Secondary structure calculation program - copyright by David Keith Smith, 1989
1kv3A.pdb
1KV3 TRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 651
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 15 GLU E h > > T 0 0 999.9 -32.1 178.9 999.9 999.9 999.9 0 0.0 4 -1.4 0 0.0 5 -1.0 8 30
2 A 16 THR T H H > 3 T + 0 0 -68.0 -0.4 177.0 70.8 999.9 63.9 0 0.0 6 -0.8 0 0.0 0 0.0 6 29
3 A 17 ASN N H H > 3 TS+ 0 0 -79.1 -39.0 178.6 58.0 89.6 35.2 0 0.0 7 -3.5 0 0.0 0 0.0 11 40
4 A 18 GLY G H H > <>TS+ 0 0 -53.4 -58.9 178.9 45.8 106.9 10.1 1 -1.4 9 -1.8 0 0.0 8 -1.2 15 36
5 A 19 ARG R H H < 5TS+ 0 0 -53.4 -32.3 -179.2 45.9 117.8 34.7 1 -1.0 0 0.0 0 0.0 0 0.0 9 29
6 A 20 ASP D H H < 5TS+ 0 0 -79.2 -39.3 -178.4 39.4 118.2 33.0 2 -0.8 0 0.0 0 0.0 0 0.0 7 35
7 A 21 HIS H H H < 5TS- 0 0 -94.4 3.7 -179.8 -115.3 109.2 71.7 3 -3.5 0 0.0 0 0.0 0 0.0 10 51
8 A 22 HIS H T h < 5TS+ 0 0 57.8 54.4 -179.1 110.1 89.1 12.2 4 -1.2 0 0.0 0 0.0 0 0.0 7 52
9 A 23 THR T t > > T - 102 0 -114.2 141.5 -179.7 -108.7 35.8 150.5 0 0.0 23 -0.8 0 0.0 0 0.0 10 69
21 A 35 ARG R T e 3 TS+ 0 0 -61.5 162.8 179.5 33.2 95.0 93.9 102 -2.6 0 0.0 0 0.0 0 0.0 16 60
22 A 36 GLY G T T 3 TS+ 0 0 69.8 5.8 -177.7 95.1 102.3 61.5 81 -0.6 0 0.0 0 0.0 0 0.0 14 48
23 A 37 GLN Q S e < TS- 0 0 -136.1 137.5 -179.9 -112.2 76.1 171.7 20 -0.8 80 -0.5 0 0.0 0 0.0 11 52
24 A 38 PRO P E E BB - 79 0 -65.2 137.1 177.7 -163.2 28.4 107.6 0 0.0 0 0.0 0 0.0 0 0.0 8 52
25 A 39 PHE F E E BB - 78 0 -129.7 136.4 179.7 -112.1 20.9 171.8 78 -2.4 78 -1.6 0 0.0 0 0.0 9 49
26 A 40 TRP W E E BB - 77 0 -64.1 140.2 178.4 -179.8 30.8 109.1 0 0.0 0 0.0 0 0.0 0 0.0 10 45
27 A 41 LEU L E E BB - 76 0 -143.9 126.8 -178.9 -163.8 7.0 170.2 76 -2.3 76 -3.3 0 0.0 0 0.0 8 41
28 A 42 THR T E E BB 75 0 -121.8 137.1 -179.3 999.9 999.9 161.3 0 0.0 0 0.0 0 0.0 0 0.0 7 32
29!A 43 LEU L e 0 0 -117.9 999.9 999.9 999.9 999.9 48.1 74 -3.0 0 0.0 0 0.0 0 0.0 5 29
30!A 56 SER S 0 0 999.9 121.3 -178.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 20
31 A 57 LEU L e - 0 0 -113.6 152.5 -179.0 -145.5 999.9 142.8 0 0.0 53 -1.8 0 0.0 0 0.0 9 25
32 A 58 THR T E E AC - 52 0 -123.8 143.2 -179.5 -134.0 10.0 160.6 0 0.0 94 -2.1 0 0.0 0 0.0 11 30
33 A 59 PHE F E E ACD - 51 93 -92.1 154.9 179.1 -165.5 14.6 124.0 51 -3.4 51 -3.3 0 0.0 0 0.0 13 41
34 A 60 SER S E E ACD - 50 92 -143.5 136.1 178.5 -167.6 2.9 177.2 92 -2.2 92 -2.0 0 0.0 0 0.0 12 41
35 A 61 VAL V E E ACD + 49 91 -126.8 140.0 -179.1 179.4 5.6 166.7 49 -2.8 49 -2.6 0 0.0 0 0.0 11 49
36 A 62 VAL V E E ACD + 48 90 -138.8 132.8 180.0 165.0 8.3 177.6 90 -1.3 90 -2.9 0 0.0 0 0.0 11 42
37 A 63 THR T e + 0 0 -115.3 -55.4 -179.0 55.0 52.3 36.5 47 -2.1 0 0.0 0 0.0 0 0.0 12 52
38 A 64 GLY G S S S- 0 0 -72.6 -169.8 179.0 -105.3 84.9 76.6 0 0.0 0 0.0 0 0.0 0 0.0 13 47
39 A 65 PRO P S S S+ 0 0 -97.5 6.3 180.0 33.4 123.0 72.3 0 0.0 0 0.0 0 0.0 0 0.0 6 36
40 A 66 ALA A S S S- 0 0 -155.0 57.9 -179.8 -169.4 89.4 110.5 0 0.0 0 0.0 0 0.0 0 0.0 6 32
41 A 67 PRO P - 0 0 -52.8 159.2 -178.1 -178.4 5.9 90.2 0 0.0 0 0.0 0 0.0 0 0.0 11 35
42 A 68 SER S t >T - 0 0 -161.5 149.0 -179.1 -128.7 32.1 168.0 0 0.0 48 -1.1 0 0.0 47 -0.5 9 29
43 A 69 GLN Q T T >5TS+ 0 0 -67.0 -58.7 -179.1 37.2 107.6 13.8 0 0.0 46 -1.4 0 0.0 0 0.0 8 29
44 A 70 GLU E T T 35TS+ 0 0 -68.5 -22.9 179.6 64.7 109.6 41.8 0 0.0 0 0.0 0 0.0 0 0.0 5 27
45 A 71 ALA A T T 35TS- 0 0 -78.9 -0.2 179.5 -127.7 105.7 61.7 0 0.0 0 0.0 0 0.0 0 0.0 9 34
46 A 72 GLY G T T <5TS+ 0 0 71.6 -7.0 -179.4 108.2 84.7 69.4 43 -1.4 0 0.0 0 0.0 0 0.0 10 45
47 A 73 THR T S e T - 0 0 -57.6 61.7 179.2 -97.5 54.2 99.6 0 0.0 72 -2.5 0 0.0 73 -0.9 6 13
71 A 97 ASP D T T 3 TS+ 0 0 58.2 -63.9 179.3 29.2 119.9 107.3 69 -3.7 0 0.0 0 0.0 0 0.0 5 12
72 A 98 CYS C T T 3 TS+ 0 0 -95.7 -16.8 -178.7 57.1 123.4 50.7 70 -2.5 0 0.0 0 0.0 0 0.0 5 10
73 A 99 THR T t < T - 0 0 -112.1 173.7 -178.8 -153.0 62.6 128.0 70 -0.9 0 0.0 0 0.0 0 0.0 8 15
74 A 100 LEU L e - 0 0 -152.7 114.3 179.6 -160.8 4.6 156.0 0 0.0 29 -3.0 0 0.0 76 -0.6 12 25
75 A 101 SER S E E BBE + 28 68 -102.1 121.9 -179.9 160.8 23.9 151.1 68 -1.9 67 -2.6 0 0.0 68 -2.2 12 27
76 A 102 LEU L E E BBE - 27 66 -133.9 170.4 -179.0 -126.3 32.3 146.1 27 -3.3 27 -2.3 74 -0.6 0 0.0 12 40
77 A 103 GLN Q E E BBE - 26 65 -128.1 108.6 176.8 -163.4 12.6 155.0 65 -3.0 65 -1.0 0 0.0 0 0.0 13 48
78 A 104 LEU L E E BBE - 25 64 -82.9 144.2 179.9 -161.0 12.3 127.0 25 -1.6 25 -2.4 0 0.0 0 0.0 12 60
79 A 105 THR T E E BBE - 24 63 -132.3 123.8 178.5 -155.8 2.6 172.9 63 -2.2 63 -1.5 0 0.0 0 0.0 13 59
80 A 106 THR T e - 0 0 -92.3 155.4 179.6 -100.4 30.3 125.5 23 -0.5 0 0.0 0 0.0 0 0.0 12 63
81 A 107 PRO P t > T - 0 0 -77.0 153.0 -179.1 -115.3 26.8 120.6 0 0.0 84 -2.0 0 0.0 22 -0.6 11 56
82 A 108 ALA A T T 3 TS+ 0 0 -61.4 -12.9 178.8 41.6 117.0 52.3 0 0.0 0 0.0 0 0.0 0 0.0 11 48
83 A 109 ASN N T T 3 TS+ 0 0 -124.0 28.4 178.9 143.0 80.2 89.6 0 0.0 0 0.0 0 0.0 0 0.0 10 55
84 A 110 ALA A t < T - 0 0 -67.7 137.1 179.3 -102.1 59.6 114.2 81 -2.0 0 0.0 0 0.0 0 0.0 11 63
85 A 111 PRO P - 0 0 -63.6 150.0 -178.2 -110.5 38.7 110.1 0 0.0 0 0.0 0 0.0 0 0.0 13 64
86 A 112 ILE I + 0 0 -79.7 138.1 177.2 64.8 66.0 125.2 178 -2.4 0 0.0 0 0.0 0 0.0 11 72
87 A 113 GLY G E E A F S- 0 101 151.9 -168.8 177.8 -26.9 81.0 165.0 101 -1.8 101 -2.5 0 0.0 0 0.0 12 71
88 A 114 LEU L E E A F - 0 100 -85.6 129.3 179.2 -165.4 56.1 139.7 0 0.0 0 0.0 0 0.0 0 0.0 10 54
89 A 115 TYR Y E E A F - 0 99 -120.4 145.9 176.8 -141.3 16.0 156.8 99 -2.7 99 -1.1 0 0.0 91 -0.5 12 50
90 A 116 ARG R E E ADF - 36 98 -105.0 124.3 -179.6 -158.6 18.3 154.8 36 -2.9 36 -1.3 0 0.0 92 -0.6 11 39
91 A 117 LEU L E E AD + 35 0 -110.2 119.3 178.5 151.1 23.4 158.1 97 -2.6 0 0.0 89 -0.5 0 0.0 11 46
92 A 118 SER S E E AD - 34 0 -145.6 144.8 179.5 -157.3 22.4 173.9 34 -2.0 34 -2.2 90 -0.6 0 0.0 8 31
93 A 119 LEU L E E AD - 33 0 -120.4 161.4 -179.2 -122.3 16.2 146.2 0 0.0 0 0.0 0 0.0 0 0.0 8 34
94 A 120 GLU E e - 0 0 -107.2 148.0 -179.8 -132.2 16.5 143.2 32 -2.1 0 0.0 0 0.0 0 0.0 7 21
95 A 121 ALA A 0 0 -64.3 -129.6 -179.7 999.9 999.9 43.9 0 0.0 0 0.0 0 0.0 0 0.0 6 15
96!A 122 SER S 0 0 -167.0 999.9 999.9 999.9 999.9 101.8 0 0.0 0 0.0 0 0.0 0 0.0 4 10
97!A 133 GLY G e 0 0 999.9 -150.7 179.3 999.9 999.9 999.9 0 0.0 91 -2.6 0 0.0 0 0.0 5 29
98 A 134 HIS H E E A F - 0 90 -139.6 150.8 176.2 -169.2 999.9 174.9 0 0.0 17 -1.0 0 0.0 0 0.0 9 38
99 A 135 PHE F E E AaF - 17 89 -128.4 163.3 177.7 -132.0 20.9 143.4 89 -1.1 89 -2.7 0 0.0 0 0.0 12 53
100 A 136 ILE I E E AaF - 18 88 -119.4 120.8 -178.2 -149.4 20.2 175.0 17 -0.9 19 -2.6 0 0.0 102 -0.6 11 64
101 A 137 LEU L E E AaF + 19 87 -98.9 117.0 -179.1 179.8 19.5 150.0 87 -2.5 87 -1.8 0 0.0 0 0.0 13 73
102 A 138 LEU L E E Aa - 20 0 -106.7 172.9 178.3 -81.2 37.6 118.7 19 -2.9 21 -2.6 100 -0.6 0 0.0 12 75
103 A 139 PHE F - 0 0 -69.8 157.1 -177.0 -134.1 42.9 115.6 255 -2.2 105 -0.6 0 0.0 0 0.0 13 70
104 A 140 ASN N t > T + 0 0 -124.5 97.5 179.4 178.5 25.4 144.0 0 0.0 107 -1.5 0 0.0 0 0.0 13 65
105 A 141 ALA A T T 3 TS+ 0 0 -65.6 -14.9 179.9 58.0 87.0 49.8 103 -0.6 114 -3.0 0 0.0 0 0.0 14 58
106 A 142 TRP W T T 3 TS+ 0 0 -90.1 -15.0 -178.4 91.7 84.4 52.6 0 0.0 0 0.0 0 0.0 0 0.0 9 50
107 A 143 CYS C t X T - 0 0 -91.4 110.5 -179.6 -148.2 66.6 138.8 104 -1.5 110 -2.2 0 0.0 0 0.0 12 43
108 A 144 PRO P T T 3 TS+ 0 0 -43.7 -28.5 -178.5 47.7 98.6 48.1 0 0.0 0 0.0 0 0.0 0 0.0 8 31
109 A 145 ALA A T T 3 TS+ 0 0 -90.6 -23.5 179.1 100.3 88.3 45.4 0 0.0 0 0.0 0 0.0 0 0.0 7 35
110 A 146 ASP D S t X TS- 0 0 -61.6 147.8 179.2 -123.1 80.9 106.4 107 -2.2 113 -1.3 0 0.0 0 0.0 14 49
111 A 147 ALA A T T 3 TS+ 0 0 -64.2 -23.7 -179.5 52.6 111.4 41.7 0 0.0 307 -0.8 0 0.0 0 0.0 10 53
112 A 148 VAL V T T 3 TS+ 0 0 -99.6 18.6 -178.1 152.3 78.3 78.7 0 0.0 0 0.0 0 0.0 0 0.0 13 64
113 A 149 TYR Y t < T - 0 0 -56.7 129.9 176.3 -152.0 33.3 101.6 110 -1.3 115 -0.6 0 0.0 0 0.0 12 52
114 A 150 LEU L - 0 0 -109.7 116.1 179.0 -146.3 8.5 161.4 105 -3.0 0 0.0 0 0.0 0 0.0 12 43
115 A 151 ASP D S S S+ 0 0 -48.6 -28.6 179.9 45.0 78.9 47.7 113 -0.6 0 0.0 0 0.0 0 0.0 6 29
116 A 152 SER S h > T - 0 0 -132.9 146.4 -178.2 -135.2 69.1 166.8 0 0.0 120 -1.4 0 0.0 0 0.0 6 25
117 A 153 GLU E H H > TS+ 0 0 -58.5 -48.6 -178.9 56.1 102.7 30.5 0 0.0 121 -2.7 0 0.0 0 0.0 7 28
118 A 154 GLU E H H > TS+ 0 0 -56.2 -37.0 178.8 47.9 109.7 28.2 0 0.0 122 -2.1 0 0.0 0 0.0 8 26
119 A 155 GLU E H H > TS+ 0 0 -73.5 -32.2 178.9 49.1 111.2 34.9 0 0.0 123 -2.5 0 0.0 0 0.0 10 41
120 A 156 ARG R H H X >TS+ 0 0 -72.7 -37.0 179.9 51.8 110.9 31.0 116 -1.4 125 -1.4 0 0.0 124 -1.2 13 47
121 A 157 GLN Q H H < >TS+ 0 0 -62.6 -44.8 -178.1 39.0 117.1 23.1 117 -2.7 126 -3.1 0 0.0 0 0.0 10 49
122 A 158 GLU E H H < 5TS+ 0 0 -71.4 -54.2 -176.3 38.6 120.9 16.2 118 -2.1 0 0.0 0 0.0 0 0.0 10 56
123 A 159 TYR Y H H < 5TS+ 0 0 -79.3 -11.1 179.9 16.7 134.0 55.3 119 -2.5 259 -2.1 0 0.0 0 0.0 11 64
124 A 160 VAL V T h < 5TS+ 0 0 -125.1 -49.3 -177.6 33.8 129.1 47.8 120 -1.2 0 0.0 0 0.0 0 0.0 13 66
125 A 161 LEU L T T T - 138 0 -143.8 154.7 178.9 -106.9 45.2 169.4 138 -1.8 138 -2.5 0 0.0 0 0.0 13 57
136 A 172 ALA A T T 3 TS+ 0 0 -45.4 -37.8 -178.5 43.3 125.3 32.6 0 0.0 0 0.0 0 0.0 0 0.0 12 56
137 A 173 LYS K T T 3 TS+ 0 0 -90.5 -3.2 179.3 28.5 127.2 59.7 0 0.0 0 0.0 0 0.0 0 0.0 6 48
138 A 174 PHE F E E CG < TS- 135 0 -157.7 79.4 -177.2 -159.7 80.3 124.7 135 -2.5 135 -1.8 0 0.0 0 0.0 8 44
139 A 175 ILE I E E CG - 134 0 -71.2 128.5 179.4 -161.8 4.3 115.4 0 0.0 0 0.0 0 0.0 0 0.0 9 47
140 A 176 LYS K E E CG - 133 0 -112.0 143.6 -179.2 -146.1 8.7 152.0 133 -2.3 133 -3.2 0 0.0 142 -0.6 8 56
141 A 177 ASN N E E CG - 132 0 -113.5 109.6 -178.8 -157.8 11.4 157.3 0 0.0 0 0.0 0 0.0 0 0.0 9 61
142 A 178 ILE I E E CG - 131 0 -89.4 124.3 -180.0 -127.2 18.4 138.5 131 -2.6 131 -2.2 140 -0.6 0 0.0 10 67
143 A 179 PRO P E E CG - 130 0 -67.6 150.6 -178.4 -174.0 30.5 113.9 0 0.0 0 0.0 0 0.0 0 0.0 13 66
144 A 180 TRP W E E CG - 129 0 -152.8 135.3 179.3 -143.1 24.8 168.1 129 -1.9 129 -2.1 0 0.0 146 -0.8 12 69
145 A 181 ASN N E E CGa + 128 220 -99.1 101.7 -179.2 176.6 18.4 148.6 219 -2.0 221 -1.6 0 0.0 222 -0.7 16 74
146 A 182 PHE F e - 0 0 -71.5 -36.8 179.0 -177.5 11.6 28.6 127 -1.7 0 0.0 144 -0.8 0 0.0 15 72
147 A 183 GLY G t > T + 0 0 40.8 45.7 -178.9 164.2 13.6 40.1 127 -1.8 150 -2.1 0 0.0 0 0.0 13 69
148 A 184 GLN Q T T 3 TS+ 0 0 -61.0 -23.2 -179.0 48.1 75.8 40.4 0 0.0 0 0.0 0 0.0 0 0.0 12 67
149 A 185 PHE F T T 3 TS+ 0 0 -101.9 11.3 178.2 123.7 82.1 74.6 0 0.0 0 0.0 0 0.0 0 0.0 11 67
150 A 186 GLN Q S t X TS- 0 0 -68.4 155.7 -178.3 -71.3 80.0 109.7 147 -2.1 153 -1.8 0 0.0 0 0.0 11 55
151 A 187 ASP D T T 3 TS+ 0 0 -51.8 123.6 178.9 2.7 115.3 103.3 0 0.0 0 0.0 0 0.0 0 0.0 7 49
152 A 188 GLY G T h > 3 TS+ 0 0 83.1 -2.7 -178.0 109.9 94.8 68.4 0 0.0 156 -1.3 0 0.0 0 0.0 6 42
153 A 189 ILE I H H > < TS+ 0 0 -74.0 -37.2 179.4 54.6 75.2 28.9 150 -1.8 157 -2.2 0 0.0 0 0.0 13 57
154 A 190 LEU L H H > TS+ 0 0 -61.1 -44.1 -179.4 49.9 108.3 22.5 0 0.0 158 -2.0 0 0.0 0 0.0 13 60
155 A 191 ASP D H H > TS+ 0 0 -63.9 -32.6 179.0 51.3 109.9 32.1 0 0.0 159 -2.5 0 0.0 0 0.0 7 49
156 A 192 ILE I H H X TS+ 0 0 -72.3 -36.7 178.3 52.7 107.3 28.4 152 -1.3 160 -2.9 0 0.0 0 0.0 11 51
157 A 193 CYS C H H X TS+ 0 0 -66.1 -38.7 178.2 48.5 109.6 29.1 153 -2.2 161 -1.8 0 0.0 0 0.0 11 66
158 A 194 LEU L H H X TS+ 0 0 -66.2 -43.7 177.5 49.2 111.6 15.0 154 -2.0 162 -3.2 0 0.0 0 0.0 9 60
159 A 195 ILE I H H X TS+ 0 0 -56.8 -42.5 179.1 57.6 107.0 20.9 155 -2.5 163 -0.7 0 0.0 0 0.0 8 49
160 A 196 LEU L H H < TS+ 0 0 -54.9 -39.9 178.7 40.6 111.8 29.4 156 -2.9 0 0.0 0 0.0 0 0.0 10 67
161 A 197 LEU L H H < > TS+ 0 0 -75.7 -43.6 -178.4 56.3 111.3 21.3 157 -1.8 164 -1.6 0 0.0 0 0.0 10 67
162 A 198 ASP D H H < 3 TS+ 0 0 -67.6 -2.7 -178.0 47.1 109.3 61.8 158 -3.2 0 0.0 0 0.0 0 0.0 8 52
163 A 199 VAL V T h < 3 TS+ 0 0 -124.2 12.3 -179.0 119.7 83.2 71.2 159 -0.7 0 0.0 0 0.0 0 0.0 9 47
164 A 200 ASN N S h > X TS- 0 0 -80.8 147.1 -179.8 -106.1 78.0 117.8 161 -1.6 167 -2.8 0 0.0 168 -1.4 12 48
165 A 201 PRO P H H > 3 TS+ 0 0 -36.9 -47.1 -178.9 55.5 119.2 36.3 0 0.0 169 -1.8 0 0.0 0 0.0 7 38
166 A 202 LYS K H H > 3 TS+ 0 0 -65.8 -21.5 178.8 51.1 105.8 43.2 0 0.0 170 -1.6 0 0.0 0 0.0 8 37
167 A 203 PHE F H H > < TS+ 0 0 -82.8 -32.5 179.3 53.8 107.6 35.5 164 -2.8 171 -0.5 0 0.0 0 0.0 14 39
168 A 204 LEU L H H < TS+ 0 0 -69.3 -35.4 179.3 44.0 112.2 31.1 164 -1.4 0 0.0 0 0.0 0 0.0 8 26
169 A 205 LYS K H H < TS- 0 0 -74.4 -44.0 -176.5 -5.8 140.7 21.2 165 -1.8 0 0.0 0 0.0 0 0.0 6 21
170 A 206 ASN N H H X > T - 0 0 -158.1 86.7 -179.3 -173.9 58.8 128.3 166 -1.6 174 -1.8 0 0.0 173 -1.0 8 24
171 A 207 ALA A H H X 3 TS+ 0 0 -54.3 -30.1 -179.5 60.8 86.3 36.8 167 -0.5 175 -2.1 0 0.0 0 0.0 13 38
172 A 208 GLY G H H > 3 TS+ 0 0 -67.8 -41.4 -179.9 41.8 106.3 29.8 0 0.0 176 -1.1 0 0.0 0 0.0 11 35
173 A 209 ARG R H H > < TS+ 0 0 -71.2 -41.7 179.6 55.3 112.8 29.7 170 -1.0 177 -3.0 0 0.0 0 0.0 9 38
174 A 210 ASP D H H X TS+ 0 0 -55.9 -58.7 -178.9 47.4 107.5 12.7 170 -1.8 178 -1.0 0 0.0 0 0.0 10 46
175 A 211 CYS C H H < TS+ 0 0 -55.5 -32.9 -179.3 48.1 114.9 32.1 171 -2.1 0 0.0 0 0.0 0 0.0 15 57
176 A 212 SER S H H < TS+ 0 0 -73.5 -46.0 -179.6 51.5 108.7 23.1 172 -1.1 0 0.0 0 0.0 0 0.0 12 49
177 A 213 ARG R H H < > TS+ 0 0 -70.5 -6.2 176.7 88.1 85.6 57.3 173 -3.0 180 -1.6 0 0.0 0 0.0 10 49
178 A 214 ARG R T h < 3 T + 0 0 -78.0 24.6 178.2 81.6 67.3 87.3 174 -1.0 86 -2.4 0 0.0 0 0.0 12 66
179 A 215 SER S T T 3 TS+ 0 0 -96.1 -21.3 -178.6 77.4 80.7 53.7 0 0.0 0 0.0 0 0.0 0 0.0 12 61
180 A 216 SER S h > < T - 0 0 -93.3 121.3 179.4 -155.7 68.0 144.5 177 -1.6 184 -3.0 0 0.0 0 0.0 10 56
181 A 217 PRO P H H > TS+ 0 0 -65.5 -27.5 178.5 55.5 100.2 33.0 0 0.0 185 -2.6 0 0.0 0 0.0 12 69
182 A 218 VAL V H H > TS+ 0 0 -70.3 -38.4 178.2 45.4 110.2 20.4 0 0.0 186 -2.7 0 0.0 0 0.0 9 64
183 A 219 TYR Y H H > TS+ 0 0 -66.2 -46.4 -179.8 43.6 116.5 19.9 0 0.0 187 -1.8 0 0.0 0 0.0 10 58
184 A 220 VAL V H H X TS+ 0 0 -65.0 -33.7 -179.6 58.1 112.0 27.6 180 -3.0 188 -3.2 0 0.0 0 0.0 11 72
185 A 221 GLY G H H X TS+ 0 0 -60.1 -54.3 -180.0 46.9 104.5 17.8 181 -2.6 189 -2.6 0 0.0 0 0.0 11 75
186 A 222 ARG R H H X TS+ 0 0 -59.1 -32.9 179.2 48.8 115.6 30.8 182 -2.7 190 -2.3 0 0.0 0 0.0 11 65
187 A 223 VAL V H H X TS+ 0 0 -71.5 -54.1 179.4 46.9 110.1 12.6 183 -1.8 191 -2.3 0 0.0 0 0.0 10 67
188 A 224 GLY G H H X > TS+ 0 0 -47.8 -53.2 -178.3 48.5 116.8 15.2 184 -3.2 192 -0.8 0 0.0 191 -0.5 13 80
189 A 225 SER S H H X > TS+ 0 0 -54.2 -52.4 -178.1 46.4 111.2 31.7 185 -2.6 192 -0.9 0 0.0 193 -0.6 13 73
190 A 226 GLY G H H < 3>TS+ 0 0 -65.7 -30.6 -178.7 58.6 107.4 35.5 186 -2.3 195 -1.4 0 0.0 0 0.0 12 60
191 A 227 MET M H H < <5TS+ 0 0 -75.0 -15.3 -177.9 72.6 91.0 50.9 187 -2.3 200 -2.1 188 -0.5 0 0.0 13 63
192 A 228 VAL V H H < <5TS- 0 0 -68.1 -49.1 -179.8 -25.6 127.3 19.4 189 -0.9 201 -3.1 188 -0.8 0 0.0 14 72
193 A 229 ASN N T h < 5TS+ 0 0 -136.1 -30.9 -178.3 69.2 124.8 55.7 189 -0.6 0 0.0 0 0.0 0 0.0 17 61
194 A 230 CYS C T T 5TS+ 0 0 -56.3 -86.4 -178.0 68.2 79.0 14.1 0 0.0 196 -1.6 0 0.0 0 0.0 12 52
195 A 231 ASN N S t > T + 0 0 -115.8 25.2 -178.8 124.7 20.9 85.5 207 -0.6 212 -1.2 0 0.0 0 0.0 11 33
210 A 246 GLY G T T 3 TS+ 0 0 -52.5 -41.6 -179.4 56.0 70.4 34.2 0 0.0 0 0.0 0 0.0 0 0.0 6 28
211 A 247 ASP D T T 3 TS+ 0 0 -85.5 32.8 -179.9 8.7 121.9 93.2 0 0.0 0 0.0 0 0.0 0 0.0 5 19
212 A 248 GLY G S t < TS- 0 0 -176.7 -161.4 179.1 -52.9 102.1 156.4 209 -1.2 214 -0.5 0 0.0 0 0.0 7 31
213 A 249 VAL V - 0 0 -103.1 127.5 -178.6 -121.8 54.4 154.4 237 -2.7 0 0.0 0 0.0 0 0.0 10 45
214 A 250 SER S g > > T - 0 0 -65.1 147.3 -179.8 -118.7 21.5 109.1 212 -0.5 217 -1.7 0 0.0 218 -0.7 11 50
215 A 251 PRO P G G 4 > TS+ 0 0 -55.7 -38.0 -179.8 54.7 113.5 29.4 0 0.0 218 -0.5 0 0.0 0 0.0 9 60
216 A 252 MET M G G 4 3 TS+ 0 0 -72.8 -11.1 -179.8 66.9 97.8 48.4 0 0.0 0 0.0 0 0.0 0 0.0 7 70
217 A 253 SER S G G 4 < TS+ 0 0 -79.1 -32.6 -178.5 102.5 72.5 31.6 214 -1.7 0 0.0 0 0.0 0 0.0 10 65
218 A 254 TRP W g < < T - 0 0 -52.7 139.0 177.5 -177.5 43.0 98.7 214 -0.7 0 0.0 215 -0.5 0 0.0 9 69
219 A 255 ILE I + 0 0 -122.7 13.4 179.0 5.0 66.3 75.7 0 0.0 145 -2.0 0 0.0 0 0.0 12 67
220 A 256 GLY G B B a - 145 0 177.8 162.2 179.9 -112.8 66.1 160.7 0 0.0 0 0.0 0 0.0 0 0.0 13 76
221 A 257 SER S S h > > TS+ 0 0 -77.3 -31.2 -177.5 77.9 98.4 36.0 145 -1.6 225 -2.5 0 0.0 224 -0.8 15 75
222 A 258 VAL V H H > 3 TS+ 0 0 -45.9 -58.6 -179.3 46.0 92.7 26.9 145 -0.7 226 -2.3 0 0.0 0 0.0 12 64
223 A 259 ASP D H H > 3 TS+ 0 0 -60.1 -28.6 -179.6 51.8 113.8 38.8 0 0.0 227 -2.1 0 0.0 0 0.0 8 63
224 A 260 ILE I H H > < TS+ 0 0 -72.1 -55.9 178.4 46.4 109.9 12.8 221 -0.8 228 -1.7 0 0.0 0 0.0 12 64
225 A 261 LEU L H H X TS+ 0 0 -53.5 -36.8 179.5 49.5 115.2 33.8 221 -2.5 229 -1.8 0 0.0 0 0.0 12 64
226 A 262 ARG R H H X TS+ 0 0 -71.4 -47.6 178.9 50.8 107.2 20.0 222 -2.3 230 -2.8 0 0.0 0 0.0 10 50
227 A 263 ARG R H H < TS+ 0 0 -60.4 -25.2 -180.0 56.8 109.3 36.1 223 -2.1 0 0.0 0 0.0 0 0.0 9 40
228 A 264 TRP W H H < >>TS+ 0 0 -69.4 -56.4 179.9 35.7 112.5 11.2 224 -1.7 233 -1.9 0 0.0 231 -1.1 13 51
229 A 265 LYS K H H < >5TS+ 0 0 -65.0 -42.1 -179.1 60.7 111.7 25.4 225 -1.8 232 -1.6 0 0.0 0 0.0 10 39
230 A 266 ASN N T h < 35TS+ 0 0 -68.9 3.8 178.7 46.7 107.6 64.4 226 -2.8 0 0.0 0 0.0 0 0.0 7 27
231 A 267 HIS H T T <5TS- 0 0 -133.9 31.5 177.2 -89.4 128.1 95.0 228 -1.1 0 0.0 0 0.0 0 0.0 7 24
232 A 268 GLY G T T <5TS- 0 0 65.5 38.0 179.4 -59.4 79.6 34.1 229 -1.6 0 0.0 0 0.0 0 0.0 6 25
233 A 269 CYS C S t T - 0 0 -138.0 -175.5 -176.2 -68.3 53.2 141.3 0 0.0 244 -2.4 0 0.0 0 0.0 11 67
241 A 277 CYS C H H > TS+ 0 0 -51.1 -52.0 -178.9 46.4 128.8 28.4 0 0.0 245 -2.6 0 0.0 0 0.0 11 70
242 A 278 TRP W H H > TS+ 0 0 -61.8 -32.1 179.4 52.3 112.9 30.5 0 0.0 246 -2.9 0 0.0 0 0.0 11 76
243 A 279 VAL V H H > TS+ 0 0 -67.6 -45.8 179.4 48.8 109.4 18.8 0 0.0 247 -2.7 0 0.0 0 0.0 11 75
244 A 280 PHE F H H X TS+ 0 0 -56.5 -51.1 -178.6 44.1 115.4 16.5 240 -2.4 248 -2.4 0 0.0 0 0.0 15 74
245 A 281 ALA A H H X TS+ 0 0 -61.6 -41.4 -178.8 55.2 111.4 24.6 241 -2.6 249 -2.8 0 0.0 0 0.0 15 79
246 A 282 ALA A H H X TS+ 0 0 -61.6 -48.5 180.0 40.2 111.8 19.7 242 -2.9 250 -2.2 0 0.0 0 0.0 14 76
247 A 283 VAL V H H X TS+ 0 0 -70.7 -30.9 177.5 56.1 113.1 28.3 243 -2.7 251 -2.7 0 0.0 0 0.0 14 86
248 A 284 ALA A H H X TS+ 0 0 -61.3 -41.7 179.5 49.1 108.5 20.7 244 -2.4 252 -2.7 0 0.0 0 0.0 13 84
249 A 285 CYS C H H X TS+ 0 0 -63.8 -43.4 178.7 51.9 109.0 24.5 245 -2.8 253 -2.3 0 0.0 0 0.0 13 79
250 A 286 THR T H H X TS+ 0 0 -56.8 -53.3 -178.6 45.6 112.3 12.1 246 -2.2 254 -2.7 0 0.0 0 0.0 12 76
251 A 287 VAL V H H X TS+ 0 0 -56.4 -53.5 -179.2 47.5 113.7 20.3 247 -2.7 255 -2.7 0 0.0 0 0.0 12 80
252 A 288 LEU L H H < >TS+ 0 0 -59.2 -32.9 179.7 49.1 113.4 35.4 248 -2.7 257 -2.8 0 0.0 0 0.0 13 78
253 A 289 ARG R H H < >5TS+ 0 0 -72.8 -42.4 178.4 52.3 108.5 24.1 249 -2.3 256 -1.5 0 0.0 0 0.0 14 75
254 A 290 CYS C H H < 35TS+ 0 0 -55.6 -51.3 179.6 49.1 110.5 12.1 250 -2.7 0 0.0 0 0.0 0 0.0 13 73
255 A 291 LEU L T h < 35TS- 0 0 -67.1 -5.9 178.4 -108.4 122.8 60.7 251 -2.7 103 -2.2 0 0.0 0 0.0 10 78
256 A 292 GLY G T T <5TS+ 0 0 93.4 1.6 177.4 134.4 73.6 58.6 253 -1.5 0 0.0 0 0.0 0 0.0 11 77
257 A 293 ILE I t T - 0 0 -86.1 -166.7 -178.2 -72.6 51.5 97.9 286 -2.1 285 -2.2 0 0.0 0 0.0 11 37
283 A 319 GLU E T T 3 TS+ 0 0 -69.5 -5.2 178.1 52.3 132.8 59.9 0 0.0 0 0.0 0 0.0 0 0.0 8 45
284 A 320 PHE F T T 3 TS- 0 0 -105.6 -0.5 -179.0 -103.1 122.8 72.0 0 0.0 0 0.0 0 0.0 0 0.0 8 48
285 A 321 GLY G S t < TS+ 0 0 94.0 1.5 -179.9 151.6 70.7 64.2 282 -2.2 0 0.0 0 0.0 0 0.0 12 54
286 A 322 GLU E - 0 0 -72.3 127.0 178.4 -119.1 49.9 117.2 0 0.0 282 -2.1 0 0.0 0 0.0 8 54
287 A 323 ILE I B B C - 281 0 -65.0 129.4 -179.4 -120.3 29.2 119.9 0 0.0 289 -1.0 0 0.0 0 0.0 8 50
288 A 324 GLN Q - 0 0 -82.1 100.6 -176.4 -122.6 37.2 130.5 280 -3.8 0 0.0 0 0.0 0 0.0 8 28
289 A 325 GLY G + 0 0 -40.2 157.6 -179.2 94.5 58.7 77.7 287 -1.0 0 0.0 0 0.0 0 0.0 5 26
290 A 326 ASP D S S S- 0 0 162.4 -132.6 179.7 -22.8 90.0 156.5 0 0.0 0 0.0 0 0.0 0 0.0 4 18
291 A 327 LYS K S S S+ 0 0 -92.2 -6.6 178.7 117.3 93.3 66.6 0 0.0 0 0.0 0 0.0 0 0.0 4 20
292 A 328 SER S - 0 0 -68.6 132.0 178.8 -136.5 61.0 118.3 0 0.0 0 0.0 0 0.0 0 0.0 6 33
293 A 329 GLU E - 0 0 -90.5 137.5 -179.8 -125.8 16.6 139.4 0 0.0 0 0.0 0 0.0 0 0.0 7 47
294 A 330 MET M - 0 0 -80.7 156.2 178.3 -98.9 30.1 115.9 0 0.0 0 0.0 0 0.0 0 0.0 8 56
295 A 331 ILE I - 0 0 -70.0 136.5 -179.6 -113.1 46.6 124.6 0 0.0 0 0.0 0 0.0 0 0.0 10 61
296 A 332 TRP W E E EI - 267 0 -78.0 137.2 178.2 -137.0 7.4 126.6 267 -2.8 267 -2.0 0 0.0 0 0.0 13 61
297 A 333 ASN N E E E* S- 0 0 -55.1 -36.9 174.1 -16.8 91.0 28.9 480 -1.8 266 -1.4 0 0.0 0 0.0 13 62
298 A 334 PHE F E E EI - 265 0 -164.6 151.8 179.2 -162.8 65.0 164.2 480 -0.8 0 0.0 0 0.0 0 0.0 15 69
299 A 335 HIS H E E EI - 264 0 -141.1 142.5 -175.8 -147.8 12.1 176.1 264 -2.4 264 -2.3 0 0.0 0 0.0 14 72
300 A 336 CYS C E E EI + 263 0 -118.8 149.6 177.2 151.5 23.4 149.4 0 0.0 0 0.0 0 0.0 0 0.0 12 77
301 A 337 TRP W E E EI - 262 0 -153.0 -179.4 179.5 -106.9 35.5 148.1 262 -1.8 262 -2.8 0 0.0 0 0.0 16 80
302 A 338 VAL V E E EIK - 261 321 -119.5 167.8 178.8 -147.9 13.5 143.6 321 -2.9 321 -2.9 0 0.0 0 0.0 16 72
303 A 339 GLU E E E EIK - 260 320 -132.5 132.1 178.8 -165.1 12.9 176.7 260 -2.1 260 -2.2 0 0.0 0 0.0 12 79
304 A 340 SER S E E EIK - 259 319 -122.6 139.9 -176.7 -129.2 17.5 164.8 319 -2.1 319 -2.2 0 0.0 306 -0.5 13 68
305 A 341 TRP W E E E K + 0 318 -91.3 120.9 -179.8 118.0 50.6 141.0 258 -2.5 0 0.0 0 0.0 0 0.0 13 65
306 A 342 MET M E E E K - 0 317 -167.8 172.2 178.6 -92.9 58.5 170.5 317 -2.4 317 -2.4 304 -0.5 0 0.0 15 61
307 A 343 THR T - 0 0 -95.9 156.6 -178.1 -140.1 28.2 130.5 111 -0.8 0 0.0 0 0.0 0 0.0 9 53
308 A 344 ARG R t > T + 0 0 -120.4 78.6 -180.0 160.4 31.8 129.2 0 0.0 311 -1.5 0 0.0 0 0.0 11 43
309 A 345 PRO P T T 3 TS+ 0 0 -66.4 -22.2 179.9 69.0 74.0 38.7 0 0.0 0 0.0 0 0.0 0 0.0 6 32
310 A 346 ASP D T T 3 TS+ 0 0 -78.2 9.7 -178.7 47.1 103.3 68.0 0 0.0 0 0.0 0 0.0 0 0.0 4 31
311 A 347 LEU L S t < TS- 0 0 -138.9 179.2 177.4 -57.3 105.6 143.1 308 -1.5 0 0.0 0 0.0 0 0.0 8 34
312 A 348 GLN Q S t > TS- 0 0 -54.5 147.8 179.7 -88.3 73.6 100.3 0 0.0 315 -0.9 0 0.0 0 0.0 7 22
313 A 349 PRO P T T 3 TS+ 0 0 -60.8 152.5 177.9 44.8 109.0 104.5 0 0.0 0 0.0 0 0.0 0 0.0 7 19
314 A 350 GLY G T T 3 TS+ 0 0 98.1 -0.3 179.5 106.7 74.9 63.8 0 0.0 0 0.0 0 0.0 0 0.0 5 26
315 A 351 TYR Y t < T + 0 0 -99.4 23.9 177.3 123.0 45.1 85.2 312 -0.9 0 0.0 0 0.0 0 0.0 11 40
316 A 352 GLU E + 0 0 -76.7 162.8 -179.1 58.4 45.9 113.4 0 0.0 0 0.0 0 0.0 0 0.0 10 45
317 A 353 GLY G E E EK S+ 306 0 122.3 -144.8 -179.9 12.2 93.9 159.4 306 -2.4 306 -2.4 0 0.0 0 0.0 10 50
318 A 354 TRP W E E EK - 305 0 -77.0 135.7 177.8 -164.5 58.9 122.8 0 0.0 340 -2.3 0 0.0 0 0.0 11 61
319 A 355 GLN Q E E EKL - 304 339 -120.2 125.2 179.6 -131.7 17.1 170.4 304 -2.2 304 -2.1 0 0.0 0 0.0 13 71
320 A 356 ALA A E E EKL - 303 338 -79.3 124.7 178.6 -178.7 25.2 130.8 338 -2.7 338 -1.2 0 0.0 0 0.0 14 79
321 A 357 LEU L E E EK* - 302 0 -125.0 117.6 -178.9 -168.1 7.6 169.4 302 -2.9 302 -2.9 0 0.0 0 0.0 15 76
322 A 358 ASP D E E E L - 0 335 -110.7 97.5 -179.4 -174.7 6.1 145.9 335 -1.8 335 -1.8 0 0.0 0 0.0 14 72
323 A 359 PRO P E E E * + 0 0 -72.5 5.4 177.2 100.7 58.4 68.8 0 0.0 0 0.0 0 0.0 0 0.0 17 67
324 A 360 THR T E E E * S- 0 0 -90.9 113.6 -179.7 -128.6 78.5 147.5 0 0.0 0 0.0 0 0.0 0 0.0 14 69
325 A 361 PRO P E E E * - 0 0 -65.5 134.4 178.0 -175.0 31.4 113.9 0 0.0 0 0.0 0 0.0 0 0.0 11 59
326 A 362 GLN Q E E E L - 0 333 -130.1 157.1 -180.0 -83.6 35.6 158.7 333 -2.1 333 -1.3 0 0.0 0 0.0 10 52
327 A 363 GLU E E E E L - 0 332 -59.6 121.3 179.2 -178.2 54.9 114.4 0 0.0 0 0.0 0 0.0 0 0.0 10 32
328 A 364 LYS K E E E L> T - 0 331 -116.8 173.9 -180.0 -87.2 44.2 133.6 331 -3.0 331 -0.8 0 0.0 0 0.0 9 33
329 A 365 SER S T T 3 TS+ 0 0 -49.4 -36.6 -178.8 18.6 124.3 35.8 0 0.0 0 0.0 0 0.0 0 0.0 5 20
330 A 366 GLU E T T 3 TS- 0 0 -141.9 75.5 179.5 -30.2 131.2 129.3 0 0.0 0 0.0 0 0.0 0 0.0 4 16
331 A 367 GLY G E E EL < TS- 328 0 111.3 -178.1 178.5 -69.5 77.5 121.5 328 -0.8 328 -3.0 0 0.0 333 -0.5 6 21
332 A 368 THR T E E EL + 327 0 -122.2 105.7 -179.9 136.9 65.1 160.2 0 0.0 0 0.0 0 0.0 0 0.0 8 29
333 A 369 TYR Y E E EL - 326 0 -139.6 170.7 180.0 -93.0 51.7 153.3 326 -1.3 326 -2.1 331 -0.5 0 0.0 11 43
334 A 370 CYS C E E E* - 0 0 -76.5 -177.1 -176.8 -122.2 44.5 95.4 0 0.0 0 0.0 0 0.0 0 0.0 12 60
335 A 371 CYS C E E EL - 322 0 -134.7 161.2 177.9 -30.3 33.0 157.7 322 -1.8 322 -1.8 0 0.0 0 0.0 13 64
336 A 372 GLY G E E E* - 0 0 84.8 -177.1 1.5 -147.7 19.8 96.2 0 0.0 0 0.0 0 0.0 0 0.0 13 67
337 A 373 PRO P E E E* + 0 0 -73.5 140.0 178.1 156.8 56.0 72.6 0 0.0 0 0.0 0 0.0 0 0.0 14 66
338 A 374 VAL V E E EL - 320 0 -128.9 141.1 180.0 -104.3 48.9 165.1 320 -1.2 320 -2.7 0 0.0 0 0.0 14 60
339 A 375 PRO P E E >EL T - 319 0 -68.7 135.0 179.8 -141.3 20.7 122.1 0 0.0 343 -1.4 0 0.0 0 0.0 13 55
340 A 376 VAL V H H > TS+ 0 0 -61.5 -40.3 -179.6 58.1 102.9 21.8 318 -2.3 344 -2.4 0 0.0 0 0.0 12 64
341 A 377 ARG R H H > TS+ 0 0 -59.1 -32.2 178.4 55.4 102.3 31.9 0 0.0 345 -2.7 0 0.0 0 0.0 10 53
342 A 378 ALA A H H > >TS+ 0 0 -65.6 -40.4 178.2 48.8 107.4 24.2 0 0.0 347 -2.0 0 0.0 346 -1.1 13 54
343 A 379 ILE I H H < >5TS+ 0 0 -64.8 -41.6 -179.4 49.3 111.9 23.0 339 -1.4 346 -0.5 0 0.0 0 0.0 16 62
344 A 380 LYS K H H < 35TS+ 0 0 -63.9 -40.9 -179.0 47.1 113.1 23.8 340 -2.4 0 0.0 0 0.0 0 0.0 13 55
345 A 381 GLU E H H < 35TS- 0 0 -76.7 -15.2 -179.8 -118.9 110.2 51.6 341 -2.7 0 0.0 0 0.0 0 0.0 10 48
346 A 382 GLY G T h < <5T + 0 0 84.6 14.0 -179.8 150.6 60.4 50.4 342 -1.1 348 -2.5 343 -0.5 0 0.0 13 49
347 A 383 ASP D t > < TS- 0 0 -67.9 142.0 -178.5 -84.9 74.8 109.9 347 -2.0 354 -1.1 0 0.0 0 0.0 11 41
351 A 387 LYS K T T 4 TS+ 0 0 -89.0 139.7 0.8 37.4 94.7 135.8 0 0.0 0 0.0 0 0.0 0 0.0 9 42
352 A 388 TYR Y T T 4 TS- 0 0 -116.7 137.2 176.6 -49.0 119.9 64.7 0 0.0 0 0.0 0 0.0 0 0.0 8 54
353 A 389 ASP D T h > > T + 0 0 65.9 26.0 -180.0 159.8 67.3 49.8 0 0.0 356 -1.9 0 0.0 357 -1.2 11 55
354 A 390 ALA A H H X 3 T + 0 0 -45.7 -47.5 -179.6 58.3 68.9 33.4 350 -1.1 358 -2.7 0 0.0 0 0.0 15 58
355 A 391 PRO P H H > 3 TS+ 0 0 -59.1 -25.5 -179.4 53.1 104.5 37.4 0 0.0 359 -1.3 0 0.0 0 0.0 10 57
356 A 392 PHE F H H > < TS+ 0 0 -73.4 -54.5 178.1 40.2 112.6 13.6 353 -1.9 360 -1.8 0 0.0 0 0.0 10 65
357 A 393 VAL V H H X TS+ 0 0 -60.0 -39.9 -179.9 59.1 112.2 21.7 353 -1.2 361 -1.5 0 0.0 0 0.0 11 73
358 A 394 PHE F H H X TS+ 0 0 -56.0 -37.9 -178.6 47.4 107.1 30.6 354 -2.7 362 -1.7 0 0.0 0 0.0 14 70
359 A 395 ALA A H H X TS+ 0 0 -71.5 -41.3 -179.8 62.0 101.6 24.4 355 -1.3 363 -2.8 0 0.0 0 0.0 13 68
360 A 396 GLU E H H < TS+ 0 0 -50.5 -37.4 -175.4 31.6 118.4 32.9 356 -1.8 268 -1.5 0 0.0 0 0.0 13 73
361 A 397 VAL V H H < TS+ 0 0 -98.9 -19.9 -176.0 27.3 131.8 43.7 357 -1.5 0 0.0 0 0.0 0 0.0 13 71
362 A 398 ASN N H H < TS+ 0 0 -123.6 -10.2 -178.9 133.5 75.1 59.7 358 -1.7 0 0.0 0 0.0 0 0.0 10 67
363 A 399 ALA A h < T - 0 0 -45.2 150.8 -178.8 -132.6 48.2 90.0 359 -2.8 0 0.0 0 0.0 0 0.0 13 54
364 A 400 ASP D E E Fj - 276 0 -112.9 139.0 -177.6 -151.8 15.3 155.5 275 -1.7 277 -3.1 0 0.0 0 0.0 9 53
365 A 401 VAL V E E Fj - 277 0 -116.1 137.4 178.5 -167.6 7.4 155.5 0 0.0 0 0.0 0 0.0 0 0.0 9 53
366 A 402 VAL V E E Fj - 278 0 -123.4 125.1 -177.7 -155.0 8.3 169.7 277 -2.4 279 -2.5 0 0.0 368 -0.7 10 49
367 A 403 ASP D E E Fj - 279 0 -106.9 113.3 177.6 -168.7 11.2 149.2 0 0.0 379 -2.7 0 0.0 0 0.0 12 51
368 A 404 TRP W E E FjM - 280 378 -97.9 143.0 177.2 -149.7 12.9 137.4 279 -3.1 281 -3.0 366 -0.7 370 -0.6 12 44
369 A 405 ILE I E E FjM - 281 377 -110.9 114.1 179.7 -150.8 16.4 163.5 377 -2.9 377 -2.2 0 0.0 0 0.0 14 43
370 A 406 GLN Q E E F M - 0 376 -82.1 145.9 -179.3 -178.2 21.5 128.0 281 -3.2 0 0.0 368 -0.6 0 0.0 12 33
371 A 407 GLN Q e > T - 0 0 -127.8 -162.9 178.3 -54.9 35.7 117.4 375 -2.7 374 -0.8 0 0.0 0 0.0 10 29
372 A 408 ASP D T T 3 TS+ 0 0 -81.5 131.2 -177.6 32.2 123.1 135.1 0 0.0 0 0.0 0 0.0 0 0.0 5 17
373 A 409 ASP D T T 3 TS- 0 0 87.9 29.4 178.5 -87.9 125.8 42.8 0 0.0 0 0.0 0 0.0 0 0.0 4 10
374 A 410 GLY G S t < TS+ 0 0 47.0 14.5 178.6 155.5 80.9 52.2 371 -0.8 0 0.0 0 0.0 0 0.0 6 15
375 A 411 SER S e - 0 0 -70.9 142.6 -176.6 -151.1 30.1 120.1 0 0.0 371 -2.7 0 0.0 0 0.0 7 19
376 A 412 VAL V E E FM - 370 0 -122.1 129.9 179.8 -166.9 10.2 164.3 0 0.0 0 0.0 0 0.0 0 0.0 8 30
377 A 413 HIS H E E FM - 369 0 -122.4 133.8 -179.0 -125.4 22.3 165.7 369 -2.2 369 -2.9 0 0.0 379 -0.5 9 39
378 A 414 LYS K E E FM - 368 0 -76.7 117.5 -178.6 -148.2 29.6 129.2 0 0.0 0 0.0 0 0.0 0 0.0 9 43
379 A 415 SER S e - 0 0 -85.9 155.6 176.0 -117.9 14.6 126.0 367 -2.7 0 0.0 377 -0.5 0 0.0 12 56
380 A 416 ILE I E E Gn + 540 0 -90.7 127.3 179.8 178.0 35.3 141.6 539 -2.6 541 -3.1 0 0.0 0 0.0 11 49
381 A 417 ASN N E E Gn + 541 0 -135.1 102.5 -179.6 162.6 16.4 151.9 0 0.0 0 0.0 0 0.0 0 0.0 9 53
382 A 418 ARG R e + 0 0 -96.3 -6.5 -179.0 74.2 67.5 56.7 541 -0.6 0 0.0 0 0.0 0 0.0 7 44
383 A 419 SER S S S S+ 0 0 -79.8 -20.6 -179.2 74.3 83.3 44.4 541 -0.6 385 -0.6 0 0.0 0 0.0 9 48
384 A 420 LEU L + 0 0 -104.2 120.1 176.5 158.1 48.0 148.1 0 0.0 0 0.0 0 0.0 0 0.0 9 55
385 A 421 ILE I - 0 0 -135.1 118.8 -178.5 -130.6 35.5 169.7 383 -0.6 0 0.0 0 0.0 0 0.0 8 51
386 A 422 VAL V S S S+ 0 0 -72.6 143.9 -179.8 26.1 81.6 116.6 0 0.0 0 0.0 0 0.0 0 0.0 13 60
387 A 423 GLY G S S S+ 0 0 70.1 80.9 -177.0 166.6 75.5 8.6 266 -2.5 0 0.0 265 -0.8 0 0.0 14 60
388 A 424 LEU L + 0 0 -99.0 -60.5 -175.8 3.5 52.5 16.0 265 -2.4 0 0.0 0 0.0 0 0.0 12 54
389 A 425 LYS K - 0 0 -136.1 73.3 -176.4 -161.9 61.3 118.3 0 0.0 0 0.0 0 0.0 0 0.0 11 51
390 A 426 ILE I e - 0 0 -56.4 110.9 -176.0 -175.3 24.8 108.4 0 0.0 403 -3.2 0 0.0 404 -0.7 12 62
391 A 427 SER S E E HOB + 402 263 -123.0 147.8 176.8 159.1 23.8 155.9 263 -2.2 263 -2.1 0 0.0 0 0.0 13 56
392 A 428 THR T E E HO - 401 0 -152.9 153.8 179.3 -80.8 51.0 161.9 401 -1.7 401 -2.6 0 0.0 0 0.0 15 58
393 A 429 LYS K E E HO - 400 0 -62.8 140.2 178.7 -110.2 49.8 107.3 0 0.0 0 0.0 0 0.0 0 0.0 13 53
394 A 430 SER S e > T - 0 0 -66.7 154.8 -178.7 -92.2 40.0 108.0 399 -2.3 397 -0.6 0 0.0 0 0.0 9 39
395 A 431 VAL V T T 3 TS- 0 0 -78.1 121.1 178.9 -9.8 101.9 125.1 0 0.0 0 0.0 0 0.0 0 0.0 7 36
396 A 432 GLY G T T 3 TS+ 0 0 78.7 -6.8 179.1 69.9 124.1 67.8 0 0.0 0 0.0 0 0.0 0 0.0 8 30
397 A 433 ARG R S t < TS- 0 0 -137.5 165.9 -179.8 -116.3 82.0 154.6 394 -0.6 0 0.0 0 0.0 0 0.0 6 34
398 A 434 ASP D S S S+ 0 0 -80.5 -4.4 -178.6 110.1 76.5 59.3 0 0.0 0 0.0 0 0.0 0 0.0 6 41
399 A 435 GLU E S e S- 0 0 -72.5 152.2 179.6 -107.9 74.9 108.5 0 0.0 394 -2.3 0 0.0 0 0.0 6 27
400 A 436 ARG R E E HO - 393 0 -82.2 133.2 176.8 -147.9 25.3 132.2 0 0.0 0 0.0 0 0.0 0 0.0 8 35
401 A 437 GLU E E E HO - 392 0 -101.2 126.7 -179.2 -141.2 10.1 155.5 392 -2.6 392 -1.7 0 0.0 403 -0.7 8 36
402 A 438 ASP D E E HO + 391 0 -89.7 118.3 -179.5 174.3 23.7 141.5 0 0.0 0 0.0 0 0.0 0 0.0 9 39
403 A 439 ILE I h > > T + 0 0 -108.2 14.7 179.0 114.3 43.0 74.1 390 -3.2 406 -2.6 401 -0.7 407 -0.6 10 42
404 A 440 THR T H H > > TS+ 0 0 -50.5 -36.7 -178.0 64.4 71.4 30.8 390 -0.7 408 -2.0 0 0.0 407 -1.5 11 49
405 A 441 HIS H H H 4 3 TS+ 0 0 -62.9 -20.1 -178.6 60.4 94.4 44.4 0 0.0 0 0.0 0 0.0 0 0.0 8 37
406 A 442 THR T H H 4 < TS+ 0 0 -82.2 -19.0 179.2 36.5 111.8 45.0 403 -2.6 0 0.0 0 0.0 0 0.0 9 47
407 A 443 TYR Y H H < < TS+ 0 0 -100.6 -25.0 -177.5 34.1 123.8 48.3 404 -1.5 0 0.0 403 -0.6 0 0.0 11 59
408 A 444 LYS K h < T - 0 0 -141.3 144.9 176.1 -134.8 65.1 170.7 404 -2.0 0 0.0 0 0.0 0 0.0 9 52
409 A 445 TYR Y - 0 0 -83.0 157.6 -179.9 -71.3 58.8 121.6 0 0.0 0 0.0 0 0.0 0 0.0 10 37
410 A 446 PRO P t > T - 0 0 -50.0 144.6 -179.5 -91.1 63.0 96.2 0 0.0 413 -1.7 0 0.0 0 0.0 8 30
411 A 447 GLU E T T 3 TS+ 0 0 -60.7 134.2 179.7 6.7 110.2 109.3 0 0.0 0 0.0 0 0.0 0 0.0 5 34
412 A 448 GLY G T T 3 TS+ 0 0 66.9 19.9 178.4 137.9 96.2 43.6 0 0.0 0 0.0 0 0.0 0 0.0 6 24
413 A 449 SER S h > < T - 0 0 -90.5 166.2 -179.6 -113.3 66.3 121.8 410 -1.7 417 -1.6 0 0.0 0 0.0 8 21
414 A 450 SER S H H > TS+ 0 0 -67.0 -40.4 179.9 52.9 116.6 27.3 0 0.0 418 -1.9 0 0.0 0 0.0 6 19
415 A 451 GLU E H H > TS+ 0 0 -65.7 -31.7 177.4 55.2 104.8 31.6 0 0.0 419 -2.5 0 0.0 0 0.0 8 27
416 A 452 GLU E H H > TS+ 0 0 -63.8 -43.0 179.3 52.9 106.4 17.5 0 0.0 420 -2.7 0 0.0 0 0.0 13 36
417 A 453 ARG R H H X TS+ 0 0 -57.4 -41.8 178.9 49.3 108.7 26.5 413 -1.6 421 -1.7 0 0.0 0 0.0 10 28
418 A 454 GLU E H H X TS+ 0 0 -62.3 -52.3 -179.0 47.4 112.0 16.8 414 -1.9 422 -2.6 0 0.0 0 0.0 10 30
419 A 455 ALA A H H X TS+ 0 0 -58.0 -40.3 179.9 49.8 111.9 30.1 415 -2.5 423 -0.7 0 0.0 0 0.0 12 42
420 A 456 PHE F H H < >TS+ 0 0 -70.2 -30.6 178.5 51.4 110.2 34.4 416 -2.7 425 -2.6 0 0.0 0 0.0 11 42
421 A 457 THR T H H < >5TS+ 0 0 -70.3 -46.2 -179.6 50.0 108.2 18.6 417 -1.7 424 -1.5 0 0.0 0 0.0 10 31
422 A 458 ARG R H H < 35TS+ 0 0 -65.9 -13.5 -178.3 45.9 115.9 49.2 418 -2.6 0 0.0 0 0.0 0 0.0 11 31
423 A 459 ALA A T h < 35TS- 0 0 -110.2 2.8 -178.7 -119.8 109.9 65.0 419 -0.7 0 0.0 0 0.0 0 0.0 9 42
424 A 460 ASN N T T <5TS+ 0 0 54.1 60.2 -176.8 120.2 79.1 8.8 421 -1.5 0 0.0 0 0.0 0 0.0 6 32
425 A 461 HIS H t T - 549 0 -110.8 151.2 177.5 -100.7 25.3 138.5 0 0.0 451 -2.3 0 0.0 0 0.0 10 46
449 A 485 MET M T T 3 TS+ 0 0 -59.8 121.5 178.9 34.1 114.2 118.4 549 -3.3 0 0.0 0 0.0 0 0.0 12 53
450 A 486 GLY G T T 3 TS+ 0 0 113.4 -9.4 -178.5 95.9 100.6 73.7 0 0.0 0 0.0 0 0.0 0 0.0 9 53
451 A 487 SER S t < T - 0 0 -116.2 168.5 176.9 -120.2 68.8 128.2 448 -2.3 0 0.0 0 0.0 0 0.0 10 41
452 A 488 ASP D + 0 0 -97.3 153.5 -179.3 166.1 41.6 135.6 0 0.0 0 0.0 0 0.0 0 0.0 9 39
453 A 489 PHE F E E I Q - 0 510 -165.3 159.1 178.6 -120.8 32.0 170.3 510 -2.1 510 -2.9 0 0.0 0 0.0 8 42
454 A 490 ASP D E E I Q - 0 509 -107.5 146.6 174.8 -176.4 21.0 141.2 0 0.0 0 0.0 0 0.0 0 0.0 9 44
455 A 491 VAL V E E I Q - 0 508 -127.0 171.4 -176.7 -133.1 20.7 149.9 508 -1.5 508 -2.2 0 0.0 0 0.0 12 50
456 A 492 PHE F E E IPQ - 442 507 -138.3 146.6 174.9 -141.9 15.0 163.3 442 -2.8 442 -2.7 0 0.0 458 -0.7 11 50
457 A 493 ALA A E E IPQ - 441 506 -97.5 117.6 -178.1 -157.6 33.0 157.1 506 -2.8 506 -2.9 0 0.0 459 -0.7 14 56
458 A 494 HIS H E E IPQ - 440 505 -108.5 112.0 -175.9 -167.1 8.2 153.4 440 -3.4 440 -1.8 456 -0.7 0 0.0 12 49
459 A 495 ILE I E E IPQ - 439 504 -103.2 133.5 -179.8 -162.7 5.0 142.4 504 -2.7 504 -2.8 457 -0.7 461 -0.5 11 55
460 A 496 THR T E E IPQ - 438 503 -119.2 121.0 177.9 -171.9 5.4 164.0 438 -3.0 438 -1.8 0 0.0 462 -0.7 11 44
461 A 497 ASN N E E IPQ + 437 502 -111.0 91.1 179.3 173.6 8.4 146.3 502 -3.2 502 -1.3 459 -0.5 463 -1.2 13 35
462 A 498 ASN N e + 0 0 -93.8 61.8 -175.5 97.8 51.8 114.1 436 -1.5 0 0.0 460 -0.7 0 0.0 9 24
463 A 499 THR T S S S- 0 0 -145.4 159.9 179.5 -125.8 78.5 158.5 461 -1.2 501 -2.2 0 0.0 0 0.0 9 25
464 A 500 ALA A S S S+ 0 0 -82.1 -19.4 -179.6 84.4 86.5 48.4 0 0.0 0 0.0 0 0.0 0 0.0 6 18
465 A 501 GLU E S S S- 0 0 -83.9 153.6 175.2 -132.3 74.4 117.3 0 0.0 467 -0.6 0 0.0 0 0.0 6 24
466 A 502 GLU E - 0 0 -107.3 123.4 -178.4 -158.4 25.4 162.0 0 0.0 0 0.0 0 0.0 0 0.0 9 30
467 A 503 TYR Y E E GR - 498 0 -98.8 157.8 175.7 -153.0 13.2 127.0 498 -1.4 498 -2.2 465 -0.6 0 0.0 9 39
468 A 504 VAL V E E GR + 497 0 -129.9 108.9 -175.9 159.3 35.5 161.1 0 0.0 0 0.0 0 0.0 0 0.0 9 37
469 A 505 CYS C E E GR - 496 0 -123.7 -176.9 176.2 -115.6 40.2 130.1 496 -2.7 496 -2.3 0 0.0 0 0.0 13 46
470 A 506 ARG R E E G*S - 0 532 -124.6 137.1 -177.1 -161.4 23.9 163.4 532 -1.8 532 -2.8 0 0.0 0 0.0 12 44
471 A 507 LEU L E E GRS - 493 531 -124.0 119.5 -179.7 -163.8 1.5 170.5 493 -2.5 493 -2.6 0 0.0 473 -0.7 12 55
472 A 508 LEU L E E GRS - 492 530 -110.4 114.2 -179.4 -172.2 9.6 156.6 530 -3.0 530 -1.8 0 0.0 0 0.0 13 56
473 A 509 LEU L E E GRS + 491 529 -106.8 132.0 -178.6 168.9 8.8 154.6 491 -3.4 491 -2.3 471 -0.7 0 0.0 14 57
474 A 510 CYS C E E GRS - 490 528 -145.8 133.6 -179.8 -166.5 14.0 175.6 528 -2.5 528 -2.5 0 0.0 0 0.0 12 53
475 A 511 ALA A E E G*S + 0 527 -122.3 136.8 -177.9 172.2 14.0 168.3 489 -3.0 488 -3.5 0 0.0 0 0.0 13 62
476 A 512 ARG R E E GRS - 487 526 -143.8 147.6 178.1 -108.9 34.8 168.2 526 -2.0 526 -3.9 0 0.0 0 0.0 14 56
477 A 513 THR T E E G*S - 0 525 -68.7 154.3 178.5 -167.3 39.7 109.6 486 -1.0 485 -2.9 0 0.0 0 0.0 16 54
478 A 514 VAL V E E GRS - 484 524 -146.5 148.5 174.7 -127.0 21.4 171.5 524 -1.8 524 -0.5 0 0.0 0 0.0 14 51
479 A 515 SER S e > T - 0 0 -81.8 166.6 -178.5 -103.9 41.9 115.9 483 -1.7 482 -1.8 0 0.0 0 0.0 12 56
480 A 516 TYR Y T T 3 TS+ 0 0 -65.7 -25.7 -178.6 58.5 120.1 32.2 0 0.0 297 -1.8 0 0.0 298 -0.8 10 63
481 A 517 ASN N T T 3 TS- 0 0 -89.6 12.5 177.0 -91.6 125.5 75.1 0 0.0 0 0.0 0 0.0 0 0.0 11 60
482 A 518 GLY G S t < TS+ 0 0 104.9 -14.4 -178.5 144.7 73.5 76.0 479 -1.8 484 -0.7 0 0.0 0 0.0 11 63
483 A 519 ILE I e - 0 0 -68.8 107.6 179.7 -144.6 40.5 118.8 0 0.0 479 -1.7 0 0.0 0 0.0 8 48
484 A 520 LEU L E E GR - 478 0 -75.4 132.4 177.5 -163.0 13.7 120.4 482 -0.7 0 0.0 0 0.0 0 0.0 8 48
485 A 521 GLY G E E G* - 0 0 -99.6 -170.2 -179.9 -50.9 43.1 106.0 477 -2.9 0 0.0 0 0.0 0 0.0 10 41
486 A 522 PRO P E E G* - 0 0 -66.2 148.9 178.8 -91.7 67.8 110.2 0 0.0 477 -1.0 0 0.0 0 0.0 7 36
487 A 523 GLU E E E GR - 476 0 -56.3 147.8 -178.4 -173.1 34.4 102.0 0 0.0 0 0.0 0 0.0 0 0.0 9 43
488 A 524 CYS C E E G* S+ 0 0 -137.4 33.3 178.2 12.4 70.3 95.4 475 -3.5 511 -0.6 0 0.0 0 0.0 12 45
489 A 525 GLY G E E G* + 0 0 155.4 126.0 -180.0 177.6 63.7 114.5 0 0.0 475 -3.0 0 0.0 0 0.0 12 47
490 A 526 THR T E E GR + 474 0 -143.9 153.4 178.4 176.6 6.3 169.1 0 0.0 0 0.0 0 0.0 0 0.0 10 43
491 A 527 LYS K E E GR - 473 0 -157.0 131.8 -177.0 -170.1 6.6 156.9 473 -2.3 473 -3.4 0 0.0 0 0.0 8 40
492 A 528 TYR Y E E GR - 472 0 -134.0 110.4 -177.4 -171.8 1.3 158.8 0 0.0 494 -0.5 0 0.0 0 0.0 8 36
493 A 529 LEU L E E GR - 471 0 -104.2 126.9 -179.4 -176.3 4.5 151.4 471 -2.6 471 -2.5 0 0.0 0 0.0 8 36
494 A 530 LEU L E E G* S+ 0 0 -100.4 -11.2 177.6 37.4 78.5 52.3 492 -0.5 0 0.0 0 0.0 0 0.0 7 25
495 A 531 ASN N E E G* S+ 0 0 -134.4 51.6 178.8 165.0 70.1 105.4 0 0.0 0 0.0 0 0.0 0 0.0 7 24
496 A 532 LEU L E E GR - 469 0 -68.9 116.5 178.1 -150.4 25.8 123.6 469 -2.3 469 -2.7 0 0.0 498 -0.6 9 39
497 A 533 THR T E E GR - 468 0 -93.8 118.4 179.6 -165.2 8.9 146.9 0 0.0 499 -0.6 0 0.0 0 0.0 8 35
498 A 534 LEU L E E GR - 467 0 -104.5 114.6 179.4 -142.4 15.4 161.3 467 -2.2 467 -1.4 496 -0.6 0 0.0 12 39
499 A 535 GLU E t > T - 0 0 -76.0 153.0 -179.4 -87.0 29.3 113.7 497 -0.6 502 -0.7 0 0.0 0 0.0 10 28
500 A 536 PRO P T T 3 TS+ 0 0 -62.4 143.9 179.9 4.7 106.3 104.4 0 0.0 0 0.0 0 0.0 0 0.0 11 23
501 A 537 PHE F T T 3 TS+ 0 0 47.6 50.5 -179.2 112.4 112.5 23.8 463 -2.2 0 0.0 0 0.0 0 0.0 9 23
502 A 538 SER S E E IQ < T - 461 0 -144.8 170.6 178.8 -133.6 60.0 157.9 461 -1.3 461 -3.2 499 -0.7 0 0.0 9 26
503 A 539 GLU E E E IQ - 460 0 -126.8 148.5 178.5 -161.3 15.6 153.5 0 0.0 0 0.0 0 0.0 0 0.0 10 33
504 A 540 LYS K E E IQ - 459 0 -132.8 143.1 -179.5 -156.5 4.4 172.4 459 -2.8 459 -2.7 0 0.0 0 0.0 8 37
505 A 541 SER S E E IQ - 458 0 -122.5 118.1 179.2 -167.4 7.2 168.9 0 0.0 0 0.0 0 0.0 0 0.0 8 40
506 A 542 VAL V E E IQ - 457 0 -110.1 118.3 -180.0 -142.3 14.8 161.1 457 -2.9 457 -2.8 0 0.0 0 0.0 7 48
507 A 543 PRO P E E IQ - 456 0 -79.6 148.4 178.2 -165.2 11.1 120.9 0 0.0 0 0.0 0 0.0 0 0.0 8 39
508 A 544 LEU L E E IQ - 455 0 -132.8 115.6 179.4 -141.0 17.2 170.5 455 -2.2 455 -1.5 0 0.0 510 -0.5 12 47
509 A 545 CYS C E E IQ - 454 0 -83.8 121.0 179.2 -164.5 13.9 136.1 0 0.0 511 -0.6 0 0.0 0 0.0 9 43
510 A 546 ILE I E E IQ - 453 0 -109.1 117.1 -177.6 -158.6 10.3 158.1 453 -2.9 453 -2.1 508 -0.5 0 0.0 13 52
511 A 547 LEU L h > > T - 0 0 -103.3 142.8 177.3 -135.6 24.5 143.0 488 -0.6 515 -1.2 509 -0.6 514 -0.9 11 41
512 A 548 TYR Y H H > > TS+ 0 0 -54.7 -47.1 178.9 59.0 108.0 27.1 0 0.0 516 -2.6 0 0.0 515 -0.6 10 44
513 A 549 GLU E H H 4 3 TS+ 0 0 -54.0 -31.4 179.9 47.4 109.0 30.6 0 0.0 0 0.0 0 0.0 0 0.0 6 31
514 A 550 LYS K H H 4 < TS+ 0 0 -84.3 -23.2 -177.9 30.4 121.4 42.2 511 -0.9 0 0.0 0 0.0 0 0.0 9 38
515 A 551 TYR Y H H X < TS+ 0 0 -114.1 -7.0 179.5 87.0 94.5 57.8 511 -1.2 519 -1.5 512 -0.6 0 0.0 12 49
516 A 552 ARG R T h < TS+ 0 0 -61.0 -35.2 -176.4 56.7 84.8 32.5 512 -2.6 0 0.0 0 0.0 0 0.0 8 47
517 A 553 ASP D T T 4 TS+ 0 0 -67.2 -45.3 -177.8 21.3 120.3 20.4 0 0.0 0 0.0 0 0.0 0 0.0 6 37
518 A 554 CYS C T T 4 TS+ 0 0 -104.9 -2.6 -179.1 122.1 84.6 62.7 0 0.0 0 0.0 0 0.0 0 0.0 8 42
519 A 555 LEU L t < T - 0 0 -61.8 137.1 178.4 -138.7 54.1 111.2 515 -1.5 0 0.0 0 0.0 0 0.0 14 58
520 A 556 THR T t > T - 0 0 -89.7 174.2 179.4 -94.0 30.1 118.2 0 0.0 523 -2.3 0 0.0 0 0.0 10 58
521 A 557 GLU E T T 3 TS+ 0 0 -65.7 -3.4 179.4 71.3 120.3 56.5 0 0.0 0 0.0 0 0.0 0 0.0 7 64
522 A 558 SER S T T 3 TS- 0 0 -88.7 -5.3 178.6 -137.3 98.1 60.6 0 0.0 0 0.0 0 0.0 0 0.0 10 70
523 A 559 ASN N e < T + 0 0 51.4 45.6 -179.7 152.5 47.4 33.3 520 -2.3 548 -2.7 0 0.0 0 0.0 12 68
524 A 560 LEU L E E GST + 478 547 -110.8 140.6 178.5 178.1 24.1 147.4 478 -0.5 478 -1.8 0 0.0 0 0.0 15 69
525 A 561 ILE I E E GST - 477 546 -133.6 137.8 -179.7 -141.9 20.5 172.0 546 -1.5 546 -2.9 0 0.0 527 -0.6 13 70
526 A 562 LYS K E E GST - 476 545 -111.8 116.5 179.7 -158.9 10.0 156.3 476 -3.9 476 -2.0 0 0.0 0 0.0 12 70
527 A 563 VAL V E E GST - 475 544 -91.5 136.9 -177.7 -170.7 11.6 138.7 544 -2.5 544 -2.1 525 -0.6 0 0.0 13 70
528 A 564 ARG R E E GST - 474 543 -131.4 143.1 -177.9 -175.5 7.1 166.9 474 -2.5 474 -2.5 0 0.0 0 0.0 13 67
529 A 565 ALA A E E GST - 473 542 -144.5 130.7 178.7 -174.6 5.5 176.5 542 -2.8 542 -2.8 0 0.0 0 0.0 15 69
530 A 566 LEU L E E GST - 472 541 -127.4 122.6 -179.1 -172.3 4.9 175.0 472 -1.8 472 -3.0 0 0.0 532 -0.5 13 67
531 A 567 LEU L E E GST - 471 540 -116.3 124.4 179.5 -171.6 7.3 166.3 540 -2.7 540 -3.0 0 0.0 0 0.0 11 68
532 A 568 VAL V E E GST - 470 539 -123.9 133.8 177.6 -156.4 17.5 163.2 470 -2.8 470 -1.8 530 -0.5 0 0.0 11 58
533 A 569 GLU E E E >G T >T - 0 538 -105.3 107.6 -178.4 -160.4 11.4 161.1 538 -2.2 538 -1.9 0 0.0 537 -1.2 12 48
534 A 570 PRO P T T 4 5TS+ 0 0 -58.8 -32.9 -180.0 65.2 79.2 43.1 0 0.0 0 0.0 0 0.0 0 0.0 7 32
535 A 571 VAL V T T 4 5TS+ 0 0 -57.2 -70.5 179.1 17.6 121.5 6.7 0 0.0 0 0.0 0 0.0 0 0.0 5 23
536 A 572 ILE I T T 4 5TS- 0 0 -76.6 -12.4 -179.0 -126.8 107.3 51.7 0 0.0 0 0.0 0 0.0 0 0.0 5 24
537 A 573 ASN N T T < 5T + 0 0 61.9 53.3 179.6 167.3 48.7 19.5 533 -1.2 0 0.0 0 0.0 0 0.0 7 33
538 A 574 SER S E E G T > T - 0 0 161.6 120.0 179.8 -105.9 43.4 112.4 0 0.0 593 -2.4 0 0.0 594 -1.4 14 66
591 A 627 ALA A T T 4 3 TS+ 0 0 -62.4 119.1 -179.4 25.5 111.5 117.4 0 0.0 0 0.0 0 0.0 0 0.0 15 60
592 A 628 GLY G T T 4 3 TS+ 0 0 113.1 -20.7 180.0 61.4 117.5 84.3 0 0.0 622 -1.0 0 0.0 0 0.0 10 59
593 A 629 LEU L T T 4 < TS+ 0 0 -109.2 -23.7 177.1 5.2 115.1 52.5 590 -2.4 619 -1.0 0 0.0 0 0.0 13 62
594 A 630 THR T t < T - 0 0 -158.9 150.0 179.2 -152.7 43.9 164.1 590 -1.4 0 0.0 0 0.0 0 0.0 12 56
595 A 631 GLU E S S S+ 0 0 -95.2 -16.3 -178.8 52.7 91.5 51.2 0 0.0 0 0.0 0 0.0 0 0.0 8 46
596 A 632 GLU E S S S- 0 0 -120.9 148.1 176.7 -116.1 88.8 151.7 0 0.0 0 0.0 0 0.0 0 0.0 5 41
597 A 633 GLN Q - 0 0 -79.9 130.8 179.3 -143.5 37.0 132.7 0 0.0 0 0.0 0 0.0 0 0.0 10 46
598 A 634 LYS K E E KX - 588 0 -100.1 147.8 -179.8 -174.1 18.3 140.5 588 -1.9 588 -2.5 0 0.0 0 0.0 8 41
599 A 635 THR T E E KX - 587 0 -138.0 147.0 179.0 -174.7 7.7 166.8 0 0.0 0 0.0 0 0.0 0 0.0 9 40
600 A 636 VAL V E E KX - 586 0 -146.5 118.6 179.6 -156.6 10.1 157.7 586 -2.0 586 -2.4 0 0.0 0 0.0 9 35
601 A 637 GLU E E E KX - 585 0 -92.4 156.0 177.7 -136.7 13.1 127.1 0 0.0 0 0.0 0 0.0 0 0.0 8 33
602 A 638 ILE I e - 0 0 -113.6 115.5 -179.5 -156.9 9.6 165.3 584 -2.3 0 0.0 0 0.0 0 0.0 8 35
603 A 639 PRO P S S S+ 0 0 -56.2 -50.1 -177.5 56.5 71.5 23.6 0 0.0 0 0.0 0 0.0 0 0.0 6 22
604 A 640 ASP D S S S- 0 0 -93.6 149.5 179.7 -101.1 91.0 124.6 0 0.0 0 0.0 0 0.0 0 0.0 6 24
605 A 641 PRO P - 0 0 -63.7 148.1 179.7 -126.9 29.5 105.8 0 0.0 607 -0.7 0 0.0 0 0.0 10 34
606 A 642 VAL V B B F - 581 0 -101.8 109.8 -177.3 -135.3 29.7 152.9 581 -2.5 581 -2.7 0 0.0 0 0.0 12 36
607 A 643 GLU E - 0 0 -66.1 158.7 -179.7 -84.3 30.3 98.1 605 -0.7 0 0.0 0 0.0 0 0.0 9 28
608 A 644 ALA A S S S+ 0 0 -29.4 -48.1 179.8 22.7 124.1 48.2 0 0.0 0 0.0 0 0.0 0 0.0 11 28
609 A 645 GLY G S S S+ 0 0 -97.6 -25.5 -176.0 111.1 101.2 35.3 0 0.0 0 0.0 0 0.0 0 0.0 9 23
610 A 646 GLU E e - 0 0 -49.9 157.8 177.5 -133.3 57.3 74.5 0 0.0 575 -2.0 0 0.0 0 0.0 8 27
611 A 647 GLU E E E JV - 574 0 -110.7 158.0 -179.7 -144.4 11.1 140.6 0 0.0 0 0.0 0 0.0 0 0.0 9 39
612 A 648 VAL V E E JV + 573 0 -123.8 135.9 -178.1 175.2 22.5 175.3 573 -2.5 573 -1.7 0 0.0 0 0.0 9 45
613 A 649 LYS K E E JV + 572 0 -147.2 136.2 179.1 162.5 5.2 178.3 0 0.0 0 0.0 0 0.0 0 0.0 8 46
614 A 650 VAL V E E JV - 571 0 -145.9 167.4 -179.3 -126.0 28.5 162.0 571 -2.4 571 -2.1 0 0.0 0 0.0 8 40
615 A 651 ARG R E E JV - 570 0 -123.1 130.6 179.0 -160.7 15.4 164.3 0 0.0 0 0.0 0 0.0 0 0.0 8 39
616 A 652 MET M E E JV - 569 0 -107.9 139.7 179.3 -134.8 16.7 157.0 569 -2.8 569 -2.5 0 0.0 618 -0.6 12 46
617 A 653 ASP D E E JV - 568 0 -97.8 124.1 -179.6 -174.4 26.0 144.4 0 0.0 0 0.0 0 0.0 0 0.0 8 41
618 A 654 LEU L E E JV - 567 0 -116.2 158.7 178.9 -162.6 21.1 142.5 567 -3.6 567 -2.1 616 -0.6 0 0.0 10 50
619 A 655 VAL V - 0 0 -139.1 79.0 -179.9 -156.8 19.7 134.8 593 -1.0 0 0.0 0 0.0 0 0.0 10 42
620 A 656 PRO P - 0 0 -63.0 126.0 -178.4 -176.7 13.4 115.9 0 0.0 564 -2.7 0 0.0 0 0.0 15 48
621 A 657 LEU L + 0 0 -105.5 2.9 -179.4 63.5 59.5 69.9 0 0.0 0 0.0 0 0.0 0 0.0 9 42
622 A 658 HIS H - 0 0 -133.5 145.5 178.2 -132.5 69.8 168.8 592 -1.0 0 0.0 0 0.0 0 0.0 9 47
623 A 659 MET M + 0 0 -84.3 168.6 179.4 47.7 64.4 114.2 0 0.0 0 0.0 0 0.0 0 0.0 12 38
624 A 660 GLY G S S S- 0 0 95.2 177.8 -179.5 -26.8 96.1 103.4 648 -1.9 0 0.0 0 0.0 0 0.0 7 36
625 A 661 LEU L + 0 0 -72.0 136.1 178.4 167.2 59.2 115.4 0 0.0 0 0.0 0 0.0 0 0.0 8 40
626 A 662 HIS H E E K Y - 0 646 -145.5 144.4 176.8 -130.8 29.8 172.5 646 -2.1 646 -3.5 0 0.0 0 0.0 13 55
627 A 663 LYS K E E K Y - 0 645 -98.5 131.5 177.2 -149.5 11.7 146.1 0 0.0 629 -0.8 0 0.0 0 0.0 12 61
628 A 664 LEU L E E K Y - 0 644 -95.4 113.9 178.1 -160.5 21.4 157.5 644 -2.6 644 -1.5 0 0.0 0 0.0 12 69
629 A 665 VAL V E E KWY - 589 643 -102.1 137.3 -176.8 -169.0 8.3 149.7 589 -2.5 589 -1.4 627 -0.8 0 0.0 15 67
630 A 666 VAL V E E KWY - 588 642 -130.0 147.3 179.0 -166.7 12.3 162.4 642 -3.0 642 -1.3 0 0.0 0 0.0 12 69
631 A 667 ASN N E E KWY - 587 641 -127.3 140.4 177.2 -156.5 7.1 167.0 587 -2.5 587 -2.5 0 0.0 0 0.0 13 65
632 A 668 PHE F E E KWY - 586 640 -117.5 139.6 -179.2 -176.2 14.7 163.9 640 -2.3 640 -1.8 0 0.0 0 0.0 12 63
633 A 669 GLU E E E KW + 585 0 -135.0 146.4 178.3 145.5 12.9 165.2 585 -2.1 585 -2.1 0 0.0 0 0.0 13 59
634 A 670 SER S - 0 0 -163.5 -178.5 -177.4 -87.9 57.6 159.7 0 0.0 0 0.0 0 0.0 0 0.0 11 53
635 A 671 ASP D S S S+ 0 0 -71.9 -38.2 -177.3 17.8 121.8 25.1 582 -2.2 0 0.0 0 0.0 0 0.0 9 44
636 A 672 LYS K S S S+ 0 0 -115.6 1.7 -179.6 50.1 125.6 64.8 0 0.0 0 0.0 0 0.0 0 0.0 6 45
637 A 673 LEU L S S S- 0 0 -142.9 102.6 -175.9 -178.8 76.2 152.9 0 0.0 0 0.0 0 0.0 0 0.0 8 59
638 A 674 LYS K + 0 0 -114.6 155.3 175.9 4.2 46.4 139.4 0 0.0 0 0.0 0 0.0 0 0.0 10 57
639 A 675 ALA A + 0 0 53.3 36.6 178.0 169.9 66.2 35.8 0 0.0 0 0.0 0 0.0 0 0.0 10 61
640 A 676 VAL V E E KY - 632 0 -82.9 126.5 -177.1 -151.6 20.1 133.9 632 -1.8 632 -2.3 0 0.0 0 0.0 11 60
641 A 677 LYS K E E KY + 631 0 -95.7 166.9 178.0 163.1 23.0 119.4 0 0.0 0 0.0 0 0.0 0 0.0 12 59
642 A 678 GLY G E E KY - 630 0 -171.0 156.7 178.0 -175.6 8.0 159.8 630 -1.3 630 -3.0 0 0.0 0 0.0 12 57
643 A 679 PHE F E E KY - 629 0 -156.8 168.2 179.7 -161.5 9.9 171.6 0 0.0 0 0.0 0 0.0 0 0.0 11 54
644 A 680 ARG R E E KY - 628 0 -157.2 125.6 177.5 -129.1 22.0 160.4 628 -1.5 628 -2.6 0 0.0 0 0.0 8 51
645 A 681 ASN N E E KY - 627 0 -75.5 128.5 178.2 -167.2 26.9 132.7 0 0.0 0 0.0 0 0.0 0 0.0 8 50
646 A 682 VAL V E E KY - 626 0 -119.1 130.6 -179.2 -163.0 10.1 165.6 626 -3.5 626 -2.1 0 0.0 0 0.0 9 54
647 A 683 ILE I - 0 0 -81.1 -50.4 177.8 -171.0 12.9 20.8 0 0.0 0 0.0 0 0.0 0 0.0 9 42
648 A 684 ILE I - 0 0 58.2 99.5 -179.6 -163.9 8.4 20.8 0 0.0 624 -1.9 0 0.0 0 0.0 12 36
649 A 685 GLY G B B e - 562 0 -100.5 -164.8 -179.8 -34.4 36.4 97.1 561 -2.3 563 -2.5 0 0.0 0 0.0 9 25
650 A 686 PRO P 0 0 -55.4 143.9 -179.6 999.9 999.9 97.9 0 0.0 0 0.0 0 0.0 0 0.0 6 21
651 A 687 ALA A 0 0 -60.7 999.9 999.9 999.9 999.9 34.2 0 0.0 0 0.0 0 0.0 0 0.0 6 21
1kv3A.pdb
1KV3 TRANSFERASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHT TTT SSSEEEETTSEEEEE EEEEE SSS TTTTSEEEEE SS SS EEEEEE TT EEEEE TT EEEEEEE EEE Kabs/Sand
chirality +++++-++++++-+--+--++----- ----+++-+---++-++--+--+-+-+-+-++-+-++---++--+------++--+----+--- --- chirality
bends SSSSSS SSS SSS SSS SSS SSSSS SS SS SS SS S bends
turns TTTTTTTTTTTTT TTTT TTTTTT TTTT TTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >33< >33< >33< >33< 3-turns
bridge-2 DDDD EEEEE FFFF FFF bridge-2
bridge-1 aaaa BBBBB CCCCC CCCCC EEEE*E BBBBB DDDD aa bridge-1
sheets AAAA BBBBB AAAAA AAAAA BBBBBB BBBBB AAAAAAA AAA sheets
4-turns >>>><<<<>444< 4-turns
summary hHHHHHHhtTTTtSSSEEEEeTeEEEEEe eEEEEEeSSS tTTTTeEEEEEe SS SS EEEEEE tTTteEEEEEetTTt EEEEEEEe eEEE summary
sequence ETNGRDHHTADLCREKLVVRRGQPFWLTLSLTFSVVTGPAPSQEAGTKARFPLRDAVEEGDWTATVVDQQDCTLSLQLTTPANAPIGLYRLSLEASGHFI sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EE TT TTSTT S HHHHHHHTT EEEEEEEETTEEEEEEEE TTSTTHHHHHHHHHHTSHHHHHHHHHHHHHTT HHHHHHHHHHHHTTSTTT S Kabs/Sand
chirality +--+++-++-++--+-+++++++++-++---++--++-------+-+++-+++++++++++++-++++--+++++++++-+++++++++++-++-+++-+ chirality
bends SS SSSSS S SSSSSSSSS S SSS SSSSSSSSSSSSSSSSSSSSSS SSSSSSS S SSSSSSSSSSSSSSSSSS S bends
turns TTTTTTTTTT TTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >>555<< >5555< 5-turns
3-turns >33X33X33< >33< >33X33< >33X33< >33< >33< >>3<< 3-turns
bridge-2 F a bridge-2
bridge-1 aa GGGGGGGG GGGGGGGG bridge-1
sheets AA CCCCCCCC CCCCCCCC sheets
4-turns >>>>X<<<< >>>>XXXX<<<<>>>><>X<<<< >>>>XXXXXX<<<< >444< 4-turns
summary EE tTTtTTtTTt ShHHHHHHHhTteEEEEEEEETTEEEEEEEEetTTtThHHHHHHHHHHhhHHHHHHHHHHHHHhThHHHHHHHHHHHHhTtTTTte summary
sequence LLFNAWCPADAVYLDSEEERQEYVLTQQGFIYQGSAKFIKNIPWNFGQFQDGILDICLILLDVNPKFLKNAGRDCSRRSSPVYVGRVGSGMVNCNDDQGV sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EEE SS TTS GGG BSHHHHHHHHTTTS EEEE HHHHHHHHHHHHHHTT EEEEEEEEE SSSS SEEEEEE TTS B SS EEEEE Kabs/Sand
chirality --+++-+++++---+++-+-++++++++++--+---++--++++++++++++++-+-+------+--+++--+-+-------+-+---+-+--------+ chirality
bends SS SSS SSS SSSSSSSSSSSSS S SSSSSSSSSSSSSSSS SS SSSS S SSS SS S bends
turns TTTT TTTTT TTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT TTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >>3<< >33< >>3<< >33< >33< 3-turns
bridge-2 B C bridge-2
bridge-1 hhh a hh*h IIIIIII*I jjjjjj C I*III bridge-1
sheets DDD DDDD EEEEEEEEE FFFFFF EEEEE sheets
4-turns >444< >>>>XX<<<< >>>>XXXXXXXX<<<< 4-turns
summary EEEe SS tTTt gGGGg BhHHHHHHHHhTTt EEEEhHHHHHHHHHHHHHHhTteEEEEEEEEE SSSS eEEEEEEtTTt B SS EEEEE summary
sequence LLGRWDNNYGDGVSPMSWIGSVDILRRWKNHGCQRVKYGQCWVFAAVACTVLRCLGIPTRVVTNYNSAHDQNSNLLIEYFRNEFGEIQGDKSEMIWNFHC sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand EEEEEE TTSSTT EEEEEEEEEEEETTEEEEEEEEEHHHHHHT TTSTTTHHHHHHHHH EEEEEEE TTS EEE EE S SS EEE TTSSSE Kabs/Sand
chirality ----+--+++--+++++-----+-----+--+----+--+++++-++++-+-++++++++++---------+-+-----+++++-+++--+----+-+-- chirality
bends SSSSSS S S SSS SSSSSS SSSS SSSSSSSS SSS S SS SSSSS bends
turns TTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33<>33< >33< >33<>33< >33< >33< >33< 3-turns
bridge-2 KKKKK LL*L***LLL MMM B bridge-2
bridge-1 IIII KKKKK LLL*L**LL jjjjjj MMM nn OOO O bridge-1
sheets EEEEEE EEEEEEEEEEEE EEEEEEEEE FFFFFFF FFF GG HHH H sheets
4-turns >>>><<<< >44>X>>XXX<<<< 4-turns
summary EEEEEE tTTttTTt EEEEEEEEEEEETTEEEEEEEEEHHHHHHhtTTtTThHHHHHHHHHhEEEEEEEeTTteEEEeEEeS SS eEEEeTTtSeE summary
sequence WVESWMTRPDLQPGYEGWQALDPTPQEKSEGTYCCGPVPVRAIKEGDLSTKYDAPFVFAEVNADVVDWIQQDDGSVHKSINRSLIVGLKISTKSVGRDER sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand EE HHHH TT HHHHHHHHHTT SEEEEEE S BTT EEEEEEEEE SSS EEEEEEEEEEEE TTS EEEEEEEEEEEEEEE T Kabs/Sand
chirality -++++++---++-+++++++++-+++++--++---+--+---------++-+--------++-+---+----+-+----+-+-----+++---++----+ chirality
bends SSSS SS SSSSSSSSSSS S S SS SSS SSS S SS S bends
turns TTTTTT TTTTTTTTTTTTTTTT TTTT TTTT TT turns
5-turns >5555< 5-turns
3-turns >>3<< >33< >33< >33< >33< >3 3-turns
bridge-2 QQQQQQQQQ SSSSSSSSS bridge-2
bridge-1 OO PPPPPP d PPPPPP RRR*RRRR*R*R R**R**RRRR**RRR bridge-1
sheets HH IIIIII IIIIIIIII GGGGGGGGGGGG GGGGGGGGGGGGGGG sheets
4-turns >>44<< >>>>XXX<<<< 4-turns
summary EEhHHHHh tTThHHHHHHHHHhTt eEEEEEE S BTTt EEEEEEEEEeSSS EEEEEEEEEEEEeTTteEEEEEEEEEEEEEEEtT summary
sequence EDITHTYKYPEGSSEEREAFTRANHLNKLAEKEETGMAMRIRVGQSMNMGSDFDVFAHITNNTAEEYVCRLLLCARTVSYNGILGPECGTKYLLNLTLEP sequence
410 420 430 440 450 460 470 480 490 500
author author
Kabs/Sand TEEEEEEEEE HHHHTTT TT EEEEEEEEEETTTTEEEEEEEEEE B EEEEES BSSS EEEEEEEE SSS B S EEEEE TTT SS EEE Kabs/Sand
chirality +----------+++++++--+-++---------++-+---++---------------+--+-++------+----+-+---+-+---++-+++-+----- chirality
bends S SSSSSSS SS SSS S SSS SSS S SSS SS bends
turns TT TTTTTTTTTTTTT TTTTTT TTTTT turns
5-turns >5555< 5-turns
3-turns 3< >>3<< >33< >33< 3-turns
bridge-2 TTTTTTTTTT TTTTTTTTTT VVVVVVVV XXXX bridge-2
bridge-1 QQQQQQQQQ SSSSSSSSS nn d UUUUU e UUUUU F WWWWW XXX bridge-1
sheets IIIIIIIII GGGGGGGGGG GGGGGGGGGG JJJJJ JJJJJJJJ KKKKK KKK sheets
4-turns >>44X<44< >444< >444< 4-turns
summary TEEEEEEEEEhHHHHhTTttTTeEEEEEEEEEETTTTEEEEEEEEEEeB EEEEES BSSS EEEEEEEEe SSS B SeEEEEEtTTTtSS EEE summary
sequence FSEKSVPLCILYEKYRDCLTESNLIKVRALLVEPVINSYLLAERDLYLENPEIKIRILGEPKQKRKLVAEVSLQNPLPVALEGCTFTVEGAGLTEEQKTV sequence
510 520 530 540 550 560 570 580 590 600
author author
Kabs/Sand E SS B SS EEEEEEEE S EEEEEEEE SSS EEEEEEE B Kabs/Sand
chirality --+----++--++-------+-+-+-------+-++-++-+-------- chirality
bends SS SS S SSS bends
turns turns
5-turns 5-turns
3-turns 3-turns
bridge-2 YYYYYYY bridge-2
bridge-1 X F VVVVVVVV WWWWW YYYYYYY e bridge-1
sheets K JJJJJJJJ KKKKKKKK KKKKKKK sheets
4-turns 4-turns
summary EeSS B SSeEEEEEEEE S EEEEEEEE SSS EEEEEEE B summary
sequence EIPDPVEAGEEVKVRMDLVPLHMGLHKLVVNFESDKLKAVKGFRNVIIGPA sequence
610 620 630 640 650
Messages
chain break between 29(A 43 ) and 30(A 56 )
chain break between 96(A 122 ) and 97(A 133 )