.7 0 0.0 122 -0.5 9 32
111 A 117 THR T E E EG < TS- 120 0 -116.2 157.5 178.7 -136.0 70.7 140.7 108 -2.2 113 -0.8 0 0.0 0 0.0 12 38
112 A 118 GLU E E E EG - 119 0 -107.6 95.1 -178.9 -152.2 23.8 149.5 119 -2.2 119 -2.6 0 0.0 114 -1.0 9 29
113 A 119 GLN Q E E EG + 118 0 -73.4 104.2 -178.5 173.8 25.9 125.8 111 -0.8 0 0.0 0 0.0 0 0.0 8 31
114 A 120 MET M E E EG > T - 117 0 -109.6 169.8 -177.7 -104.9 44.5 127.4 117 -1.9 117 -1.2 112 -1.0 0 0.0 7 24
115 A 121 ASP D T T 3 TS+ 0 0 -62.1 -37.6 -178.3 39.6 118.9 31.1 0 0.0 0 0.0 0 0.0 0 0.0 5 18
116 A 122 ASN N T T 3 TS- 0 0 -102.5 24.0 179.2 -43.9 131.1 85.4 0 0.0 0 0.0 0 0.0 0 0.0 7 22
117 A 123 GLY G E E EG < T - 114 0 137.2 169.2 179.6 -69.5 68.3 133.5 114 -1.2 114 -1.9 0 0.0 119 -0.5 10 36
118 A 124 VAL V E E EGF - 113 68 -97.1 126.3 178.3 -141.4 41.5 146.6 68 -3.3 68 -3.1 0 0.0 120 -0.6 14 43
119 A 125 ARG R E E EG - 112 0 -89.1 124.6 179.7 -161.5 15.0 140.4 112 -2.6 112 -2.2 117 -0.5 0 0.0 11 41
120 A 126 PHE F E E EG + 111 0 -109.0 130.3 -179.4 156.5 24.6 156.2 118 -0.6 0 0.0 0 0.0 0 0.0 11 43
121 A 127 THR T e + 0 0 -122.2 -28.9 179.7 88.8 47.1 50.8 110 -0.7 0 0.0 0 0.0 0 0.0 6 32
122 A 128 ALA A S S S- 0 0 -74.2 148.5 178.4 -97.6 88.2 114.2 110 -0.5 0 0.0 0 0.0 0 0.0 6 34
123 A 129 GLU E - 0 0 -60.9 147.9 179.8 -143.8 38.3 107.5 0 0.0 0 0.0 0 0.0 0 0.0 4 31
124 A 130 VAL V - 0 0 -123.0 123.2 179.9 -156.1 8.7 166.7 0 0.0 0 0.0 0 0.0 0 0.0 9 36
125 A 131 ARG R t > T - 0 0 -98.7 138.3 180.0 -99.8 31.2 142.5 0 0.0 128 -2.1 0 0.0 0 0.0 7 27
126 A 132 SER S T T 3 TS+ 0 0 -55.1 135.3 179.1 13.1 107.5 104.6 0 0.0 0 0.0 0 0.0 0 0.0 7 30
127 A 133 GLY G T T > TS+ 0 0 82.0 -11.9 -178.7 155.7 87.8 74.6 103 -3.7 130 -1.7 0 0.0 0 0.0 8 36
128 A 134 GLN Q T T < T + 0 0 -52.9 133.8 177.9 1.7 68.6 98.1 125 -2.1 105 -2.3 0 0.0 0 0.0 10 37
129 A 135 ASN N T e 3 TS+ 0 0 62.6 20.7 178.0 127.9 98.0 45.2 0 0.0 51 -2.8 0 0.0 131 -0.6 10 45
130 A 136 ILE I E E CC < T - 50 0 -110.6 117.6 177.2 -150.6 50.9 158.4 127 -1.7 132 -0.8 0 0.0 0 0.0 12 47
131 A 137 ARG R E E CC - 49 0 -85.4 115.2 -177.9 -138.5 24.8 140.6 49 -3.5 49 -2.6 129 -0.6 0 0.0 10 43
132 A 138 ARG R t > T - 0 0 -81.2 143.7 177.3 -89.0 25.2 119.8 130 -0.8 135 -2.4 0 0.0 0 0.0 9 37
133 A 139 ARG R T T 3 TS+ 0 0 -44.6 132.6 179.0 5.0 111.2 97.5 0 0.0 0 0.0 0 0.0 0 0.0 12 33
134 A 140 GLY G T T 3 TS+ 0 0 65.8 12.1 -179.5 129.0 85.5 55.6 45 -3.1 0 0.0 0 0.0 0 0.0 13 30
135 A 141 GLU E S t < TS+ 0 0 -69.0 -25.6 177.7 37.4 81.9 37.8 132 -2.4 0 0.0 0 0.0 0 0.0 10 28
136 A 142 ASP D S S S+ 0 0 -88.1 -44.8 176.7 1.5 140.2 32.1 44 -2.1 0 0.0 0 0.0 0 0.0 7 32
137 A 143 ILE I B B D - 44 0 -145.4 124.4 177.7 -157.6 69.5 161.8 44 -2.6 44 -4.3 0 0.0 0 0.0 12 32
138 A 144 SER S t > T - 0 0 -104.8 141.0 -179.9 -96.7 35.3 148.8 0 0.0 141 -2.0 0 0.0 0 0.0 12 28
139 A 145 ALA A T T 3 TS+ 0 0 -52.3 138.3 -179.9 29.4 111.9 102.0 0 0.0 0 0.0 0 0.0 0 0.0 11 29
140 A 146 GLY G T T 3 TS+ 0 0 89.6 -6.0 178.1 124.0 93.9 69.3 40 -3.8 0 0.0 0 0.0 0 0.0 8 27
141 A 147 ALA A S e < TS- 0 0 -86.4 151.2 176.5 -110.6 70.5 124.9 138 -2.0 40 -3.5 0 0.0 143 -0.5 8 26
142 A 148 VAL V E E BB - 39 0 -79.1 122.8 179.1 -179.1 32.6 133.9 0 0.0 0 0.0 0 0.0 0 0.0 9 31
143 A 149 VAL V E E B* S+ 0 0 -88.8 -42.9 178.5 9.9 75.3 30.3 38 -3.7 0 0.0 141 -0.5 0 0.0 9 41
144 A 150 PHE F E E BB S- 38 0 -139.5 124.3 179.3 -135.2 80.5 171.5 38 -1.1 38 -3.7 0 0.0 0 0.0 10 45
145 A 151 PRO P t > T - 0 0 -79.2 153.7 176.0 -87.5 35.8 115.6 0 0.0 148 -1.7 0 0.0 0 0.0 10 34
146 A 152 ALA A T T 3 TS+ 0 0 -54.7 138.4 -177.8 45.9 116.2 108.5 0 0.0 0 0.0 0 0.0 0 0.0 10 43
147 A 153 GLY G T T 3 TS+ 0 0 106.5 -13.3 -179.2 134.9 79.6 78.3 34 -3.4 317 -1.9 0 0.0 0 0.0 12 46
148 A 154 THR T t < T - 0 0 -74.1 129.4 175.6 -132.1 55.3 120.2 145 -1.7 34 -2.8 0 0.0 0 0.0 11 46
149 A 155 ARG R B B B - 33 0 -79.6 124.8 -176.5 -127.4 28.7 134.8 0 0.0 0 0.0 0 0.0 0 0.0 11 53
150 A 156 LEU L + 0 0 -84.0 129.6 -176.6 157.4 40.5 129.3 32 -3.4 31 -3.2 0 0.0 0 0.0 13 49
151 A 157 THR T t > T - 0 0 -133.4 -176.1 175.7 -79.8 61.9 127.1 0 0.0 155 -2.7 0 0.0 0 0.0 9 32
152 A 158 THR T T T 4 TS+ 0 0 -64.6 -15.7 178.5 61.4 128.8 46.3 0 0.0 0 0.0 0 0.0 0 0.0 7 23
153 A 159 ALA A T T 4 TS+ 0 0 -77.3 -37.4 -175.0 25.4 116.4 27.4 0 0.0 0 0.0 0 0.0 0 0.0 7 23
154 A 160 GLU E T h > TS+ 0 0 -97.3 -40.1 -176.2 63.4 110.9 28.8 0 0.0 158 -1.8 0 0.0 0 0.0 9 43
155 A 161 LEU L H H X TS+ 0 0 -57.7 -48.5 177.8 49.5 102.1 27.1 151 -2.7 159 -2.2 0 0.0 0 0.0 13 42
156 A 162 PRO P H H > TS+ 0 0 -59.9 -32.4 179.0 55.6 108.2 30.8 0 0.0 160 -2.2 0 0.0 0 0.0 8 30
157 A 163 VAL V H H > TS+ 0 0 -64.8 -40.0 179.5 48.9 107.4 25.4 0 0.0 161 -0.7 0 0.0 0 0.0 8 42
158 A 164 ILE I H H < >>TS+ 0 0 -65.3 -39.1 178.2 52.5 109.9 25.7 154 -1.8 163 -1.6 0 0.0 161 -1.0 11 51
159 A 165 ALA A H H < >5TS+ 0 0 -62.1 -39.5 -179.5 60.8 101.0 26.7 155 -2.2 162 -2.2 0 0.0 0 0.0 10 34
160 A 166 SER S H H < 35TS+ 0 0 -61.7 -19.8 -179.3 58.2 98.7 43.8 156 -2.2 0 0.0 0 0.0 0 0.0 7 33
161 A 167 LEU L T h < <5TS- 0 0 -91.4 3.7 179.6 -109.2 120.9 67.8 158 -1.0 0 0.0 157 -0.7 0 0.0 9 35
162 A 168 GLY G T T <5TS+ 0 0 79.4 12.4 -180.0 143.8 71.4 51.1 159 -2.2 164 -0.5 0 0.0 0 0.0 6 28
163 A 169 ILE I t T - 0 0 137.4 136.9 -179.4 -114.3 60.5 106.0 220 -1.1 183 -0.9 0 0.0 0 0.0 10 48
181 A 187 ASP D T T 3 TS+ 0 0 -64.7 -26.4 177.7 61.9 113.5 42.6 0 0.0 0 0.0 0 0.0 0 0.0 8 34
182 A 188 GLU E T e 3 TS+ 0 0 -69.2 -30.9 -178.1 103.0 80.4 35.9 0 0.0 195 -2.2 0 0.0 0 0.0 9 33
183 A 189 LEU L E E Gj < T - 195 0 -59.8 126.0 179.8 -171.7 54.0 110.3 180 -0.9 0 0.0 0 0.0 0 0.0 11 40
184 A 190 GLN Q E E Gj - 196 0 -122.1 149.7 177.6 -130.8 18.2 153.3 195 -2.9 197 -2.5 0 0.0 0 0.0 12 33
185 A 191 LEU L t > T - 0 0 -90.6 158.5 179.5 -85.1 42.9 126.4 0 0.0 188 -1.2 0 0.0 0 0.0 7 31
186 A 192 PRO P T T 3 TS+ 0 0 -61.2 157.7 179.0 32.5 111.0 99.6 0 0.0 0 0.0 0 0.0 0 0.0 5 19
187 A 193 GLY G T T 3 TS+ 0 0 84.2 -23.3 -179.7 103.1 96.2 83.0 0 0.0 0 0.0 0 0.0 0 0.0 4 13
188 A 194 GLN Q S t < TS- 0 0 -97.1 129.4 179.6 -114.7 78.6 144.0 185 -1.2 0 0.0 0 0.0 0 0.0 6 18
189 A 195 PRO P - 0 0 -58.9 148.1 -179.5 -94.9 41.3 104.8 0 0.0 0 0.0 0 0.0 0 0.0 4 16
190 A 196 LEU L - 0 0 -69.2 125.9 179.1 -150.0 42.2 121.2 0 0.0 0 0.0 0 0.0 0 0.0 9 18
191 A 197 GLY G - 0 0 -72.5 -148.6 -179.5 -47.1 48.4 68.5 0 0.0 0 0.0 0 0.0 0 0.0 8 17
192 A 198 ASP D S S S- 0 0 -50.6 -94.4 179.4 -8.1 131.5 20.3 0 0.0 0 0.0 0 0.0 0 0.0 5 14
193 A 199 GLY G S S S+ 0 0 -98.4 37.9 -178.0 145.2 105.4 97.0 0 0.0 0 0.0 0 0.0 0 0.0 6 15
194 A 200 GLN Q + 0 0 -81.8 149.2 176.7 179.8 25.4 116.5 0 0.0 0 0.0 0 0.0 0 0.0 10 26
195 A 201 ILE I E E Gj - 183 0 -138.8 162.5 179.2 -93.6 36.1 158.3 182 -2.2 184 -2.9 0 0.0 0 0.0 9 30
196 A 202 TYR Y E E Gj - 184 0 -81.5 134.4 177.1 -115.8 40.8 131.2 0 0.0 198 -0.5 0 0.0 0 0.0 9 35
197 A 203 ASP D e + 0 0 -68.2 114.9 -179.5 152.8 51.3 127.1 184 -2.5 0 0.0 0 0.0 0 0.0 9 49
198 A 204 THR T h > T + 0 0 -117.4 -30.1 178.6 68.4 57.0 49.0 196 -0.5 202 -2.2 0 0.0 0 0.0 7 47
199 A 205 ASN N H H > TS+ 0 0 -57.3 -42.1 -177.3 55.2 97.5 29.1 0 0.0 203 -2.8 0 0.0 0 0.0 12 56
200 A 206 ARG R H H > TS+ 0 0 -61.5 -44.6 179.5 45.4 109.7 23.0 0 0.0 204 -2.6 0 0.0 0 0.0 13 55
201 A 207 LEU L H H > TS+ 0 0 -64.6 -43.7 179.9 52.1 112.9 21.5 0 0.0 205 -2.8 0 0.0 0 0.0 8 47
202 A 208 ALA A H H X TS+ 0 0 -57.0 -51.1 -178.8 42.5 113.2 19.9 198 -2.2 206 -2.1 0 0.0 0 0.0 9 53
203 A 209 VAL V H H X TS+ 0 0 -64.2 -41.8 179.9 54.7 112.8 26.2 199 -2.8 207 -2.8 0 0.0 0 0.0 11 61
204 A 210 HIS H H H X TS+ 0 0 -56.6 -49.7 179.0 48.6 108.5 19.4 200 -2.6 208 -2.4 0 0.0 0 0.0 11 47
205 A 211 LEU L H H X TS+ 0 0 -55.9 -50.8 -177.9 45.5 113.6 22.3 201 -2.8 209 -2.5 0 0.0 0 0.0 8 40
206 A 212 MET M H H X TS+ 0 0 -62.5 -46.7 178.7 54.0 110.2 19.1 202 -2.1 210 -2.0 0 0.0 0 0.0 9 49
207 A 213 LEU L H H < >TS+ 0 0 -51.3 -48.6 -179.6 45.4 111.6 23.2 203 -2.8 212 -2.5 0 0.0 0 0.0 12 55
208 A 214 GLU E H H < >5TS+ 0 0 -63.9 -45.7 -179.8 49.6 112.6 20.5 204 -2.4 211 -2.1 0 0.0 0 0.0 10 38
209 A 215 GLN Q H H < 35TS+ 0 0 -66.4 -21.9 178.3 57.9 106.5 40.5 205 -2.5 0 0.0 0 0.0 0 0.0 8 35
210 A 216 LEU L T h < 35TS- 0 0 -84.8 -2.0 178.1 -110.1 122.2 59.4 206 -2.0 0 0.0 0 0.0 0 0.0 7 51
211 A 217 GLY G T T <5TS+ 0 0 86.6 14.2 -177.9 138.4 71.2 52.7 208 -2.1 0 0.0 0 0.0 0 0.0 10 46
212 A 218 CYS C t T - 0 0 -148.9 134.8 -178.8 -137.3 68.4 170.9 221 -3.1 227 -2.6 0 0.0 0 0.0 7 29
224 A 230 PRO P H H > TS+ 0 0 -63.6 -33.0 -179.3 51.4 106.4 31.7 0 0.0 228 -2.7 0 0.0 0 0.0 9 32
225 A 231 HIS H H H > TS+ 0 0 -70.2 -39.9 178.0 44.6 113.1 25.7 0 0.0 229 -2.1 0 0.0 0 0.0 6 26
226 A 232 ALA A H H > TS+ 0 0 -67.6 -44.4 -179.3 46.5 116.7 25.8 0 0.0 230 -2.2 0 0.0 0 0.0 10 33
227 A 233 LEU L H H X TS+ 0 0 -64.3 -48.5 178.5 50.8 111.2 23.2 223 -2.6 231 -2.4 0 0.0 0 0.0 14 47
228 A 234 ARG R H H X TS+ 0 0 -54.4 -47.0 -179.2 47.3 112.6 21.9 224 -2.7 232 -2.1 0 0.0 0 0.0 9 44
229 A 235 ALA A H H X TS+ 0 0 -64.1 -37.5 178.5 55.3 108.6 31.1 225 -2.1 233 -2.6 0 0.0 0 0.0 8 38
230 A 236 ALA A H H X TS+ 0 0 -60.8 -46.6 -178.6 47.5 108.4 22.4 226 -2.2 234 -3.1 0 0.0 0 0.0 10 51
231 A 237 PHE F H H X TS+ 0 0 -61.8 -43.8 179.9 51.1 111.2 22.6 227 -2.4 235 -3.6 0 0.0 0 0.0 10 62
232 A 238 ILE I H H X TS+ 0 0 -58.5 -49.3 179.5 43.3 114.2 20.3 228 -2.1 236 -2.0 0 0.0 0 0.0 8 41
233 A 239 GLU E H H X TS+ 0 0 -63.0 -45.0 179.5 46.3 117.5 21.1 229 -2.6 237 -1.1 0 0.0 0 0.0 8 41
234 A 240 ALA A H H X > TS+ 0 0 -62.3 -51.1 -178.7 46.9 114.1 20.1 230 -3.1 238 -1.3 0 0.0 237 -0.6 13 48
235 A 241 ASP D H H < 3 TS+ 0 0 -64.6 -32.0 -177.7 55.7 108.2 32.3 231 -3.6 0 0.0 0 0.0 0 0.0 15 46
236 A 242 SER S H H < 3 TS+ 0 0 -76.0 -23.5 -178.3 29.8 119.0 38.3 232 -2.0 0 0.0 0 0.0 0 0.0 8 32
237 A 243 GLN Q H H < < TS+ 0 0 -114.2 -1.0 -177.1 64.0 112.6 62.0 233 -1.1 0 0.0 234 -0.6 0 0.0 8 33
238 A 244 ALA A h < T - 0 0 -127.5 159.3 179.5 -147.4 58.6 149.5 234 -1.3 0 0.0 0 0.0 0 0.0 14 42
239 A 245 ASP D S e S+ 0 0 -88.4 -23.7 -177.0 30.8 97.4 45.7 173 -2.3 287 -2.3 0 0.0 0 0.0 12 53
240 A 246 VAL V E E Fik - 174 287 -140.8 134.9 177.8 -160.6 67.0 179.2 173 -1.8 175 -2.7 0 0.0 0 0.0 13 68
241 A 247 VAL V E E Fik - 175 288 -116.1 124.9 179.3 -169.3 13.1 165.4 287 -3.2 289 -2.5 0 0.0 0 0.0 15 71
242 A 248 ILE I E E Fik - 176 289 -120.0 124.8 171.5 -158.0 15.7 165.0 175 -2.7 177 -1.6 0 0.0 244 -0.7 12 80
243 A 249 SER S E E Fik - 177 290 -91.3 117.2 -180.0 -164.9 8.2 152.1 289 -2.0 291 -2.2 0 0.0 0 0.0 14 79
244 A 250 SER S e - 0 0 -80.9 -2.0 179.6 -30.9 68.4 59.1 177 -2.4 0 0.0 242 -0.7 0 0.0 15 68
245 A 251 GLY G S S S+ 0 0 156.5 143.2 178.9 56.5 112.7 126.6 0 0.0 179 -2.4 0 0.0 0 0.0 15 67
246 A 252 GLY G S S S+ 0 0 111.5 -41.5 178.6 100.7 76.4 100.9 0 0.0 0 0.0 0 0.0 0 0.0 10 61
247 A 253 VAL V S S S- 0 0 -78.5 142.7 -177.4 -93.4 87.8 127.5 0 0.0 0 0.0 0 0.0 0 0.0 11 67
248 A 254 SER S - 0 0 -59.8 136.7 176.7 -170.8 30.6 104.5 0 0.0 0 0.0 0 0.0 0 0.0 11 54
249 A 255 VAL V S S S- 0 0 -114.4 27.0 178.3 -37.3 86.1 95.8 0 0.0 0 0.0 0 0.0 0 0.0 13 48
250 A 256 GLY G S S S+ 0 0 148.8 -44.0 -179.8 108.0 108.4 96.9 0 0.0 0 0.0 0 0.0 0 0.0 10 38
251 A 257 GLU E S S S- 0 0 -68.0 130.1 -179.3 -115.7 72.1 117.4 0 0.0 0 0.0 0 0.0 0 0.0 6 28
252 A 258 ALA A + 0 0 -70.8 137.2 177.2 117.6 59.3 115.9 0 0.0 0 0.0 0 0.0 0 0.0 8 25
253 A 259 ASP D S h > TS- 0 0 -175.9 -176.1 -177.9 -66.3 81.3 156.0 0 0.0 257 -1.4 0 0.0 0 0.0 7 26
254 A 260 TYR Y H H > TS+ 0 0 -60.2 -31.6 -178.8 54.8 130.7 31.9 0 0.0 258 -1.7 0 0.0 0 0.0 7 31
255 A 261 THR T H H > TS+ 0 0 -69.9 -38.1 -179.4 53.9 103.9 26.0 0 0.0 259 -2.4 0 0.0 0 0.0 11 51
256 A 262 LYS K H H > TS+ 0 0 -65.5 -31.9 -179.5 49.6 108.4 31.8 0 0.0 260 -2.2 0 0.0 0 0.0 13 46
257 A 263 THR T H H X TS+ 0 0 -77.8 -31.7 176.5 51.0 108.9 30.3 253 -1.4 261 -1.6 0 0.0 0 0.0 9 34
258 A 264 ILE I H H X TS+ 0 0 -65.4 -44.6 177.4 50.1 110.9 18.1 254 -1.7 262 -2.3 0 0.0 0 0.0 11 48
259 A 265 LEU L H H X TS+ 0 0 -55.1 -46.5 -179.4 47.0 112.2 19.6 255 -2.4 263 -1.2 0 0.0 0 0.0 10 56
260 A 266 GLU E H H < TS+ 0 0 -68.9 -23.3 -179.6 50.3 113.4 41.4 256 -2.2 0 0.0 0 0.0 0 0.0 9 35
261 A 267 GLU E H H < TS+ 0 0 -86.1 -27.9 -178.3 43.7 112.3 38.6 257 -1.6 0 0.0 0 0.0 0 0.0 6 30
262 A 268 LEU L H H < TS- 0 0 -95.9 -9.5 179.5 -19.1 122.3 55.7 258 -2.3 0 0.0 0 0.0 0 0.0 9 42
263 A 269 GLY G S h < TS- 0 0 -178.4 175.9 179.3 -73.5 73.4 174.7 259 -1.2 265 -1.1 0 0.0 0 0.0 10 39
264 A 270 GLU E E E FL + 282 0 -89.6 96.8 -178.0 176.7 57.1 139.0 282 -1.5 282 -1.4 0 0.0 266 -0.5 9 34
265 A 271 ILE I E E FL - 281 0 -113.4 129.4 177.8 -149.7 20.9 155.2 263 -1.1 0 0.0 0 0.0 0 0.0 12 45
266 A 272 ALA A E E FL - 280 0 -91.8 138.6 178.5 -149.9 6.5 134.0 280 -3.7 280 -2.7 264 -0.5 268 -0.7 7 44
267 A 273 PHE F E E FL - 279 0 -112.2 105.2 -175.8 -163.6 23.0 155.2 0 0.0 0 0.0 0 0.0 0 0.0 10 49
268 A 274 TRP W E E FL - 278 0 -95.3 153.2 177.1 -153.3 21.9 123.4 278 -2.9 278 -1.3 266 -0.7 270 -0.6 13 47
269 A 275 LYS K E E FL - 277 0 -122.4 100.4 -177.5 -152.5 26.9 160.0 0 0.0 2 -3.2 0 0.0 0 0.0 9 40
270 A 276 LEU L B e a - 2 0 -82.9 137.8 178.0 -132.5 18.6 125.4 276 -3.7 272 -2.1 268 -0.6 0 0.0 14 49
271 A 277 ALA A S e S+ 0 0 -82.8 61.1 -179.6 106.8 74.8 115.7 2 -3.7 340 -3.2 0 0.0 0 0.0 13 39
272 A 278 ILE I E E Hm - 340 0 -136.4 164.6 177.4 -110.3 63.6 155.7 270 -2.1 0 0.0 0 0.0 0 0.0 13 53
273 A 279 LYS K E E Hm S+ 341 0 -150.0 135.6 -1.8 32.2 90.8 168.1 340 -2.4 342 -4.0 0 0.0 0 0.0 11 56
274 A 280 PRO P S S S+ 0 0 -73.6 -179.0 -178.6 7.8 126.5 48.9 0 0.0 0 0.0 0 0.0 0 0.0 12 54
275 A 281 GLY G - 0 0 80.6 -170.5 179.0 -171.4 50.6 104.2 0 0.0 0 0.0 0 0.0 0 0.0 13 55
276 A 282 LYS K e + 0 0 175.5 -54.4 -178.4 81.0 55.2 95.1 0 0.0 270 -3.7 0 0.0 0 0.0 12 53
277 A 283 PRO P E E FL + 269 0 -79.4 150.5 177.7 164.6 43.9 114.8 0 0.0 0 0.0 0 0.0 0 0.0 12 56
278 A 284 PHE F E E FL - 268 0 -164.1 123.1 178.6 -150.5 22.6 147.6 268 -1.3 268 -2.9 0 0.0 0 0.0 15 64
279 A 285 ALA A E E FLN + 267 290 -97.5 131.6 177.9 165.7 25.7 146.6 290 -2.2 290 -2.9 0 0.0 0 0.0 15 59
280 A 286 PHE F E E FLN + 266 289 -147.4 142.5 -179.8 114.7 10.4 174.0 266 -2.7 266 -3.7 0 0.0 0 0.0 13 64
281 A 287 GLY G E E FLN - 265 288 175.1 176.6 -178.4 -73.1 57.9 170.0 288 -1.6 288 -3.0 0 0.0 283 -0.5 11 52
282 A 288 LYS K E E FLN - 264 287 -98.1 124.4 174.9 -169.1 36.9 146.4 264 -1.4 264 -1.5 0 0.0 0 0.0 11 45
283 A 289 LEU L e - 0 0 -89.8 -167.3 -179.0 -79.3 49.6 101.5 286 -3.3 0 0.0 281 -0.5 0 0.0 12 44
284 A 290 SER S S S S+ 0 0 -63.0 -50.5 -178.0 1.7 122.7 17.5 0 0.0 0 0.0 0 0.0 0 0.0 7 33
285 A 291 ASN N S S S+ 0 0 -127.3 26.3 -178.4 37.0 129.1 83.1 0 0.0 0 0.0 0 0.0 0 0.0 9 36
286 A 292 SER S S e S- 0 0 -163.7 171.5 176.6 -99.5 75.6 166.9 0 0.0 283 -3.3 0 0.0 0 0.0 12 48
287 A 293 TRP W E E FkN - 240 282 -99.7 143.7 179.5 -145.8 36.0 144.0 239 -2.3 241 -3.2 0 0.0 0 0.0 11 61
288 A 294 PHE F E E FkN - 241 281 -115.3 138.2 177.4 -175.7 15.3 156.7 281 -3.0 281 -1.6 0 0.0 0 0.0 14 74
289 A 295 CYS C E E FkN - 242 280 -131.4 117.9 -180.0 -166.6 7.3 170.5 241 -2.5 243 -2.0 0 0.0 0 0.0 13 79
290 A 296 GLY G E E FkN - 243 279 -109.9 127.5 -177.2 -157.6 9.3 160.2 279 -2.9 279 -2.2 0 0.0 0 0.0 14 75
291 A 297 LEU L e - 0 0 -105.4 154.6 176.8 -102.9 22.2 133.0 243 -2.2 0 0.0 0 0.0 0 0.0 17 66
292 A 298 PRO P - 0 0 -66.9 157.6 -178.0 -121.0 30.8 107.8 0 0.0 0 0.0 0 0.0 0 0.0 15 58
293 A 299 GLY G S S S+ 0 0 -75.1 -25.8 -179.7 102.2 83.2 38.1 0 0.0 0 0.0 0 0.0 0 0.0 10 54
294 A 300 ASN N S h > TS- 0 0 -64.1 119.3 -179.6 -139.7 71.5 114.1 0 0.0 298 -3.4 0 0.0 0 0.0 10 48
295 A 301 PRO P H H > TS+ 0 0 -43.1 -57.2 -179.4 45.0 100.1 27.9 0 0.0 299 -2.7 0 0.0 0 0.0 11 47
296 A 302 VAL V H H > TS+ 0 0 -57.4 -49.4 179.4 45.0 117.2 22.0 365 -0.6 300 -2.6 0 0.0 0 0.0 12 51
297 A 303 SER S H H > TS+ 0 0 -63.0 -40.3 -179.4 50.8 113.1 32.0 0 0.0 301 -2.6 0 0.0 0 0.0 15 56
298 A 304 ALA A H H X TS+ 0 0 -64.4 -50.2 179.0 44.4 113.3 15.6 294 -3.4 302 -3.2 0 0.0 0 0.0 15 59
299 A 305 THR T H H X TS+ 0 0 -58.4 -50.6 -179.1 46.7 116.0 20.5 295 -2.7 303 -3.0 0 0.0 0 0.0 11 64
300 A 306 LEU L H H X TS+ 0 0 -58.7 -47.8 -177.8 47.1 114.7 19.4 296 -2.6 304 -2.7 0 0.0 0 0.0 10 71
301 A 307 THR T H H X >TS+ 0 0 -63.1 -42.4 179.1 47.9 113.3 24.0 297 -2.6 305 -2.1 0 0.0 306 -1.0 12 65
302 A 308 PHE F H H < >TS+ 0 0 -60.7 -46.0 -176.8 48.8 114.6 20.1 298 -3.2 307 -2.7 0 0.0 0 0.0 11 71
303 A 309 TYR Y H H < 5TS+ 0 0 -62.9 -41.3 -177.4 34.5 119.1 32.6 299 -3.0 0 0.0 0 0.0 0 0.0 9 68
304 A 310 GLN Q H H < 5TS+ 0 0 -92.6 -16.3 -178.8 18.1 135.2 51.7 300 -2.7 0 0.0 0 0.0 0 0.0 8 66
305 A 311 LEU L T h X 5TS+ 0 0 -120.4 -54.6 -179.2 41.3 124.3 43.0 301 -2.1 309 -1.6 0 0.0 0 0.0 9 66
306 A 312 VAL V H H > TS+ 0 0 -60.8 -36.5 178.9 54.7 111.9 26.9 0 0.0 312 -2.0 0 0.0 0 0.0 11 54
309 A 315 LEU L H H X TS+ 0 0 -61.1 -46.4 179.7 47.7 108.7 20.3 305 -1.6 313 -2.2 0 0.0 0 0.0 12 62
310 A 316 LEU L H H X TS+ 0 0 -62.1 -37.6 179.5 58.1 107.2 30.6 306 -2.8 314 -2.0 0 0.0 0 0.0 9 67
311 A 317 ALA A H H X >TS+ 0 0 -60.6 -45.6 179.1 42.6 109.5 24.6 307 -1.9 316 -1.1 0 0.0 315 -0.6 9 57
312 A 318 LYS K H H < >5TS+ 0 0 -66.8 -39.8 -178.7 54.7 112.6 24.5 308 -2.0 315 -1.0 0 0.0 0 0.0 13 53
313 A 319 LEU L H H < 35TS+ 0 0 -61.8 -36.0 -179.5 61.7 99.7 32.3 309 -2.2 18 -2.9 0 0.0 0 0.0 12 58
314 A 320 SER S H H < 35TS- 0 0 -64.9 -23.8 180.0 -113.3 114.6 43.6 310 -2.0 0 0.0 0 0.0 0 0.0 13 56
315 A 321 GLY G T h < <5T + 0 0 103.4 -1.9 178.3 150.9 64.0 65.3 312 -1.0 0 0.0 311 -0.6 0 0.0 12 48
316 A 322 ASN N t T - 0 0 -118.1 128.2 179.2 -119.1 23.0 162.2 0 0.0 339 -1.1 0 0.0 0 0.0 10 29
337 A 343 PRO P T T 3 TS+ 0 0 -60.6 147.6 -179.6 52.3 90.8 106.7 0 0.0 0 0.0 0 0.0 0 0.0 8 27
338 A 344 GLY G T T 3 TS+ 0 0 120.0 -40.2 -179.7 63.6 96.8 101.3 382 -1.5 0 0.0 0 0.0 0 0.0 8 28
339 A 345 ARG R S t < TS- 0 0 -122.8 141.1 176.1 -118.6 80.7 160.7 336 -1.1 341 -1.1 382 -0.5 0 0.0 12 39
340 A 346 LEU L E E Hm - 272 0 -75.0 102.1 -175.4 -147.6 40.8 130.9 271 -3.2 273 -2.4 0 0.0 342 -0.8 13 49
341 A 347 ASP D E E HmQ - 273 380 -86.2 110.2 178.5 -166.1 17.0 130.8 380 -1.5 380 -2.2 339 -1.1 343 -1.6 13 53
342 A 348 PHE F E E H Q + 0 379 -90.2 77.5 179.0 178.1 22.7 127.8 273 -4.0 0 0.0 340 -0.8 0 0.0 11 67
343 A 349 GLN Q E E H Q - 0 378 -76.8 160.9 178.3 -116.0 29.2 112.2 378 -1.8 378 -2.9 341 -1.6 0 0.0 12 66
344 A 350 ARG R E E H Q + 0 377 -101.8 131.6 179.5 167.3 42.4 151.0 0 0.0 360 -1.9 0 0.0 0 0.0 14 63
345 A 351 GLY G E E HRQ - 359 376 -132.0 -179.5 178.4 -116.2 36.4 136.1 376 -1.9 375 -2.2 0 0.0 376 -1.2 15 57
346 A 352 VAL V E E HR - 358 0 -126.3 107.6 179.7 -160.5 23.0 161.2 358 -2.5 358 -1.1 0 0.0 348 -0.6 13 49
347 A 353 LEU L E E HR + 357 0 -89.5 119.0 -179.7 152.3 28.5 143.0 0 0.0 0 0.0 0 0.0 0 0.0 12 48
348 A 354 GLN Q E E HR - 356 0 -144.8 164.1 -179.9 -94.3 47.8 161.1 356 -2.0 356 -1.7 346 -0.6 0 0.0 8 34
349 A 355 ARG R E E HR - 355 0 -82.0 133.3 -180.0 -147.0 40.2 132.4 0 0.0 0 0.0 0 0.0 0 0.0 9 24
350 A 356 ASN N e > T - 0 0 -88.4 -173.2 178.4 -84.0 36.7 99.4 354 -4.7 353 -1.6 0 0.0 0 0.0 8 19
351 A 357 ALA A T T 3 TS+ 0 0 -56.0 -47.6 180.0 55.9 131.4 21.9 0 0.0 0 0.0 0 0.0 0 0.0 5 12
352 A 358 ASP D T T 3 TS- 0 0 -73.6 21.2 -180.0 -108.8 123.3 80.3 0 0.0 0 0.0 0 0.0 0 0.0 5 12
353 A 359 GLY G S t < TS+ 0 0 58.2 22.1 179.4 137.8 78.0 44.6 350 -1.6 0 0.0 0 0.0 0 0.0 6 13
354 A 360 GLU E e - 0 0 -100.0 153.7 179.8 -114.2 56.2 133.6 0 0.0 350 -4.7 0 0.0 0 0.0 8 21
355 A 361 LEU L E E H R + 0 349 -84.0 144.7 -179.8 163.6 41.2 125.2 0 0.0 328 -0.7 0 0.0 0 0.0 10 35
356 A 362 GLU E E E HpR - 328 348 -165.0 142.3 -178.7 -123.6 29.9 161.4 348 -1.7 348 -2.0 0 0.0 0 0.0 13 43
357 A 363 VAL V E E HpR - 329 347 -95.1 142.7 177.4 -171.9 16.9 133.1 328 -1.4 330 -3.4 0 0.0 331 -0.5 15 51
358 A 364 THR T E E H R - 0 346 -126.0 137.5 178.6 -108.5 34.1 167.6 346 -1.1 346 -2.5 0 0.0 0 0.0 10 49
359 A 365 THR T E E H R - 0 345 -62.7 151.3 177.9 -133.1 18.7 107.8 0 0.0 0 0.0 0 0.0 0 0.0 13 50
360 A 366 THR T e - 0 0 -80.0 -11.0 -177.5 -100.3 57.3 52.9 344 -1.9 0 0.0 0 0.0 0 0.0 11 41
361 A 367 GLY G S S S+ 0 0 129.0 -147.4 179.8 24.2 88.1 165.8 0 0.0 0 0.0 0 0.0 0 0.0 5 34
362 A 368 HIS H - 0 0 -58.0 125.6 -178.0 -159.6 59.4 111.3 0 0.0 0 0.0 0 0.0 0 0.0 6 32
363 A 369 GLN Q + 0 0 -91.1 6.0 179.1 128.8 45.0 69.9 0 0.0 0 0.0 0 0.0 0 0.0 8 46
364 A 370 GLY G t > T - 0 0 -61.8 150.9 -178.7 -126.8 65.1 104.9 0 0.0 367 -1.0 0 0.0 0 0.0 6 35
365 A 371 SER S T T 3 TS+ 0 0 -83.2 11.5 -179.9 85.7 94.8 72.6 0 0.0 296 -0.6 0 0.0 0 0.0 10 34
366 A 372 HIS H T T 3 TS+ 0 0 -87.8 -9.4 179.0 53.5 88.3 55.3 0 0.0 0 0.0 0 0.0 0 0.0 6 28
367 A 373 ILE I t < T - 0 0 -125.6 150.4 -178.8 -161.5 59.4 160.4 364 -1.0 0 0.0 0 0.0 0 0.0 7 28
368 A 374 PHE F t > T + 0 0 -103.0 -15.3 -178.3 98.3 68.4 52.2 0 0.0 371 -2.1 0 0.0 0 0.0 9 37
369 A 375 SER S T h > > T + 0 0 -44.0 -35.7 -177.5 74.6 65.7 43.8 0 0.0 373 -2.6 0 0.0 372 -0.9 6 32
370 A 376 SER S H H > 3 TS+ 0 0 -56.7 -24.4 -179.9 57.1 90.7 42.0 0 0.0 374 -1.8 0 0.0 0 0.0 13 40
371 A 377 PHE F H H 4 < TS+ 0 0 -75.6 -34.4 179.0 39.8 112.7 30.6 368 -2.1 0 0.0 0 0.0 0 0.0 9 47
372 A 378 SER S H H 4 < TS+ 0 0 -77.1 -48.9 -178.9 44.0 120.0 21.0 369 -0.9 0 0.0 0 0.0 0 0.0 8 34
373 A 379 LEU L H H < TS+ 0 0 -66.5 -34.4 -179.0 66.6 109.9 32.5 369 -2.6 0 0.0 0 0.0 0 0.0 9 31
374 A 380 GLY G h < T - 0 0 -87.5 170.0 178.1 -170.7 52.4 108.0 370 -1.8 0 0.0 0 0.0 0 0.0 13 41
375 A 381 ASN N S e S+ 0 0 -139.3 11.2 -178.9 28.2 72.0 81.0 345 -2.2 398 -2.5 0 0.0 0 0.0 14 43
376 A 382 CYS C E E HQS S- 345 397 -163.3 169.8 176.8 -111.1 72.0 170.3 345 -1.2 345 -1.9 0 0.0 0 0.0 12 52
377 A 383 PHE F E E HQS - 344 396 -111.4 131.0 173.3 -146.9 18.9 161.1 396 -2.4 396 -3.4 0 0.0 379 -0.9 13 65
378 A 384 ILE I E E HQS - 343 395 -94.1 106.6 -177.2 -155.0 19.3 153.0 343 -2.9 343 -1.8 0 0.0 380 -1.3 14 66
379 A 385 VAL V E E HQ - 342 0 -89.8 87.5 -178.9 -166.2 10.0 132.2 394 -2.1 381 -0.6 377 -0.9 0 0.0 12 65
380 A 386 LEU L E E HQ - 341 0 -80.4 117.3 -179.2 -108.6 28.0 129.2 341 -2.2 341 -1.5 378 -1.3 0 0.0 12 52
381 A 387 GLU E t > T - 0 0 -44.5 143.9 -178.2 -112.5 26.7 90.2 379 -0.6 384 -0.6 0 0.0 0 0.0 8 40
382 A 388 ARG R T T 3 TS+ 0 0 -45.2 -58.5 -177.7 37.0 114.4 25.8 0 0.0 338 -1.5 0 0.0 339 -0.5 12 35
383 A 389 ASP D T T 3 TS+ 0 0 -73.8 -18.4 -177.6 114.3 92.7 47.1 0 0.0 0 0.0 0 0.0 0 0.0 9 28
384 A 390 ARG R t < T - 0 0 -59.6 139.4 178.4 -157.7 50.0 102.8 381 -0.6 0 0.0 0 0.0 0 0.0 10 29
385 A 391 GLY G - 0 0 -99.4 -162.3 179.8 -23.7 48.9 100.6 0 0.0 0 0.0 0 0.0 0 0.0 8 29
386 A 392 ASN N - 0 0 -44.9 143.7 -179.0 -136.0 64.1 92.2 0 0.0 388 -0.5 0 0.0 0 0.0 9 34
387 A 393 VAL V B B H - 333 0 -114.6 122.3 -179.9 -147.2 10.7 157.4 333 -2.8 333 -2.9 0 0.0 0 0.0 9 39
388 A 394 GLU E t > T - 0 0 -84.7 148.7 178.6 -83.9 38.0 123.1 386 -0.5 391 -1.8 0 0.0 0 0.0 9 26
389 A 395 VAL V T T 3 TS+ 0 0 -49.8 136.0 178.7 28.3 116.0 99.5 0 0.0 0 0.0 0 0.0 0 0.0 10 29
390 A 396 GLY G T T 3 TS+ 0 0 93.2 -6.3 -179.8 136.0 87.4 68.8 329 -3.4 0 0.0 0 0.0 0 0.0 8 27
391 A 397 GLU E e < T - 0 0 -75.5 151.8 179.3 -100.4 64.1 113.2 388 -1.8 329 -1.8 0 0.0 0 0.0 8 31
392 A 398 TRP W E E HO - 328 0 -73.1 132.0 -177.7 -179.8 50.4 123.9 0 0.0 0 0.0 0 0.0 0 0.0 8 36
393 A 399 VAL V E E HO - 327 0 -136.6 154.3 178.4 -117.9 30.1 159.9 327 -3.1 327 -3.5 0 0.0 0 0.0 11 49
394 A 400 GLU E E E HO - 326 0 -92.0 129.3 -179.9 -171.4 32.4 141.6 0 0.0 379 -2.1 0 0.0 0 0.0 11 50
395 A 401 VAL V E E HOS - 325 378 -125.3 137.7 178.3 -166.0 14.4 166.5 325 -2.5 325 -2.2 0 0.0 0 0.0 13 47
396 A 402 GLU E E E H S - 0 377 -121.5 103.4 -179.1 -135.1 24.5 156.4 377 -3.4 377 -2.4 0 0.0 0 0.0 12 47
397 A 403 PRO P E E H S - 0 376 -58.7 140.8 177.6 -105.3 27.4 104.2 0 0.0 0 0.0 0 0.0 0 0.0 11 45
398 A 404 PHE F e - 0 0 -62.3 144.7 175.6 -136.8 33.8 110.0 375 -2.5 0 0.0 0 0.0 0 0.0 10 42
399 A 405 ASN N g > T - 0 0 -91.4 -171.8 -176.3 -71.7 43.7 105.7 0 0.0 402 -1.9 0 0.0 0 0.0 6 37
400 A 406 ALA A G G > TS+ 0 0 -56.6 -24.0 -179.5 79.8 119.4 43.2 0 0.0 403 -1.4 0 0.0 0 0.0 5 28
401 A 407 LEU L G G 3 TS+ 0 0 -56.0 -27.2 178.8 28.4 108.5 37.8 0 0.0 0 0.0 0 0.0 0 0.0 7 37
402 A 408 PHE F G G < T 0 0 -117.0 10.1 177.7 999.9 999.9 74.4 399 -1.9 0 0.0 0 0.0 0 0.0 8 39
403 A 409 GLY G g < T 0 0 105.0 999.9 999.9 999.9 999.9 76.4 400 -1.4 0 0.0 0 0.0 0 0.0 6 26
1g8lA.pdb
1G8L METAL BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand B HHHHHHHHHHH EEEEEGGG TT BBSS EE SS BSSS EESSSEEEE HHHHHH S B EEEEEBTTB S TT EEEE TT B T Kabs/Sand
chirality --+++++++++++----+---+--++++++---+-----+--+-+-+--+-+--+--+++++-+--------+-++---+----++------++----+ chirality
bends SSSSSSSSSSS SSS SS SS SS SSSS SSSS SSSSSS S SS S SS SS S bends
turns TTTTTTTTTTTTT TTTTTTTT TTTTTTTT TTTT TTTT TTTT TT turns
5-turns 5-turns
3-turns >>3<< >>333<>33< >33< >33< >33< >3 3-turns
bridge-2 E EEEE ffff bridge-2
bridge-1 a AAAAA BC BB D CC DDD F f*fffG G DDD E bridge-1
sheets AAAAA BB CC DDDD DDDDD DDDD sheets
4-turns >>>>XXXXX<<<< >>>><<<< 4-turns
summary BhHHHHHHHHHHHh eEEEEEeGGgTTtBBSS EEeSS BSSS EEeSeEEEEhHHHHHHhS BeEEEEEBTTB S tTTtEEEEeTTtB tT summary
sequence LMSLDTALNEMLSRVTPLTAQETLPLVQCFGRILASDVVSPLDVPGFDNSAMDGYAVRLADIASGQPLPVAGKSFAGQPYHGEWPAGTCIRIMTGAPVPE sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand T EEEEGGGEEEETTEEEE S TTTTEE TTSSB TTSEEE TT B TTTHHHHHHTT EEEEE EEEEEEE TTEE TTS SS EE HH Kabs/Sand
chirality +++----+++--+-+----++----++++---++++--++--+--++--+-+++++++++-+-+-----------+--+-++---++-----++--++++ chirality
bends S SSSS SS S SS S SSSS SSS SS SS SSSSSSSSSSS SS SSS SS SS bends
turns TT TTTTT TTTT TTTTTT TTTT TTTT TTTT TTTTTTTTTTTTT TTTT TTTT TTT turns
5-turns >5555< 5-turns
3-turns 3< >>3<< >33< >3><3< >33< >33< >33< >>3<< >33< >33< 3-turns
bridge-2 F C iiii bridge-2
bridge-1 EEEE GGGG GGGG CC D B*B B AAAAA hhhhhhh jj jj bridge-1
sheets DDDD EEEE EEEE CC BBB AAAAA FFFFFFF GG GG sheets
4-turns >44>X>><<<< >>> 4-turns
summary Tt EEEEeTeEEEETTEEEEeS tTTTeEEtTTtSBtTTeEEEtTTtB tTThHHHHHHhTteEEEEEe eEEEEEEEeTeEEtTTt SS EEehHH summary
sequence GCEAVVMQEQTEQMDNGVRFTAEVRSGQNIRRRGEDISAGAVVFPAGTRLTTAELPVIASLGIAEVPVIRKVRVALFSTGDELQLPGQPLGDGQIYDTNR sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHTT EEEEEEEE S HHHHHHHHHHHHHH SEEEE SSS SSS SHHHHHHHHHSEEEEEEBSEES EEEEEE SSSEEEE SSHHHHHH Kabs/Sand
chirality +++++++++-+----+-----+-++++++++++++++-+-----++---+-+-++++++++--+------+-++-++-++---++-------+-++++++ chirality
bends SSSSSSSSSSS S SSSSSSSSSSSSSS S SSS SSS SSSSSSSSSSS S SS SSS SSSSSSSS bends
turns TTTTTTTTTTTT TTTTTTTTTTTTTTTT TTTTTTTTTTT TTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< 3-turns
bridge-2 kkkk NNNN NNNN bridge-2
bridge-1 hhhh*hhh iiii LLLLLLa mm LLLLLL kkkk bridge-1
sheets FFFFFFFF FFFF FFFFFF HH FFFFFF FFFF sheets
4-turns >XXXXX<<<< >>>>XXXXXXXX<<<< >>>>XXX<<<< >>>>XXX 4-turns
summary HHHHHHHHHhTtEEEEEEEE ShHHHHHHHHHHHHHHheEEEEeSSS SSS hHHHHHHHHHhEEEEEEeeEES eEEEEEEeSSeEEEEe ShHHHHHH summary
sequence LAVHLMLEQLGCEVINLGIIRDDPHALRAAFIEADSQADVVISSGGVSVGEADYTKTILEELGEIAFWKLAIKPGKPFAFGKLSNSWFCGLPGNPVSATL sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HHHHTHHHHHHHHHT S S EEEEESS B TTSEEEEEEEEEE TTS EEEEE S TT THHHH SEEEEE TT B TT EEEEEE G Kabs/Sand
chirality +++++++++++++-+-+-+------+---+---+--++---+-+--+---+-+-+-----+-+-++-++++++-+------++-----++---------+ chirality
bends SSSSSSSSSSSSSS S S SS SSS SSS S SS SSSS SS SS SS S bends
turns TTTTTTTTTTTTTTTT TTTT TTTT TTTTTTTTTTT TTTT TTTT TT turns
5-turns >>555<< >5555< 5-turns
3-turns >33< >33< >33< >33<>>3<< >33< >33< >> 3-turns
bridge-2 pp QQQQQ RRRRR SSS SSS bridge-2
bridge-1 OOOO H mm RRRRR pp QQQQQ H OOOO bridge-1
sheets HHHHH HHHHHHHHHH HHHHH HHHHH HHHHHH sheets
4-turns X<<>>XXX<<<< >>44<< 4-turns
summary HHHHhHHHHHHHHHht S S EEEEEeS B tTTtEEEEEEEEEEeTTteEEEEEeS tTTtthHHHHheEEEEEtTTt BtTTeEEEEEEegG summary
sequence TFYQLVQPLLAKLSGNTASGLPARQRVRTASRLKKTPGRLDFQRGVLQRNADGELEVTTTGHQGSHIFSSFSLGNCFIVLERDRGNVEVGEWVEVEPFNA sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand GG Kabs/Sand
chirality + chirality
bends S bends
turns TTT turns
5-turns 5-turns
3-turns 3<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns 4-turns
summary GGg summary
sequence LFG sequence