Secondary structure calculation program - copyright by David Keith Smith, 1989
1j58A.pdb
1J58 METAL BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 364
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 8 PRO P 0 0 999.9 151.6 179.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 26
2 A 9 GLN Q - 0 0 -132.7 145.3 179.8 -112.9 999.9 168.0 0 0.0 4 -2.6 0 0.0 0 0.0 8 28
3 A 10 PRO P S e S+ 0 0 -76.1 70.8 -179.9 127.6 72.5 114.3 0 0.0 10 -1.5 0 0.0 0 0.0 10 28
4 A 11 ILE I E E AA + 9 0 -131.7 133.2 178.9 175.6 32.2 174.3 2 -2.6 0 0.0 0 0.0 0 0.0 10 22
5 A 12 ARG R E E AA > T - 8 0 -137.9 104.5 -179.1 -54.5 67.2 154.8 8 -2.4 8 -2.2 0 0.0 0 0.0 7 20
6 A 13 GLY G T T 3 TS- 0 0 64.0 -125.2 179.4 -17.3 122.7 117.4 0 0.0 0 0.0 0 0.0 0 0.0 5 16
7 A 14 ASP D T T 3 TS+ 0 0 -96.9 14.1 179.3 92.0 122.7 77.3 0 0.0 0 0.0 0 0.0 0 0.0 5 13
8 A 15 LYS K E E AA < TS+ 5 0 -108.2 152.2 179.7 17.0 73.9 142.4 5 -2.2 5 -2.4 0 0.0 0 0.0 6 17
9 A 16 GLY G E E AA - 4 0 87.5 -173.1 -178.9 -130.1 65.9 108.5 0 0.0 0 0.0 0 0.0 0 0.0 8 19
10 A 17 ALA A e - 0 0 -168.5 170.2 179.1 -72.2 30.2 165.4 3 -1.5 0 0.0 0 0.0 0 0.0 7 17
11 A 18 THR T - 0 0 -73.1 153.7 178.5 -106.3 52.9 113.5 0 0.0 0 0.0 0 0.0 0 0.0 7 20
12 A 19 VAL V - 0 0 -82.0 128.6 -178.4 -177.7 34.8 135.4 0 0.0 0 0.0 0 0.0 0 0.0 7 21
13 A 20 LYS K + 0 0 -103.1 -14.1 -179.2 69.7 56.9 54.3 0 0.0 0 0.0 0 0.0 0 0.0 4 14
14 A 21 ILE I S S S- 0 0 -102.6 166.8 179.5 -72.9 101.1 124.3 0 0.0 0 0.0 0 0.0 0 0.0 4 12
15 A 22 PRO P - 0 0 -56.5 138.4 -176.2 -179.8 66.0 109.7 0 0.0 0 0.0 0 0.0 0 0.0 4 12
16 A 23 ARG R - 0 0 -139.4 174.2 179.4 -107.1 39.5 146.6 0 0.0 18 -0.9 0 0.0 0 0.0 5 18
17 A 24 ASN N h > T + 0 0 -105.8 88.2 -178.4 175.7 34.3 143.3 0 0.0 21 -2.0 0 0.0 0 0.0 6 18
18 A 25 ILE I H H > TS+ 0 0 -63.4 -36.7 179.9 58.3 75.3 30.8 16 -0.9 22 -2.2 0 0.0 0 0.0 7 20
19 A 26 GLU E H H > TS+ 0 0 -61.0 -44.1 179.8 42.3 110.4 23.7 0 0.0 23 -1.1 0 0.0 0 0.0 6 20
20 A 27 ARG R H H > TS+ 0 0 -71.3 -35.9 178.8 56.5 110.6 28.7 0 0.0 24 -1.3 0 0.0 0 0.0 7 29
21 A 28 ASP D H H < TS+ 0 0 -60.9 -39.0 179.4 52.1 105.7 25.5 17 -2.0 0 0.0 0 0.0 0 0.0 10 26
22 A 29 ARG R H H < TS+ 0 0 -66.6 -29.4 179.4 50.3 109.0 35.8 18 -2.2 0 0.0 0 0.0 0 0.0 8 27
23 A 30 GLN Q H H < TS+ 0 0 -80.5 -19.4 -178.8 47.8 113.0 45.1 19 -1.1 0 0.0 0 0.0 0 0.0 8 38
24 A 31 ASN N h < T + 0 0 -119.7 59.0 -179.6 150.9 62.1 115.9 20 -1.3 0 0.0 0 0.0 0 0.0 10 40
25 A 32 PRO P 0 0 -55.4 -40.5 -177.9 999.9 999.9 30.0 0 0.0 28 -1.8 0 0.0 0 0.0 9 36
26!A 33 ASP D 0 0 -83.8 999.9 999.9 999.9 999.9 68.9 0 0.0 0 0.0 0 0.0 0 0.0 10 41
27!A 35 LEU L 0 0 999.9 -37.4 178.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 8 34
28 A 36 VAL V - 0 0 -132.4 82.3 -179.8 -169.1 999.9 137.0 25 -1.8 0 0.0 0 0.0 0 0.0 9 33
29 A 37 PRO P - 0 0 -67.5 165.6 179.1 -84.3 34.8 97.8 0 0.0 0 0.0 0 0.0 0 0.0 9 38
30 A 38 PRO P t > T - 0 0 -67.5 153.6 179.8 -118.2 36.6 112.3 0 0.0 33 -1.6 0 0.0 0 0.0 7 30
31 A 39 GLU E T T 3 TS+ 0 0 -64.0 -22.1 -178.8 64.4 113.8 41.3 0 0.0 0 0.0 0 0.0 0 0.0 4 26
32 A 40 THR T T T 3 TS+ 0 0 -80.2 -8.4 178.4 105.4 76.5 58.3 0 0.0 0 0.0 0 0.0 0 0.0 5 27
33 A 41 ASP D t < T + 0 0 -71.7 144.2 -179.4 160.0 47.1 120.0 30 -1.6 0 0.0 0 0.0 0 0.0 10 32
34 A 42 HIS H B B A + 287 0 -166.7 146.5 177.5 17.4 25.2 164.7 287 -2.3 287 -2.7 0 0.0 0 0.0 8 24
35 A 43 GLY G S S S- 0 0 80.4 164.7 179.6 -46.4 87.3 80.6 0 0.0 0 0.0 0 0.0 0 0.0 8 22
36 A 44 THR T + 0 0 -74.4 127.4 178.4 170.2 58.0 124.7 0 0.0 0 0.0 0 0.0 0 0.0 6 22
37 A 45 VAL V - 0 0 -138.1 136.0 -179.8 -111.1 34.3 174.9 0 0.0 0 0.0 0 0.0 0 0.0 8 32
38 A 46 SER S 0 0 -63.3 160.0 178.8 999.9 999.9 100.2 0 0.0 0 0.0 0 0.0 0 0.0 4 33
39!A 47 ASN N 0 0 -68.3 999.9 999.9 999.9 999.9 120.5 0 0.0 0 0.0 0 0.0 0 0.0 6 42
40!A 49 LYS K 0 0 999.9 138.1 177.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 11 56
41 A 50 PHE F B B B - 297 0 -157.5 135.4 -178.4 -136.1 999.9 160.2 297 -1.8 297 -3.2 0 0.0 0 0.0 10 49
42 A 51 SER S g > T - 0 0 -98.2 138.8 178.0 -142.6 11.4 138.1 0 0.0 45 -1.8 0 0.0 0 0.0 10 48
43 A 52 PHE F G G > TS+ 0 0 -63.2 -26.8 179.6 67.9 103.8 37.2 0 0.0 46 -1.7 0 0.0 0 0.0 12 41
44 A 53 SER S G G 3 TS+ 0 0 -66.6 -15.3 179.1 60.4 92.6 47.8 0 0.0 0 0.0 0 0.0 0 0.0 5 34
45 A 54 ASP D G G < TS+ 0 0 -98.0 21.5 179.5 86.9 94.6 84.2 42 -1.8 0 0.0 0 0.0 0 0.0 6 30
46 A 55 THR T S g < TS- 0 0 -122.8 155.2 178.3 -99.2 86.5 150.9 43 -1.7 0 0.0 0 0.0 0 0.0 9 28
47 A 56 HIS H - 0 0 -68.7 131.1 -180.0 -140.6 36.7 120.7 0 0.0 49 -0.6 0 0.0 0 0.0 6 26
48 A 57 ASN N - 0 0 -101.9 117.1 179.6 -143.9 5.2 150.3 0 0.0 50 -0.8 0 0.0 0 0.0 8 28
49 A 58 ARG R E E BB - 56 0 -80.8 112.7 -179.2 -158.4 19.9 134.5 56 -2.6 56 -1.6 47 -0.6 0 0.0 7 27
50 A 59 LEU L E E BB + 55 0 -97.4 134.0 179.9 168.2 17.2 141.6 48 -0.8 0 0.0 0 0.0 0 0.0 7 26
51 A 60 GLU E E E BB > T - 54 0 -135.7 166.9 177.4 -84.8 49.7 151.3 54 -2.7 54 -1.8 0 0.0 53 -1.1 8 28
52 A 61 LYS K T T 3 TS+ 0 0 -74.7 105.3 -179.3 26.4 123.2 131.4 0 0.0 0 0.0 0 0.0 0 0.0 7 28
53 A 62 GLY G T e 3 TS- 0 0 123.9 -8.5 179.3 -41.3 129.3 73.1 51 -1.1 77 -3.1 0 0.0 0 0.0 12 35
54 A 63 GLY G E E BBC< T - 51 76 157.5 -156.0 179.1 -91.8 59.5 178.8 51 -1.8 51 -2.7 0 0.0 0 0.0 12 42
55 A 64 TYR Y E E BB* - 50 0 -154.4 169.3 179.5 -157.4 14.8 165.5 75 -1.7 0 0.0 0 0.0 0 0.0 10 40
56 A 65 ALA A E E BB* + 49 0 -156.3 131.7 178.0 176.7 9.0 161.5 49 -1.6 49 -2.6 0 0.0 0 0.0 10 48
57 A 66 ARG R E E B C - 0 74 -133.8 150.3 -176.4 -153.2 15.2 165.4 74 -1.8 74 -2.9 0 0.0 0 0.0 11 43
58 A 67 GLU E E E B C - 0 73 -132.5 154.7 176.6 -156.3 18.0 156.4 0 0.0 0 0.0 0 0.0 0 0.0 12 51
59 A 68 VAL V E E B C + 0 72 -125.3 112.2 -178.0 156.9 36.2 168.2 72 -2.5 72 -2.4 0 0.0 0 0.0 15 50
60 A 69 THR T t > > T - 0 0 -125.0 -172.9 179.9 -77.6 61.7 126.0 0 0.0 64 -3.1 0 0.0 63 -2.2 15 50
61 A 70 VAL V T T 4 3 TS+ 0 0 -62.6 -16.7 179.4 65.9 126.7 46.4 147 -2.5 0 0.0 0 0.0 0 0.0 13 40
62 A 71 ARG R T T 4 3 TS+ 0 0 -78.3 -16.8 178.4 29.0 114.6 47.2 0 0.0 0 0.0 0 0.0 0 0.0 7 32
63 A 72 GLU E T T 4 < TS+ 0 0 -105.9 -42.9 -178.9 29.2 134.8 41.4 60 -2.2 0 0.0 0 0.0 0 0.0 7 37
64 A 73 LEU L t < > T - 0 0 -126.4 87.4 -179.1 -172.8 68.5 143.9 60 -3.1 67 -1.6 0 0.0 0 0.0 11 44
65 A 74 PRO P T T 3 TS+ 0 0 -49.0 -36.4 -178.5 64.8 79.4 43.0 0 0.0 0 0.0 0 0.0 0 0.0 9 32
66 A 75 ILE I T T 3 TS+ 0 0 -64.1 -29.3 -179.4 73.2 88.7 35.4 0 0.0 68 -1.5 0 0.0 0 0.0 9 37
67 A 76 SER S t < T + 0 0 -89.7 81.8 -178.9 150.0 52.9 127.9 64 -1.6 0 0.0 0 0.0 0 0.0 12 46
68 A 77 GLU E S S S+ 0 0 -84.4 -20.3 -176.8 45.1 70.8 45.7 66 -1.5 147 -1.8 0 0.0 0 0.0 10 40
69 A 78 ASN N S S S+ 0 0 -103.4 -8.3 -178.9 44.7 111.2 57.7 0 0.0 0 0.0 0 0.0 0 0.0 9 47
70 A 79 LEU L + 0 0 -141.7 141.6 179.0 177.3 53.7 176.8 0 0.0 0 0.0 0 0.0 0 0.0 15 58
71 A 80 ALA A E E B D - 0 144 -135.9 160.7 -177.8 -149.6 14.3 157.8 144 -2.0 144 -2.8 0 0.0 0 0.0 17 62
72 A 81 SER S E E BCD - 59 143 -141.0 152.1 178.4 -160.3 9.7 166.4 59 -2.4 59 -2.5 0 0.0 0 0.0 11 70
73 A 82 VAL V E E BCD 58 142 -129.9 133.0 176.7 999.9 999.9 174.0 142 -1.9 142 -3.1 0 0.0 0 0.0 10 66
74!A 83 ASN N E E BC 57 0 -101.3 999.9 999.9 999.9 999.9 158.6 57 -2.9 57 -1.8 0 0.0 0 0.0 11 54
75!A 85 ARG R E E B* 0 0 999.9 134.7 178.7 999.9 999.9 999.9 0 0.0 55 -1.7 0 0.0 0 0.0 10 52
76 A 86 LEU L E E BCC - 54 138 -131.1 135.6 178.6 -134.7 999.9 174.0 138 -3.3 138 -2.8 0 0.0 0 0.0 15 52
77 A 87 LYS K e > T - 0 0 -78.7 164.6 -179.9 -61.6 55.5 111.5 53 -3.1 80 -2.1 0 0.0 0 0.0 12 39
78 A 88 PRO P T T 3 TS+ 0 0 -51.1 125.8 179.4 0.6 125.1 103.3 0 0.0 0 0.0 0 0.0 0 0.0 12 39
79 A 89 GLY G T T 3 TS+ 0 0 80.6 -15.7 -178.9 143.3 96.1 77.1 133 -1.1 0 0.0 134 -0.5 0 0.0 15 40
80 A 90 ALA A e < T - 0 0 -60.8 144.9 -177.9 -139.8 40.4 104.4 77 -2.1 133 -2.0 0 0.0 0 0.0 17 42
81 A 91 ILE I E E BEF - 191 132 -115.7 133.9 174.3 -147.1 12.3 154.0 191 -3.1 191 -2.1 0 0.0 83 -0.9 14 50
82 A 92 ARG R E E BEF - 190 131 -92.1 109.5 -177.2 -106.2 51.1 152.4 131 -3.3 131 -1.3 0 0.0 0 0.0 11 60
83 A 93 GLU E E E B * - 0 0 -43.2 137.7 177.4 -89.4 35.5 88.1 189 -2.2 0 0.0 81 -0.9 0 0.0 12 46
84 A 94 LEU L E E B * S+ 0 0 -47.3 128.3 -177.3 138.1 72.2 102.9 0 0.0 157 -2.5 0 0.0 0 0.0 10 44
85 A 95 HIS H E E BGF - 156 129 -162.9 178.7 177.5 -149.3 37.4 160.8 129 -2.4 129 -2.7 0 0.0 0 0.0 11 44
86 A 96 TRP W E E BG - 155 0 -153.7 166.1 177.8 -166.4 10.4 160.9 155 -1.7 155 -3.1 0 0.0 0 0.0 12 44
87 A 97 HIS H E E BG - 154 0 -152.5 169.3 -179.7 -108.1 36.5 164.7 0 0.0 126 -2.5 0 0.0 0 0.0 12 45
88 A 98 LYS K S e S+ 0 0 -69.7 -32.1 -178.1 75.5 96.4 33.5 153 -0.9 0 0.0 0 0.0 0 0.0 8 33
89 A 99 GLU E S S S- 0 0 -83.7 153.3 176.3 -115.8 85.5 115.7 0 0.0 0 0.0 0 0.0 0 0.0 12 43
90 A 100 ALA A e - 0 0 -79.8 151.3 -178.7 -141.0 34.4 125.9 0 0.0 145 -1.5 0 0.0 0 0.0 13 56
91 A 101 GLU E E E BHI - 123 144 -125.2 131.2 179.4 -176.5 19.4 166.2 123 -2.4 123 -2.9 0 0.0 0 0.0 13 66
92 A 102 TRP W E E BHI - 122 143 -120.1 145.0 179.9 -171.7 11.8 158.1 143 -2.7 143 -3.0 0 0.0 0 0.0 13 74
93 A 103 ALA A E E BHI 121 142 -144.1 152.2 178.0 999.9 999.9 171.4 121 -2.2 121 -1.1 0 0.0 0 0.0 10 79
94!A 104 TYR Y E E B I 0 141 -128.0 999.9 999.9 999.9 999.9 174.9 141 -2.1 141 -2.2 0 0.0 0 0.0 11 65
95!A 106 ILE I E E B I 0 140 999.9 -44.0 -179.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 10 45
96 A 107 TYR Y E E B I - 0 139 -134.4 143.6 177.6 -15.9 999.9 169.6 139 -2.4 139 -2.1 0 0.0 0 0.0 9 37
97 A 108 GLY G E E B I S- 0 138 74.3 -145.5 -179.5 -84.9 76.9 112.2 0 0.0 117 -0.6 0 0.0 0 0.0 12 35
98 A 109 SER S E E BJ* - 116 0 -160.7 163.5 -179.6 -171.4 33.2 168.3 137 -1.9 134 -2.0 0 0.0 0 0.0 14 48
99 A 110 ALA A E E BJI - 115 133 -159.5 158.6 178.0 -120.5 23.7 172.6 115 -1.9 115 -3.2 0 0.0 0 0.0 13 60
100 A 111 ARG R E E BJI - 114 132 -104.9 134.0 179.2 -165.8 30.1 153.5 132 -3.2 132 -2.1 0 0.0 0 0.0 13 62
101 A 112 VAL V E E BJI - 113 131 -118.8 152.3 176.4 -163.9 5.3 150.8 113 -2.6 113 -1.7 0 0.0 0 0.0 12 64
102 A 113 THR T E E BJI + 112 130 -130.8 152.6 177.6 169.4 11.2 162.9 130 -1.5 130 -1.5 0 0.0 0 0.0 11 55
103 A 114 ILE I E E BJI - 111 129 -161.2 140.1 178.8 -161.4 15.2 160.3 111 -1.4 111 -2.6 0 0.0 0 0.0 12 56
104 A 115 VAL V E E BJ - 110 0 -125.3 132.3 -179.0 -141.6 19.9 174.3 128 -1.4 0 0.0 0 0.0 0 0.0 12 45
105 A 116 ASP D e > T - 0 0 -88.2 -177.5 -178.5 -89.1 33.8 102.5 109 -2.5 108 -1.9 0 0.0 0 0.0 10 38
106 A 117 GLU E T T 3 TS+ 0 0 -69.0 -3.6 179.3 56.3 125.5 59.7 0 0.0 0 0.0 0 0.0 0 0.0 6 27
107 A 118 LYS K T T 3 TS- 0 0 -109.3 7.7 179.3 -105.3 120.2 73.1 0 0.0 0 0.0 0 0.0 0 0.0 6 21
108 A 119 GLY G S t < TS+ 0 0 78.6 19.1 179.7 142.1 73.0 46.4 105 -1.9 0 0.0 0 0.0 0 0.0 7 24
109 A 120 ARG R e - 0 0 -96.0 134.9 -178.9 -146.0 38.3 142.1 0 0.0 105 -2.5 0 0.0 0 0.0 12 29
110 A 121 SER S E E BJ - 104 0 -105.5 149.3 178.7 -169.6 13.7 139.6 0 0.0 0 0.0 0 0.0 0 0.0 13 39
111 A 122 PHE F E E BJ + 103 0 -134.7 123.4 179.5 175.0 9.1 174.1 103 -2.6 103 -1.4 0 0.0 0 0.0 12 46
112 A 123 ILE I E E BJ + 102 0 -131.5 131.1 -178.0 151.0 13.9 178.2 0 0.0 0 0.0 0 0.0 0 0.0 11 49
113 A 124 ASP D E E BJ - 101 0 -157.9 159.3 178.6 -112.3 41.0 173.0 101 -1.7 101 -2.6 0 0.0 0 0.0 9 45
114 A 125 ASP D E E BJ - 100 0 -98.9 139.6 -178.5 -157.3 26.4 144.0 0 0.0 0 0.0 0 0.0 0 0.0 9 53
115 A 126 VAL V E E BJ - 99 0 -120.2 126.4 -179.9 -173.8 11.3 164.6 99 -3.2 99 -1.9 0 0.0 0 0.0 12 53
116 A 127 GLY G E E BJ > T - 98 0 -110.3 -177.8 -179.9 -53.1 43.7 119.2 0 0.0 119 -2.4 0 0.0 0 0.0 9 40
117 A 128 GLU E T e 3 TS+ 0 0 -57.2 128.8 -179.9 20.8 126.9 108.3 97 -0.6 0 0.0 0 0.0 0 0.0 9 38
118 A 129 GLY G T e 3 TS+ 0 0 94.2 -7.9 179.8 117.7 100.4 71.0 0 0.0 219 -0.6 0 0.0 220 -0.6 9 45
119 A 130 ASP D E E B K< T - 0 218 -91.9 161.9 -179.6 -155.2 46.6 122.3 116 -2.4 0 0.0 0 0.0 0 0.0 12 47
120 A 131 LEU L E E B K - 0 217 -128.5 168.7 173.6 -164.6 7.8 142.1 217 -2.7 217 -2.2 0 0.0 0 0.0 12 62
121 A 132 TRP W E E BHK - 93 216 -149.3 156.5 179.1 -162.1 3.1 164.2 93 -1.1 93 -2.2 0 0.0 0 0.0 12 64
122 A 133 TYR Y E E BH - 92 0 -145.4 123.6 -179.7 -165.6 2.0 161.8 215 -2.1 0 0.0 0 0.0 0 0.0 12 68
123 A 134 PHE F E E BH - 91 0 -114.8 114.2 179.8 -127.8 23.8 162.1 91 -2.9 91 -2.4 0 0.0 0 0.0 12 61
124 A 135 PRO P t > T - 0 0 -56.4 152.5 -179.8 -75.3 46.0 100.1 0 0.0 127 -1.8 0 0.0 0 0.0 10 55
125 A 136 SER S T T 3 TS+ 0 0 -51.3 137.7 177.9 9.6 115.0 99.0 0 0.0 0 0.0 0 0.0 0 0.0 10 39
126 A 137 GLY G T T 3 TS+ 0 0 77.6 -11.8 179.9 127.9 89.3 73.8 87 -2.5 0 0.0 0 0.0 0 0.0 9 39
127 A 138 LEU L t < T - 0 0 -83.3 129.1 -179.3 -119.8 61.1 132.9 124 -1.8 0 0.0 0 0.0 0 0.0 12 44
128 A 139 PRO P e + 0 0 -69.4 139.4 -178.5 159.2 43.2 113.6 0 0.0 104 -1.4 0 0.0 0 0.0 11 43
129 A 140 HIS H E E BFI - 85 103 -151.9 174.0 179.5 -157.5 23.2 156.9 85 -2.7 85 -2.4 0 0.0 0 0.0 12 52
130 A 141 SER S E E B*I - 0 102 -152.2 163.9 179.0 -147.0 8.2 163.4 102 -1.5 102 -1.5 0 0.0 0 0.0 12 61
131 A 142 ILE I E E BFI - 82 101 -138.2 135.6 177.6 -177.9 11.5 176.7 82 -1.3 82 -3.3 0 0.0 0 0.0 12 72
132 A 143 GLN Q E E BFI - 81 100 -138.0 118.7 -179.0 -131.3 24.2 164.1 100 -2.1 100 -3.2 0 0.0 0 0.0 12 54
133 A 144 ALA A E E B I - 0 99 -67.6 148.8 178.7 -140.2 20.3 109.3 80 -2.0 79 -1.1 0 0.0 0 0.0 18 55
134 A 145 LEU L E E B *> T - 0 0 -92.8 -159.3 -175.5 -56.2 48.8 93.2 98 -2.0 137 -1.8 0 0.0 79 -0.5 14 44
135 A 146 GLU E E E B *3 TS+ 0 0 -59.4 -20.2 179.5 46.5 134.8 49.7 0 0.0 0 0.0 0 0.0 0 0.0 8 34
136 A 147 GLU E E E B *3 TS- 0 0 -98.3 -4.6 -177.0 -129.2 106.8 59.7 0 0.0 0 0.0 0 0.0 0 0.0 9 33
137 A 148 GLY G E E B *< T - 0 0 82.1 -169.5 -179.9 -110.4 27.9 114.2 134 -1.8 98 -1.9 0 0.0 0 0.0 16 41
138 A 149 ALA A E E BCI - 76 97 -162.8 149.1 176.0 -171.5 25.6 170.4 76 -2.8 76 -3.3 0 0.0 0 0.0 15 48
139 A 150 GLU E E E B I + 0 96 -144.4 125.9 -175.9 160.7 26.0 163.6 96 -2.1 96 -2.4 0 0.0 0 0.0 10 53
140 A 151 PHE F E E B I - 0 95 -144.2 167.6 179.5 -115.4 37.4 155.5 0 0.0 0 0.0 0 0.0 0 0.0 10 60
141 A 152 LEU L E E B I - 0 94 -109.1 127.4 178.6 -164.0 26.4 157.5 94 -2.2 94 -2.1 0 0.0 0 0.0 10 66
142 A 153 LEU L E E BDI - 73 93 -109.9 143.7 178.2 -165.4 1.1 151.0 73 -3.1 73 -1.9 0 0.0 0 0.0 11 74
143 A 154 VAL V E E BDI - 72 92 -131.3 128.2 -179.1 -163.5 2.7 176.3 92 -3.0 92 -2.7 0 0.0 0 0.0 11 71
144 A 155 PHE F E E BDI - 71 91 -112.1 141.9 -177.6 -123.7 25.6 153.0 71 -2.8 71 -2.0 0 0.0 146 -1.2 13 60
145 A 156 ASP D S e S+ 0 0 -82.7 44.9 175.4 64.7 90.6 97.9 90 -1.5 0 0.0 0 0.0 0 0.0 13 54
146 A 157 ASP D t > T - 0 0 -159.5 120.2 -179.1 -148.9 67.6 147.6 144 -1.2 149 -1.7 0 0.0 0 0.0 10 48
147 A 158 GLY G T T 3 TS+ 0 0 -65.1 -21.4 -179.6 65.1 96.8 42.7 68 -1.8 61 -2.5 0 0.0 0 0.0 12 48
148 A 159 SER S T T 3 TS+ 0 0 -82.3 4.5 179.1 146.4 71.0 66.7 0 0.0 0 0.0 0 0.0 0 0.0 11 32
149 A 160 PHE F t < T + 0 0 -42.1 131.2 -179.2 132.6 22.5 96.6 146 -1.7 0 0.0 0 0.0 0 0.0 11 40
150 A 161 SER S g > T - 0 0 -157.2 -154.0 -179.7 -54.4 69.2 136.0 0 0.0 153 -0.8 0 0.0 0 0.0 7 42
151 A 162 GLU E G G > TS+ 0 0 -72.2 -34.1 180.0 57.5 127.1 34.3 0 0.0 154 -0.8 0 0.0 0 0.0 5 32
152 A 163 ASN N G G 3 TS+ 0 0 -77.7 4.7 180.0 68.6 97.4 66.4 0 0.0 0 0.0 0 0.0 0 0.0 6 23
153 A 164 SER S G e < TS+ 0 0 -92.3 -28.6 -176.7 67.9 89.3 40.7 150 -0.8 88 -0.9 0 0.0 0 0.0 9 39
154 A 165 THR T E E BG < T - 87 0 -108.5 127.8 -179.7 -163.4 58.5 147.6 151 -0.8 156 -0.6 0 0.0 0 0.0 10 45
155 A 166 PHE F E E BG - 86 0 -105.0 119.2 179.4 -154.1 13.0 153.7 86 -3.1 86 -1.7 0 0.0 0 0.0 10 36
156 A 167 GLN Q E E >BG T - 85 0 -95.9 141.0 179.4 -131.7 17.2 138.9 154 -0.6 160 -2.4 0 0.0 0 0.0 12 38
157 A 168 LEU L H H > TS+ 0 0 -52.0 -53.6 -178.4 41.4 108.2 22.4 84 -2.5 161 -2.0 0 0.0 0 0.0 10 37
158 A 169 THR T H H > TS+ 0 0 -70.3 -26.1 179.0 56.1 111.7 38.9 0 0.0 162 -2.0 0 0.0 0 0.0 12 34
159 A 170 ASP D H H > TS+ 0 0 -71.7 -39.0 179.1 49.8 107.4 26.5 0 0.0 163 -0.8 0 0.0 0 0.0 10 33
160 A 171 TRP W H H < > TS+ 0 0 -62.4 -50.5 -179.7 44.7 113.8 16.3 156 -2.4 163 -1.0 0 0.0 0 0.0 9 33
161 A 172 LEU L H H < > TS+ 0 0 -62.8 -36.2 -179.6 57.8 108.1 29.8 157 -2.0 164 -1.5 0 0.0 0 0.0 10 34
162 A 173 ALA A H H < 3 TS+ 0 0 -68.0 -18.0 -179.7 44.6 111.0 45.5 158 -2.0 0 0.0 0 0.0 0 0.0 11 27
163 A 174 HIS H T h < < TS+ 0 0 -115.3 26.1 178.2 88.4 96.6 88.2 160 -1.0 0 0.0 159 -0.8 0 0.0 6 23
164 A 175 THR T S t < TS- 0 0 -122.1 134.8 -180.0 -97.4 90.9 167.0 161 -1.5 0 0.0 0 0.0 0 0.0 8 26
165 A 176 PRO P h > > T - 0 0 -52.9 134.5 180.0 -131.3 28.1 104.6 0 0.0 169 -2.1 0 0.0 168 -0.8 7 24
166 A 177 LYS K H H > 3 TS+ 0 0 -54.8 -40.7 -179.6 55.5 108.0 28.6 0 0.0 170 -2.7 0 0.0 0 0.0 8 28
167 A 178 GLU E H H > 3 TS+ 0 0 -64.2 -29.3 179.2 49.6 107.7 35.9 0 0.0 171 -1.8 0 0.0 0 0.0 8 22
168 A 179 VAL V H H > < TS+ 0 0 -76.0 -41.6 178.9 47.4 111.1 26.9 165 -0.8 172 -2.4 0 0.0 0 0.0 8 22
169 A 180 ILE I H H X TS+ 0 0 -63.8 -43.7 -179.9 51.1 112.6 21.7 165 -2.1 173 -1.7 0 0.0 0 0.0 11 28
170 A 181 ALA A H H X >TS+ 0 0 -58.7 -46.4 -179.9 44.6 112.9 22.6 166 -2.7 175 -2.1 0 0.0 174 -1.4 12 23
171 A 182 ALA A H H < 5TS+ 0 0 -66.9 -35.9 -179.0 59.1 108.4 30.3 167 -1.8 0 0.0 0 0.0 0 0.0 9 18
172 A 183 ASN N H H < 5TS+ 0 0 -62.3 -36.8 -178.5 28.6 118.3 30.4 168 -2.4 0 0.0 0 0.0 0 0.0 7 17
173 A 184 PHE F H H < 5TS- 0 0 -103.5 -7.1 179.9 -115.2 108.1 59.8 169 -1.7 0 0.0 0 0.0 0 0.0 6 19
174 A 185 GLY G T h < 5TS+ 0 0 76.4 33.1 179.5 117.1 75.8 32.9 170 -1.4 0 0.0 0 0.0 0 0.0 6 14
175 A 186 VAL V t T - 0 0 -92.8 160.1 179.4 -116.8 29.2 124.6 0 0.0 180 -0.6 0 0.0 0 0.0 9 18
177 A 188 LYS K T g 4 > TS+ 0 0 -61.7 -33.8 179.8 58.8 117.9 30.2 0 0.0 180 -1.0 0 0.0 0 0.0 10 22
178 A 189 GLU E G G 4 > TS+ 0 0 -62.8 -38.1 -180.0 59.5 97.5 28.9 0 0.0 181 -1.4 0 0.0 0 0.0 5 18
179 A 190 GLU E G G 4 3 TS+ 0 0 -64.9 -19.6 179.9 37.4 113.5 46.3 0 0.0 0 0.0 0 0.0 0 0.0 7 19
180 A 191 ILE I G G < X TS+ 0 0 -118.6 20.3 -179.3 112.2 79.9 83.0 177 -1.0 183 -1.6 176 -0.6 0 0.0 10 26
181 A 192 SER S T g < TS+ 0 0 -65.4 -21.6 -178.8 60.4 73.5 42.7 178 -1.4 0 0.0 0 0.0 0 0.0 6 24
182 A 193 ASN N T T 3 TS+ 0 0 -89.1 4.8 178.8 129.2 72.4 67.2 0 0.0 0 0.0 0 0.0 0 0.0 5 21
183 A 194 LEU L S t < TS- 0 0 -57.8 143.8 179.9 -89.1 73.5 107.3 180 -1.6 0 0.0 0 0.0 0 0.0 8 29
184 A 195 PRO P - 0 0 -54.9 144.5 179.5 -145.5 25.5 101.0 0 0.0 0 0.0 0 0.0 0 0.0 7 28
185 A 196 GLY G S S S+ 0 0 -86.0 -17.9 179.6 23.0 83.5 48.6 0 0.0 0 0.0 0 0.0 0 0.0 6 21
186 A 197 LYS K S S S- 0 0 -142.7 161.3 -179.7 -85.8 95.5 161.1 0 0.0 0 0.0 0 0.0 0 0.0 7 25
187 A 198 GLU E - 0 0 -65.4 161.8 179.2 -152.1 23.1 100.9 0 0.0 0 0.0 0 0.0 0 0.0 10 32
188 A 199 LYS K + 0 0 -100.7 -43.0 179.6 176.1 19.3 36.6 0 0.0 190 -2.5 0 0.0 0 0.0 7 39
189 A 200 TYR Y S e S+ 0 0 71.0 -68.6 177.0 11.1 74.8 113.6 0 0.0 83 -2.2 0 0.0 0 0.0 7 47
190 A 201 ILE I E E BE S+ 82 0 -137.8 130.4 179.8 169.6 81.4 171.8 188 -2.5 0 0.0 0 0.0 0 0.0 12 48
191 A 202 PHE F E E BE - 81 0 -148.8 148.0 -179.6 -105.6 35.0 179.1 81 -2.1 81 -3.1 0 0.0 0 0.0 13 41
192 A 203 GLU E + 0 0 -67.2 148.0 179.6 163.2 44.9 110.2 0 0.0 0 0.0 0 0.0 0 0.0 10 35
193 A 204 ASN N - 0 0 -162.4 157.0 179.2 -85.5 42.3 169.1 0 0.0 0 0.0 0 0.0 0 0.0 7 33
194 A 205 GLN Q - 0 0 -65.4 149.2 178.8 -91.8 58.7 109.7 0 0.0 0 0.0 0 0.0 0 0.0 6 26
195 A 206 LEU L - 0 0 -59.0 145.7 179.9 -115.7 48.0 106.9 0 0.0 0 0.0 0 0.0 0 0.0 10 32
196 A 207 PRO P - 0 0 -80.0 171.3 178.7 -110.4 25.8 106.9 0 0.0 0 0.0 0 0.0 0 0.0 6 37
197 A 208 GLY G - 0 0 -83.7 -163.4 179.8 -44.1 60.9 90.0 0 0.0 0 0.0 0 0.0 0 0.0 6 26
198 A 209 SER S h > > T - 0 0 -65.6 148.0 -179.6 -119.5 53.3 108.2 0 0.0 201 -1.0 0 0.0 202 -0.6 6 24
199 A 210 LEU L H H > > TS+ 0 0 -54.0 -46.6 -179.2 60.8 111.0 25.3 0 0.0 202 -1.9 0 0.0 203 -1.3 10 28
200 A 211 LYS K H H 4 3 TS+ 0 0 -53.6 -32.2 -179.8 54.0 101.7 35.9 0 0.0 0 0.0 0 0.0 0 0.0 5 18
201 A 212 ASP D H H 4 < TS+ 0 0 -78.6 -14.5 -179.9 52.3 106.6 49.9 198 -1.0 0 0.0 0 0.0 0 0.0 6 18
202 A 213 ASP D H H < < TS+ 0 0 -92.5 -22.9 -179.1 115.9 77.7 46.1 199 -1.9 0 0.0 198 -0.6 0 0.0 8 26
203 A 214 ILE I h < T - 0 0 -51.7 126.8 179.7 -149.8 55.6 103.7 199 -1.3 0 0.0 0 0.0 0 0.0 8 28
204 A 215 VAL V - 0 0 -107.2 129.7 -180.0 -146.6 2.5 153.6 0 0.0 0 0.0 0 0.0 0 0.0 5 26
205 A 216 GLU E + 0 0 -90.3 150.9 -179.7 178.6 22.6 128.4 0 0.0 0 0.0 0 0.0 0 0.0 6 23
206 A 217 GLY G t > T - 0 0 -151.1 162.8 -180.0 -116.0 43.4 168.6 0 0.0 209 -1.0 0 0.0 0 0.0 7 19
207 A 218 PRO P T T 3 TS+ 0 0 -75.5 -5.7 -178.5 67.0 108.9 57.7 0 0.0 0 0.0 0 0.0 0 0.0 4 16
208 A 219 ASN N T T 3 TS- 0 0 -90.8 -14.0 179.6 -135.0 99.6 53.4 0 0.0 0 0.0 0 0.0 0 0.0 7 18
209 A 220 GLY G t < T - 0 0 89.7 -177.9 -179.4 -36.6 36.5 105.7 206 -1.0 0 0.0 0 0.0 0 0.0 7 21
210 A 221 GLU E - 0 0 -83.5 150.4 179.2 -97.4 67.1 120.1 0 0.0 0 0.0 0 0.0 0 0.0 7 24
211 A 222 VAL V - 0 0 -66.2 145.4 -179.7 -126.3 29.4 113.1 0 0.0 0 0.0 0 0.0 0 0.0 9 31
212 A 223 PRO P S S S+ 0 0 -59.1 -43.2 -178.7 21.6 90.1 29.5 0 0.0 0 0.0 0 0.0 0 0.0 4 26
213 A 224 TYR Y S S S- 0 0 -133.9 144.2 -179.8 -107.6 86.1 168.9 0 0.0 0 0.0 0 0.0 0 0.0 6 34
214 A 225 PRO P - 0 0 -67.3 148.4 179.9 -147.3 13.7 108.5 0 0.0 0 0.0 0 0.0 0 0.0 9 44
215 A 226 PHE F S e S+ 0 0 -98.4 4.1 178.2 65.1 79.4 69.2 0 0.0 122 -2.1 0 0.0 0 0.0 9 55
216 A 227 THR T E E BK - 121 0 -123.9 158.0 -178.3 -162.7 63.6 151.5 0 0.0 0 0.0 0 0.0 0 0.0 10 55
217 A 228 TYR Y E E BK - 120 0 -146.5 130.8 179.6 -139.0 20.2 170.0 120 -2.2 120 -2.7 0 0.0 219 -1.4 9 49
218 A 229 ARG R E E >BK > T + 119 0 -89.6 88.3 -178.0 177.7 27.5 133.7 0 0.0 221 -1.1 0 0.0 222 -0.7 9 41
219 A 230 LEU L G e 4 > TS+ 0 0 -59.3 -44.7 -178.3 52.4 73.3 28.7 217 -1.4 222 -0.6 118 -0.6 0 0.0 11 47
220 A 231 LEU L G G 4 3 TS+ 0 0 -74.3 -4.4 179.9 71.0 96.0 59.0 118 -0.6 0 0.0 0 0.0 0 0.0 9 37
221 A 232 GLU E G G 4 < TS+ 0 0 -79.1 -38.2 -179.6 77.6 84.3 28.9 218 -1.1 0 0.0 0 0.0 0 0.0 5 26
222 A 233 GLN Q S g < < TS- 0 0 -69.3 162.4 179.1 -92.8 96.9 102.0 218 -0.7 0 0.0 219 -0.6 0 0.0 7 26
223 A 234 GLU E - 0 0 -76.7 125.9 180.0 -141.4 45.3 128.9 0 0.0 0 0.0 0 0.0 0 0.0 6 22
224 A 235 PRO P - 0 0 -86.4 163.4 176.9 -95.6 26.0 116.4 0 0.0 226 -0.8 0 0.0 0 0.0 9 32
225 A 236 ILE I E E CL - 232 0 -75.5 113.6 -178.5 -152.2 48.9 134.8 232 -2.8 232 -2.0 0 0.0 227 -0.6 8 33
226 A 237 GLU E E E CL + 231 0 -99.7 117.7 179.3 172.6 20.9 147.0 224 -0.8 0 0.0 0 0.0 0 0.0 8 29
227 A 238 SER S e - 0 0 -108.9 -179.0 -179.2 -96.3 47.2 119.7 230 -2.7 0 0.0 225 -0.6 0 0.0 10 32
228 A 239 GLU E S S S+ 0 0 -69.6 -35.6 -179.0 34.3 121.5 31.1 0 0.0 0 0.0 0 0.0 0 0.0 7 27
229 A 240 GLY G S e S- 0 0 -102.2 3.3 -180.0 -41.3 128.8 66.2 363 -1.5 254 -3.2 0 0.0 0 0.0 11 35
230 A 241 GLY G E E C M - 0 253 168.4 -162.3 -179.4 -85.6 59.6 173.0 0 0.0 227 -2.7 0 0.0 0 0.0 13 38
231 A 242 LYS K E E CLM - 226 252 -144.0 155.7 -179.5 -150.4 16.9 168.1 252 -1.4 252 -2.5 0 0.0 0 0.0 13 42
232 A 243 VAL V E E CLM - 225 251 -131.6 128.5 178.9 -165.1 2.7 172.9 225 -2.0 225 -2.8 0 0.0 234 -0.6 12 45
233 A 244 TYR Y E E C M - 0 250 -112.1 116.9 -179.1 -161.9 16.4 163.7 250 -2.2 250 -2.7 0 0.0 0 0.0 13 46
234 A 245 ILE I E E C M + 0 249 -107.5 136.5 178.3 178.0 14.1 147.1 232 -0.6 0 0.0 0 0.0 0 0.0 11 56
235 A 246 ALA A E E C M + 0 248 -137.0 109.9 178.0 136.6 21.5 158.2 248 -2.8 248 -2.4 0 0.0 0 0.0 12 52
236 A 247 ASP D S t > > TS- 0 0 -135.9 -171.9 -177.9 -70.3 71.3 135.9 0 0.0 240 -2.9 0 0.0 239 -1.6 15 54
237 A 248 SER S T T 4 3 TS+ 0 0 -63.6 -8.9 179.6 68.6 122.5 53.0 0 0.0 0 0.0 0 0.0 0 0.0 14 39
238 A 249 THR T T T 4 3 TS+ 0 0 -81.0 -24.6 178.5 9.2 122.9 40.2 0 0.0 0 0.0 0 0.0 0 0.0 8 30
239 A 250 ASN N T T 4 < TS+ 0 0 -120.4 -39.5 176.9 50.4 131.6 47.9 236 -1.6 241 -1.2 0 0.0 0 0.0 6 38
240 A 251 PHE F S t < > TS- 0 0 -100.7 79.1 -176.0 -166.8 82.1 137.3 236 -2.9 243 -1.8 0 0.0 0 0.0 9 45
241 A 252 LYS K T T 3 TS+ 0 0 -39.6 -45.5 -178.6 50.0 75.2 44.4 239 -1.2 0 0.0 0 0.0 0 0.0 10 34
242 A 253 VAL V T T 3 TS+ 0 0 -73.8 -20.2 -177.7 92.6 84.5 43.0 0 0.0 244 -2.8 0 0.0 0 0.0 10 42
243 A 254 SER S t < T + 0 0 -74.2 64.2 -177.6 150.1 46.7 109.0 240 -1.8 0 0.0 0 0.0 0 0.0 14 49
244 A 255 LYS K + 0 0 -70.7 -28.7 -178.8 35.0 69.6 40.6 242 -2.8 0 0.0 0 0.0 0 0.0 10 43
245 A 256 THR T S S S+ 0 0 -108.7 2.8 179.1 61.0 112.5 66.3 0 0.0 0 0.0 0 0.0 0 0.0 11 50
246 A 257 ILE I - 0 0 -135.8 123.9 177.4 -177.3 53.4 168.1 0 0.0 0 0.0 0 0.0 0 0.0 15 58
247 A 258 ALA A E E C N - 0 321 -112.7 140.7 -177.8 -176.0 19.6 156.9 321 -2.8 321 -2.7 0 0.0 0 0.0 17 58
248 A 259 SER S E E CMN - 235 320 -141.6 161.3 178.4 -167.2 20.9 161.5 235 -2.4 235 -2.8 0 0.0 0 0.0 12 72
249 A 260 ALA A E E CMN - 234 319 -148.9 129.4 177.8 -148.7 14.0 166.6 319 -1.5 319 -2.4 0 0.0 251 -0.7 11 66
250 A 261 LEU L E E CMN - 233 318 -98.8 118.7 -178.5 -164.1 25.1 154.7 233 -2.7 233 -2.2 0 0.0 0 0.0 11 61
251 A 262 VAL V E E CMN - 232 317 -112.5 131.3 177.8 -169.6 12.9 154.9 317 -3.2 317 -2.3 249 -0.7 0 0.0 13 62
252 A 263 THR T E E CMN - 231 316 -117.7 126.1 -179.1 -171.5 5.4 167.2 231 -2.5 231 -1.4 0 0.0 254 -0.5 11 55
253 A 264 VAL V E E CMN - 230 315 -121.4 117.0 -179.7 -139.9 15.9 166.1 315 -3.3 315 -3.2 0 0.0 0 0.0 15 50
254 A 265 GLU E e > T - 0 0 -70.0 161.0 179.4 -77.6 41.8 104.3 229 -3.2 257 -2.0 252 -0.5 0 0.0 11 37
255 A 266 PRO P T T 3 TS+ 0 0 -58.5 139.7 -179.8 23.4 123.4 110.9 0 0.0 0 0.0 0 0.0 0 0.0 12 32
256 A 267 GLY G T T 3 T 0 0 81.2 5.3 -180.0 999.9 999.9 58.2 0 0.0 0 0.0 0 0.0 0 0.0 7 29
257!A 268 ALA A t < T 0 0 -114.9 999.9 999.9 999.9 999.9 128.7 254 -2.0 309 -2.0 0 0.0 0 0.0 11 36
258!A 270 ARG R 0 0 999.9 121.5 -176.9 999.9 999.9 999.9 0 0.0 307 -1.6 0 0.0 0 0.0 10 59
259 A 271 GLU E - 0 0 -58.4 165.8 178.5 -78.2 999.9 87.9 362 -2.5 0 0.0 0 0.0 0 0.0 12 50
260 A 272 LEU L S e S+ 0 0 -65.7 126.2 -179.0 127.6 76.3 119.3 0 0.0 331 -2.0 0 0.0 0 0.0 11 41
261 A 273 HIS H E E DOD - 330 305 -164.4 179.4 176.0 -145.0 40.2 160.7 305 -2.4 305 -2.3 0 0.0 0 0.0 11 43
262 A 274 TRP W E E DO - 329 0 -152.1 167.5 -179.7 -112.8 22.8 161.6 329 -1.5 329 -2.6 0 0.0 0 0.0 10 44
263 A 275 HIS H - 0 0 -112.7 122.0 -179.7 -164.8 13.7 160.3 0 0.0 303 -1.1 0 0.0 0 0.0 12 44
264 A 276 PRO P S S S+ 0 0 -82.3 2.1 -178.5 48.5 84.5 66.8 0 0.0 0 0.0 0 0.0 0 0.0 9 29
265 A 277 ASN N S S S- 0 0 -110.3 -48.2 -178.7 -34.1 111.8 33.3 0 0.0 0 0.0 0 0.0 0 0.0 8 31
266 A 278 THR T S S S- 0 0 -162.0 -175.8 180.0 -52.0 70.8 157.6 0 0.0 303 -0.5 0 0.0 0 0.0 11 41
267 A 279 HIS H - 0 0 -67.5 154.1 177.6 -132.2 45.9 106.4 0 0.0 0 0.0 0 0.0 0 0.0 12 53
268 A 280 GLU E E E CP - 300 0 -113.7 129.8 178.4 -166.5 15.8 160.4 300 -2.8 300 -3.0 0 0.0 0 0.0 12 65
269 A 281 TRP W E E CPQ - 299 320 -111.4 137.9 -178.0 -161.2 14.8 157.2 320 -2.7 320 -3.4 0 0.0 0 0.0 13 71
270 A 282 GLN Q E E CPQ - 298 319 -127.1 150.2 174.5 -170.7 18.7 157.3 298 -2.9 298 -2.5 0 0.0 0 0.0 11 79
271 A 283 TYR Y E E CPQ - 297 318 -135.0 126.5 -179.9 -142.4 19.7 172.2 318 -1.4 318 -2.6 0 0.0 273 -0.8 11 62
272 A 284 TYR Y E E C Q + 0 317 -93.2 111.9 -179.1 179.8 18.1 142.9 296 -2.5 0 0.0 295 -1.3 0 0.0 15 57
273 A 285 ILE I E E C * - 0 0 -76.2 -46.7 179.1 -15.3 66.2 22.3 316 -1.7 0 0.0 271 -0.8 0 0.0 12 52
274 A 286 SER S E E C Q S+ 0 316 -155.9 159.5 179.5 35.6 99.0 172.4 316 -1.9 316 -2.6 0 0.0 0 0.0 11 44
275 A 287 GLY G S e S- 0 0 94.2 -173.5 -179.6 -79.5 74.4 112.2 0 0.0 294 -1.3 0 0.0 0 0.0 13 41
276 A 288 LYS K E E ER + 293 0 -134.2 143.1 -178.7 162.9 47.4 170.6 0 0.0 310 -1.6 0 0.0 311 -0.6 13 47
277 A 289 ALA A E E ERS 292 309 -150.5 174.4 174.8 999.9 999.9 155.6 292 -2.9 292 -2.3 0 0.0 0 0.0 12 55
278!A 290 ARG R E E E S 0 308 -143.5 999.9 999.9 999.9 999.9 168.4 308 -1.5 308 -2.5 0 0.0 0 0.0 12 59
279!A 292 THR T 0 0 999.9 128.8 178.1 999.9 999.9 999.9 0 0.0 281 -0.6 0 0.0 0 0.0 10 49
280 A 293 VAL V E E FT - 288 0 -104.1 124.6 179.6 -151.1 999.9 156.0 288 -2.6 288 -1.8 0 0.0 282 -0.7 10 50
281 A 294 PHE F E E FT - 287 0 -97.4 113.2 -176.6 -178.2 14.0 150.5 304 -3.1 0 0.0 279 -0.6 0 0.0 10 40
282 A 295 ALA A E E F* - 0 0 -97.4 11.7 -179.8 -108.3 42.3 76.5 286 -2.2 0 0.0 280 -0.7 0 0.0 9 36
283 A 296 SER S E E FT > TS+ 286 0 81.2 165.5 179.1 63.1 92.2 85.4 286 -0.6 286 -1.2 0 0.0 0 0.0 6 26
284 A 297 ASP D T T 3 TS- 0 0 49.1 48.9 178.5 -53.1 132.5 27.3 0 0.0 0 0.0 0 0.0 0 0.0 4 16
285 A 298 GLY G T T 3 TS+ 0 0 64.1 22.8 179.3 134.1 104.1 44.5 0 0.0 0 0.0 0 0.0 0 0.0 8 20
286 A 299 HIS H E E FT < T + 283 0 -108.5 130.0 179.5 147.8 19.1 155.1 283 -1.2 282 -2.2 0 0.0 283 -0.6 12 27
287 A 300 ALA A E E FTA - 281 34 -159.3 141.1 179.6 -174.9 18.0 165.1 34 -2.7 34 -2.3 0 0.0 0 0.0 15 34
288 A 301 ARG R E E FT - 280 0 -143.6 138.5 -179.1 -140.4 15.9 176.6 280 -1.8 280 -2.6 0 0.0 0 0.0 12 39
289 A 302 THR T - 0 0 -101.1 139.3 -179.9 -172.2 18.5 141.4 0 0.0 0 0.0 0 0.0 0 0.0 11 47
290 A 303 PHE F - 0 0 -128.3 152.3 177.5 -138.0 15.3 158.4 0 0.0 0 0.0 0 0.0 0 0.0 9 56
291 A 304 ASN N - 0 0 -108.4 148.1 179.8 -175.9 22.7 148.4 0 0.0 0 0.0 0 0.0 0 0.0 12 51
292 A 305 TYR Y E E ER + 277 0 -142.6 152.5 176.1 169.5 8.2 168.3 277 -2.3 277 -2.9 0 0.0 0 0.0 14 57
293 A 306 GLN Q E E ER - 276 0 -153.6 170.7 -178.0 -38.7 53.9 160.2 0 0.0 0 0.0 0 0.0 0 0.0 11 49
294 A 307 ALA A S e S+ 0 0 2.6 -123.0 -179.7 19.8 126.4 63.6 275 -1.3 0 0.0 0 0.0 0 0.0 9 45
295 A 308 GLY G S S S+ 0 0 -20.7 -94.9 -179.7 122.6 91.8 41.9 0 0.0 272 -1.3 0 0.0 0 0.0 11 48
296 A 309 ASP D e - 0 0 23.5 131.4 176.6 -139.4 52.2 36.8 0 0.0 272 -2.5 0 0.0 0 0.0 12 52
297 A 310 VAL V E E CPB - 271 41 -106.9 139.4 179.3 -170.6 23.7 151.1 41 -3.2 41 -1.8 0 0.0 0 0.0 14 62
298 A 311 GLY G E E CP - 270 0 -125.6 172.7 -179.6 -160.6 5.1 141.4 270 -2.5 270 -2.9 0 0.0 0 0.0 11 71
299 A 312 TYR Y E E CP - 269 0 -157.5 145.8 178.2 -168.8 13.2 171.1 0 0.0 0 0.0 0 0.0 0 0.0 11 62
300 A 313 VAL V E E CP - 268 0 -137.5 102.9 179.9 -131.9 28.5 152.6 268 -3.0 268 -2.8 0 0.0 0 0.0 9 60
301 A 314 PRO P - 0 0 -54.8 149.9 -179.9 -63.6 50.2 99.3 0 0.0 0 0.0 0 0.0 0 0.0 8 49
302 A 315 PHE F 0 0 -38.1 124.4 177.9 999.9 999.9 88.9 0 0.0 0 0.0 0 0.0 0 0.0 9 38
303!A 316 ALA A 0 0 70.8 999.9 999.9 999.9 999.9 69.3 263 -1.1 0 0.0 266 -0.5 0 0.0 9 35
304!A 318 GLY G 0 0 999.9 145.2 179.9 999.9 999.9 999.9 0 0.0 281 -3.1 0 0.0 0 0.0 9 45
305 A 319 HIS H B B D - 261 0 -164.2 172.4 178.3 -164.5 999.9 168.9 261 -2.3 261 -2.4 0 0.0 0 0.0 11 51
306 A 320 TYR Y - 0 0 -155.6 162.4 178.2 -137.3 18.9 159.1 0 0.0 0 0.0 0 0.0 0 0.0 10 55
307 A 321 VAL V - 0 0 -134.4 107.1 -178.7 -166.4 20.9 155.8 258 -1.6 0 0.0 0 0.0 0 0.0 10 67
308 A 322 GLU E E E ES - 278 0 -98.6 134.2 178.1 -129.6 20.6 141.2 278 -2.5 278 -1.5 0 0.0 310 -0.6 9 51
309 A 323 ASN N E E ES + 277 0 -79.0 119.4 179.5 175.4 27.7 134.7 257 -2.0 0 0.0 0 0.0 0 0.0 15 48
310 A 324 ILE I e + 0 0 -112.4 22.8 179.8 76.7 53.2 84.6 276 -1.6 0 0.0 308 -0.6 0 0.0 9 40
311 A 325 GLY G S S S- 0 0 -122.5 -177.7 -179.5 -115.1 83.1 128.0 276 -0.6 0 0.0 0 0.0 0 0.0 11 34
312 A 326 ASP D S S S+ 0 0 -95.9 -9.3 179.6 66.1 94.3 57.7 0 0.0 0 0.0 0 0.0 0 0.0 5 22
313 A 327 GLU E S S S- 0 0 -108.6 164.2 179.5 -78.7 100.9 132.7 0 0.0 0 0.0 0 0.0 0 0.0 8 27
314 A 328 PRO P - 0 0 -60.0 147.5 178.4 -132.0 42.3 106.1 0 0.0 316 -0.5 0 0.0 0 0.0 12 37
315 A 329 LEU L E E CN - 253 0 -104.2 124.2 -179.2 -176.7 26.8 156.7 253 -3.2 253 -3.3 0 0.0 0 0.0 16 47
316 A 330 VAL V E E CNQ + 252 274 -127.4 123.3 180.0 150.2 12.6 168.6 274 -2.6 274 -1.9 314 -0.5 273 -1.7 12 57
317 A 331 PHE F E E CNQ - 251 272 -147.9 163.2 179.6 -122.3 36.4 165.0 251 -2.3 251 -3.2 0 0.0 0 0.0 12 65
318 A 332 LEU L E E CNQ - 250 271 -108.7 142.1 177.3 -155.7 12.1 149.7 271 -2.6 271 -1.4 0 0.0 320 -0.5 12 71
319 A 333 GLU E E E CNQ - 249 270 -116.3 119.4 -177.9 -170.3 19.4 170.4 249 -2.4 249 -1.5 0 0.0 0 0.0 12 73
320 A 334 ILE I E E CNQ - 248 269 -117.7 140.1 -179.3 -176.7 7.9 156.6 269 -3.4 269 -2.7 318 -0.5 0 0.0 11 71
321 A 335 PHE F E E CN - 247 0 -136.0 137.8 178.0 -133.0 29.0 175.0 247 -2.7 247 -2.8 0 0.0 323 -1.6 13 61
322 A 336 LYS K S S S+ 0 0 -89.2 85.1 -179.6 88.8 75.6 132.4 0 0.0 0 0.0 0 0.0 0 0.0 12 57
323 A 337 ASP D S S S- 0 0 -165.5 169.5 -179.6 -104.2 87.0 164.0 321 -1.6 0 0.0 0 0.0 0 0.0 11 47
324 A 338 ASP D S S S+ 0 0 -88.0 6.6 179.3 30.7 99.6 68.9 0 0.0 0 0.0 0 0.0 0 0.0 12 37
325 A 339 HIS H S S S- 0 0 -160.4 155.5 177.8 -120.2 73.3 173.6 0 0.0 0 0.0 0 0.0 0 0.0 9 33
326 A 340 TYR Y + 0 0 -95.7 141.6 179.0 165.6 38.8 141.5 0 0.0 0 0.0 0 0.0 0 0.0 11 45
327 A 341 ALA A + 0 0 -158.8 140.2 178.3 169.1 8.7 164.7 0 0.0 0 0.0 0 0.0 0 0.0 7 47
328 A 342 ASP D - 0 0 -148.9 158.1 177.8 -137.9 25.3 167.8 0 0.0 0 0.0 0 0.0 0 0.0 8 50
329 A 343 VAL V E E DO - 262 0 -120.8 122.8 179.8 -143.4 21.4 172.7 262 -2.6 262 -1.5 0 0.0 0 0.0 10 35
330 A 344 SER S E E >DO T - 261 0 -88.0 130.1 179.4 -147.1 4.7 138.4 0 0.0 334 -2.6 0 0.0 0 0.0 12 34
331 A 345 LEU L H H > TS+ 0 0 -59.7 -46.6 -179.9 48.5 101.1 21.1 260 -2.0 335 -2.2 0 0.0 0 0.0 9 38
332 A 346 ASN N H H > TS+ 0 0 -58.3 -55.7 -178.9 43.9 113.9 16.4 0 0.0 336 -2.4 0 0.0 0 0.0 11 36
333 A 347 GLN Q H H 4 TS+ 0 0 -59.5 -39.5 179.3 56.8 110.9 28.8 0 0.0 0 0.0 0 0.0 0 0.0 12 33
334 A 348 TRP W H H < TS+ 0 0 -56.2 -56.1 -179.3 39.3 112.2 15.0 330 -2.6 0 0.0 0 0.0 0 0.0 9 34
335 A 349 LEU L H H < T 0 0 -64.7 -34.4 -179.8 999.9 999.9 31.8 331 -2.2 0 0.0 0 0.0 0 0.0 8 36
336!A 350 ALA A h < T 0 0 -64.8 999.9 999.9 999.9 999.9 40.2 332 -2.4 0 0.0 0 0.0 0 0.0 11 33
337!A 352 LEU L 0 0 999.9 160.1 179.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 26
338 A 353 PRO P h > > T - 0 0 -56.5 132.5 -178.9 -130.6 999.9 108.4 0 0.0 342 -2.0 0 0.0 341 -0.5 6 24
339 A 354 GLU E H H > 3 TS+ 0 0 -53.1 -46.1 -179.4 48.7 105.8 27.9 0 0.0 343 -2.3 0 0.0 0 0.0 9 26
340 A 355 THR T H H > 3 TS+ 0 0 -67.4 -28.5 179.6 55.8 108.1 36.3 0 0.0 344 -1.9 0 0.0 0 0.0 6 21
341 A 356 PHE F H H > < TS+ 0 0 -69.1 -43.3 179.1 44.8 109.9 24.0 338 -0.5 345 -1.1 0 0.0 0 0.0 8 20
342 A 357 VAL V H H X TS+ 0 0 -66.9 -40.6 179.0 53.1 111.9 25.1 338 -2.0 346 -2.4 0 0.0 0 0.0 11 27
343 A 358 GLN Q H H X >TS+ 0 0 -61.0 -38.5 180.0 56.5 104.2 27.7 339 -2.3 347 -1.8 0 0.0 348 -0.7 12 23
344 A 359 ALA A H H < 5TS+ 0 0 -62.7 -32.3 179.8 44.2 111.5 34.5 340 -1.9 0 0.0 0 0.0 0 0.0 8 18
345 A 360 HIS H H H < 5TS+ 0 0 -77.3 -50.2 -176.3 35.0 120.7 22.1 341 -1.1 0 0.0 0 0.0 0 0.0 6 19
346 A 361 LEU L H H < 5TS- 0 0 -85.7 -9.6 -178.6 -129.4 94.7 57.0 342 -2.4 0 0.0 0 0.0 0 0.0 6 24
347 A 362 ASP D T h < 5TS+ 0 0 60.7 34.0 178.6 122.3 70.8 31.1 343 -1.8 0 0.0 0 0.0 0 0.0 6 15
348 A 363 LEU L t > T - 0 0 -99.5 -165.7 -179.4 -75.0 40.1 98.8 0 0.0 353 -1.6 0 0.0 352 -1.5 7 20
350 A 365 LYS K H H > 3 TS+ 0 0 -61.7 -26.6 180.0 72.6 119.7 40.2 0 0.0 354 -2.0 0 0.0 0 0.0 8 22
351 A 366 ASP D H H 4 3 TS+ 0 0 -60.6 -28.0 179.2 39.4 104.8 36.2 0 0.0 0 0.0 0 0.0 0 0.0 7 18
352 A 367 PHE F H H 4 X TS+ 0 0 -86.7 -51.1 -179.5 49.7 113.8 23.0 349 -1.5 355 -1.9 0 0.0 0 0.0 8 26
353 A 368 THR T H H < > TS+ 0 0 -61.0 -21.0 179.1 68.0 100.9 41.8 349 -1.6 356 -0.8 0 0.0 0 0.0 11 27
354 A 369 ASP D T h < 3 TS+ 0 0 -70.2 -20.6 -179.3 55.3 95.6 43.1 350 -2.0 0 0.0 0 0.0 0 0.0 6 24
355 A 370 VAL V T T < TS+ 0 0 -87.6 -10.6 -179.3 111.7 83.0 53.4 352 -1.9 0 0.0 0 0.0 0 0.0 6 27
356 A 371 LEU L t < T - 0 0 -66.3 143.1 -178.8 -145.4 57.6 109.8 353 -0.8 0 0.0 0 0.0 0 0.0 10 32
357 A 372 SER S - 0 0 -117.2 131.3 179.8 -158.2 16.4 159.6 0 0.0 0 0.0 0 0.0 0 0.0 8 31
358 A 373 LYS K S S S+ 0 0 -77.9 -12.6 178.6 79.5 80.4 52.7 0 0.0 0 0.0 0 0.0 0 0.0 8 23
359 A 374 GLU E S S S- 0 0 -96.2 139.2 -179.9 -119.6 88.5 142.1 0 0.0 0 0.0 0 0.0 0 0.0 5 26
360 A 375 LYS K - 0 0 -84.1 124.6 179.0 -175.9 27.0 133.0 0 0.0 0 0.0 0 0.0 0 0.0 8 33
361 A 376 HIS H - 0 0 -120.5 94.3 -179.6 -168.4 6.0 152.1 0 0.0 0 0.0 0 0.0 0 0.0 9 42
362 A 377 PRO P S S S+ 0 0 -50.5 -40.4 -179.5 36.0 77.6 35.8 0 0.0 259 -2.5 0 0.0 0 0.0 11 52
363 A 378 VAL V 0 0 -123.4 123.7 -178.9 999.9 999.9 168.3 0 0.0 229 -1.5 0 0.0 0 0.0 12 50
364 A 379 VAL V 0 0 -115.0 999.9 999.9 999.9 999.9 141.5 0 0.0 0 0.0 0 0.0 0 0.0 10 39
1j58A.pdb
1J58 METAL BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SEETTEE S HHHHHH TT BS B GGGS EEETTEEEEEE TTT TT SS EEEEEE TT EEEEEEESS EEEEEEEEEE Kabs/Sand
chirality -++--++----+---++++++++ ---++++-+- --+++----+-+---+--+-+++-++++++-- --++----+---+---- ----- chirality
bends S SSS S SSSSSS SS S SSSS SS SSS SS SS SS S SS S bends
turns TTTT TTTTTTTT TTTT TTTTT TTTT TTTTTTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< >>3<< >33< >33<>33< >33< 3-turns
bridge-2 C**CCC DDD C FF**F IIIIIII*II bridge-2
bridge-1 AA AA A B BBB BBB CCC*C EE GGG HHH JJJ bridge-1
sheets AA AA BBB BBBBBB BBBBBB BBBBBBB BBBBBBBBBB sheets
4-turns >>>><<<< >444< 4-turns
summary eEETTEEe S hHHHHHHh tTTtBS BgGGGg EEETeEEEEEEtTTTtTTtSS EEEEEEeTTeEEEEEEEeSeEEEEEEEEEE summary
sequence PQPIRGDKGATVKIPRNIERDRQNPDLVPPETDHGTVSNKFSFSDTHNRLEKGGYAREVTVRELPISENLASVNRLKPGAIRELHWHKEAEWAYIYGSAR sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEE TTS EEEEEEETTEEEEE TT EEEEEEEEEEEEEEEES TT GGGEEEHHHHHHTS HHHHHHHHT TGGGTTS SS SEE HH Kabs/Sand
chirality -+---+-+--++----++------++-+------+---+-----+-+++-+++---+++++++--+++++++-+--++++++--+--+++-+------++ chirality
bends SSS SS SS SS S SS SSS SSSSSSSS SSSSSSSSS SSSSSSS SS SS SS bends
turns TTTT TTTT TTTT TTTT TTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTT TTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33< >33<>>3<< >>3<<>33< >>3X<3< >>3 3-turns
bridge-2 III KKK IIIII****IIIIIII bridge-2
bridge-1 JJJJ JJJJJJJ HHH F*FF C DDD GGG EE bridge-1
sheets BBBB BBBBBBB BBBBB BBBBBBBBBBBBBBBB BBB BB sheets
4-turns >>>><<<< >>>>XX<<<< >444< >>4 4-turns
summary EEEEeTTteEEEEEEEeeEEEEEtTTteEEEEEEEEEEEEEEEEetTTtgGGeEEEHHHHHHhthHHHHHHHHhttgGGGgTt SS eEE hHH summary
sequence VTIVDEKGRSFIDDVGEGDLWYFPSGLPHSIQALEEGAEFLLVFDDGSFSENSTFQLTDWLAHTPKEVIAANFGVTKEEISNLPGKEKYIFENQLPGSLK sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HH TT SS SEEEGGGS EE SSEEEEEESTTTSTT S EEEEEEE TT SEE SSS EEEEEEESEEE EEEETTEEE EESS EEEE Kabs/Sand
chirality ++--+-+----+--+--++++----+-+-----++-+++-+++++---------+ -+---+-------+-+-+ ---+-++-----+-++----- chirality
bends SS SS SS S SSSS SS SSSSSSS S S S SSS SS SSS SS bends
turns TTT TTTT TTTTT TTTTTTTT TTTT TTTT turns
5-turns 5-turns
3-turns << >33< >>3<< >33<>33< >33< >33< 3-turns
bridge-2 MMMMMM NNNNNNN D QQQQ*Q SS A B bridge-2
bridge-1 KKK LL LL MMMMMM OO PPPP RR TT*T TTT RR PPPP bridge-1
sheets BBB CC CCCCCC CCCCCCC DD CCCCCCC EEE FFFF FFF EE CCCC sheets
4-turns 4<< >444< >444< 4-turns
summary HHh tTTt SS eEEEeGGg EEeSeEEEEEEtTTTtTTt S EEEEEEEeTTt eEE SSS EEEEEEEeEEE EEEETTEEE EEeSeEEEE summary
sequence DDIVEGPNGEVPYPFTYRLLEQEPIESEGGKVYIADSTNFKVSKTIASALVTVEPGARELHWHPNTHEWQYYISGKARTVFASDGHARTFNYQAGDVGYV sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand B EE SSS EEEEEEESSSS EEHHHHH HHHHHHHHT HHHHTT SS S Kabs/Sand
chirality - ----++-+---+-----+-+-++---++++ -+++++++-+--++++++--+---+ chirality
bends SSS SSSS SSSS SSSSSSSSS SSSSSS SS S bends
turns TTTTTTT TTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33X>3<< 3-turns
bridge-2 QQQQQ bridge-2
bridge-1 D SS NNNNNNN OO bridge-1
sheets EE CCCCCCC DD sheets
4-turns >>>4<<< >>>>XX<<<< >>44<< 4-turns
summary B EEeSSS EEEEEEESSSS EEHHHHHh hHHHHHHHHhthHHHHhTt SS S summary
sequence PFAGHYVENIGDEPLVFLEIFKDDHYADVSLNQWLALPETFVQAHLDLGKDFTDVLSKEKHPVV sequence
310 320 330 340 350 360
Messages
chain break between 26(A 33 ) and 27(A 35 )
chain break between 39(A 47 ) and 40(A 49 )
chain break between 74(A 83 ) and 75(A 85 )
chain break between 94(A 104 ) and 95(A 106 )
chain break between 257(A 268 ) and 258(A 270 )
chain break between 278(A 290 ) and 279(A 292 )
chain break between 303(A 316 ) and 304(A 318 )
chain break between 336(A 350 ) and 337(A 352 )