Secondary structure calculation program - copyright by David Keith Smith, 1989
1ibjA.pdb
1IBJ LYASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 380
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 85 ALA A 0 0 999.9 92.2 -179.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 15
2 A 86 SER S h > T - 0 0 -59.6 155.7 178.9 -118.5 999.9 94.5 0 0.0 6 -2.5 0 0.0 0 0.0 5 23
3 A 87 VAL V H H > TS+ 0 0 -62.6 -51.2 -179.6 55.1 115.1 17.3 0 0.0 7 -3.0 0 0.0 0 0.0 9 33
4 A 88 SER S H H > TS+ 0 0 -45.7 -44.9 -178.7 43.9 116.1 20.0 0 0.0 8 -0.8 0 0.0 0 0.0 10 32
5 A 89 THR T H H 4 TS+ 0 0 -69.5 -37.0 179.2 51.2 110.7 33.1 0 0.0 0 0.0 0 0.0 0 0.0 8 24
6 A 90 LEU L H H < > TS+ 0 0 -68.8 -40.3 -179.2 66.4 99.6 21.7 2 -2.5 9 -1.8 0 0.0 0 0.0 8 33
7 A 91 LEU L H H < 3 TS+ 0 0 -51.1 -34.2 179.3 44.1 103.6 38.2 3 -3.0 0 0.0 0 0.0 0 0.0 12 47
8 A 92 VAL V T h < 3 TS+ 0 0 -92.5 -4.3 177.3 119.0 83.1 55.8 4 -0.8 0 0.0 0 0.0 0 0.0 7 38
9 A 93 ASN N t < T - 0 0 -59.9 124.8 177.6 -151.5 54.9 113.8 6 -1.8 11 -0.8 0 0.0 0 0.0 6 34
10 A 94 LEU L + 0 0 -100.9 103.8 -178.3 179.5 17.1 149.5 0 0.0 12 -0.7 0 0.0 0 0.0 7 42
11 A 95 ASP D + 0 0 -106.5 70.1 -178.8 147.4 19.0 120.9 9 -0.8 13 -0.8 0 0.0 0 0.0 5 35
12 A 96 ASN N + 0 0 -108.8 85.6 -180.0 167.0 11.7 134.7 10 -0.7 0 0.0 0 0.0 0 0.0 8 31
13 A 97 LYS K S S S+ 0 0 -59.4 -38.6 -179.9 57.5 76.9 33.3 11 -0.8 0 0.0 0 0.0 0 0.0 4 24
14 A 98 PHE F S S S+ 0 0 -63.3 -38.0 -175.6 96.3 81.4 33.1 0 0.0 0 0.0 0 0.0 0 0.0 4 26
15 A 99 ASP D t > T - 0 0 -70.5 111.0 -179.5 -165.7 52.9 116.5 0 0.0 18 -1.2 0 0.0 0 0.0 9 20
16 A 100 PRO P T T 3 TS+ 0 0 -60.9 -28.6 -175.7 47.0 88.0 46.2 0 0.0 0 0.0 0 0.0 0 0.0 4 15
17 A 101 PHE F T T 3 TS- 0 0 -104.5 7.8 180.0 -132.0 98.1 72.0 0 0.0 0 0.0 0 0.0 0 0.0 4 14
18 A 102 ASP D t < T - 0 0 41.4 52.7 178.4 -168.4 30.9 31.3 15 -1.2 0 0.0 0 0.0 0 0.0 6 17
19 A 103 ALA A - 0 0 -63.5 153.5 177.5 -127.5 28.3 109.4 0 0.0 0 0.0 0 0.0 0 0.0 7 23
20 A 104 MET M S S S+ 0 0 -74.4 -19.8 177.5 54.3 98.8 45.5 0 0.0 0 0.0 0 0.0 0 0.0 5 23
21 A 105 SER S S S S- 0 0 -115.6 141.6 179.4 -104.1 101.7 156.7 0 0.0 0 0.0 0 0.0 0 0.0 5 35
22 A 106 THR T - 0 0 -64.2 127.4 179.7 -110.5 42.7 118.8 0 0.0 0 0.0 0 0.0 0 0.0 11 41
23 A 107 PRO P - 0 0 -59.5 131.6 -179.2 -126.0 31.0 110.6 0 0.0 25 -0.6 0 0.0 0 0.0 7 34
24 A 108 LEU L - 0 0 -87.3 120.1 179.4 -153.7 13.0 137.9 0 0.0 26 -1.4 0 0.0 0 0.0 9 38
25 A 109 TYR Y + 0 0 -94.5 76.2 178.5 175.4 19.1 127.5 23 -0.6 27 -1.6 0 0.0 0 0.0 8 39
26 A 110 GLN Q + 0 0 -81.1 85.3 -176.5 108.8 39.8 128.1 24 -1.4 0 0.0 0 0.0 0 0.0 6 30
27 A 111 THR T - 0 0 -156.7 152.1 178.3 -151.0 58.2 166.8 25 -1.6 0 0.0 0 0.0 0 0.0 6 27
28 A 112 ALA A S S S+ 0 0 -98.5 -37.1 179.9 31.7 80.5 37.9 0 0.0 44 -2.4 0 0.0 0 0.0 7 29
29 A 113 THR T B B A - 43 0 -122.9 162.2 179.5 -153.9 60.0 144.2 0 0.0 0 0.0 0 0.0 0 0.0 7 24
30 A 114 PHE F - 0 0 -129.3 150.0 179.0 -105.4 31.6 159.9 42 -1.3 0 0.0 0 0.0 0 0.0 9 26
31 A 115 LYS K - 0 0 -77.1 138.0 178.2 -130.5 31.9 124.5 0 0.0 0 0.0 0 0.0 0 0.0 6 21
32 A 116 GLN Q - 0 0 -86.4 150.6 -179.2 -128.5 13.1 129.2 0 0.0 0 0.0 0 0.0 0 0.0 9 16
33 A 117 PRO P S S S- 0 0 -70.9 -24.8 179.5 -4.6 82.2 47.5 0 0.0 0 0.0 0 0.0 0 0.0 7 14
34 A 118 SER S S S S- 0 0 -157.0 179.1 -179.0 -91.7 80.9 156.5 37 -1.0 0 0.0 0 0.0 0 0.0 6 12
35 A 119 ALA A S S S+ 0 0 -73.0 -26.5 -177.8 37.2 120.8 39.1 0 0.0 0 0.0 0 0.0 0 0.0 5 10
36 A 120 ILE I S S S+ 0 0 -95.2 -44.6 -178.1 54.9 109.3 27.9 0 0.0 0 0.0 0 0.0 0 0.0 4 10
37 A 121 GLU E - 0 0 -102.8 153.0 179.3 -138.0 65.3 133.1 0 0.0 34 -1.0 0 0.0 0 0.0 7 12
38 A 122 ASN N - 0 0 -88.7 175.8 177.8 -121.2 19.3 104.9 0 0.0 0 0.0 0 0.0 0 0.0 9 17
39 A 123 GLY G - 0 0 -110.4 -178.5 179.8 -84.3 42.7 122.7 41 -0.5 0 0.0 0 0.0 0 0.0 9 21
40 A 124 PRO P S S S+ 0 0 -53.7 -32.9 179.9 26.2 120.2 28.7 0 0.0 0 0.0 0 0.0 0 0.0 4 27
41 A 125 TYR Y + 0 0 -130.4 160.0 179.0 154.0 53.8 154.2 0 0.0 39 -0.5 0 0.0 0 0.0 10 29
42 A 126 ASP D S S S+ 0 0 -152.5 -31.7 -176.6 21.6 71.2 66.2 0 0.0 30 -1.3 0 0.0 0 0.0 12 28
43 A 127 TYR Y B B > A > T - 29 0 -156.0 123.1 -175.3 -135.0 60.3 155.2 0 0.0 46 -2.8 0 0.0 47 -1.8 10 33
44 A 128 THR T T T 4 3 TS+ 0 0 -51.7 -22.4 176.6 59.7 107.5 45.8 28 -2.4 0 0.0 0 0.0 0 0.0 10 44
45 A 129 ARG R T T 4 3 TS+ 0 0 -72.9 -32.0 179.2 41.9 111.7 33.2 0 0.0 0 0.0 0 0.0 0 0.0 10 40
46 A 130 SER S T T 4 < TS- 0 0 -81.2 -35.3 -179.4 -40.1 135.4 30.6 43 -2.8 0 0.0 0 0.0 0 0.0 9 42
47 A 131 GLY G t < T - 0 0 174.5 156.5 -176.8 -162.4 49.1 152.5 43 -1.8 0 0.0 0 0.0 0 0.0 10 50
48 A 132 ASN N h > T - 0 0 -154.3 140.4 -179.6 -123.6 28.9 168.1 0 0.0 52 -2.2 0 0.0 0 0.0 12 50
49 A 133 PRO P H H > TS+ 0 0 -55.9 -42.6 179.6 50.3 112.0 30.0 0 0.0 53 -2.1 0 0.0 0 0.0 8 49
50 A 134 THR T H H > TS+ 0 0 -64.0 -45.9 -179.7 44.5 113.3 17.4 0 0.0 54 -1.2 0 0.0 0 0.0 13 54
51 A 135 ARG R H H > TS+ 0 0 -67.4 -31.0 178.4 55.6 111.0 35.8 0 0.0 55 -2.9 0 0.0 0 0.0 14 63
52 A 136 ASP D H H X TS+ 0 0 -67.6 -41.8 178.3 55.8 102.1 24.0 48 -2.2 56 -2.1 0 0.0 0 0.0 9 54
53 A 137 ALA A H H X TS+ 0 0 -58.6 -33.7 -178.8 40.2 114.8 31.4 49 -2.1 57 -1.4 0 0.0 0 0.0 11 56
54 A 138 LEU L H H X TS+ 0 0 -83.3 -43.4 178.8 53.5 111.2 26.2 50 -1.2 58 -2.6 0 0.0 0 0.0 13 64
55 A 139 GLU E H H X TS+ 0 0 -59.5 -31.7 178.2 50.7 111.3 32.8 51 -2.9 59 -1.1 0 0.0 0 0.0 12 69
56 A 140 SER S H H X TS+ 0 0 -72.8 -46.0 178.9 47.7 108.6 24.0 52 -2.1 60 -2.3 0 0.0 0 0.0 10 49
57 A 141 LEU L H H X TS+ 0 0 -58.1 -48.7 -178.9 51.8 112.5 11.9 53 -1.4 61 -3.0 0 0.0 0 0.0 9 59
58 A 142 LEU L H H X TS+ 0 0 -57.3 -31.8 177.9 52.0 106.7 40.2 54 -2.6 62 -1.6 0 0.0 0 0.0 10 68
59 A 143 ALA A H H X >TS+ 0 0 -72.8 -42.5 178.9 48.3 111.4 25.7 55 -1.1 64 -2.4 0 0.0 63 -0.7 14 52
60 A 144 LYS K H H < >5TS+ 0 0 -64.3 -47.1 179.1 51.0 110.0 18.3 56 -2.3 63 -1.1 0 0.0 0 0.0 8 47
61 A 145 LEU L H H < 35TS+ 0 0 -55.8 -40.4 -176.8 37.9 118.6 23.7 57 -3.0 0 0.0 0 0.0 0 0.0 10 58
62 A 146 ASP D H H < 35TS- 0 0 -93.9 2.3 -179.5 -123.3 104.7 64.2 58 -1.6 0 0.0 0 0.0 0 0.0 11 57
63 A 147 LYS K T h < <5T + 0 0 55.4 46.9 179.1 148.9 62.7 20.7 60 -1.1 0 0.0 59 -0.7 0 0.0 9 43
64 A 148 ALA A t TS- 0 0 -169.1 170.4 178.5 -89.2 74.7 168.8 0 0.0 76 -1.6 0 0.0 0 0.0 14 50
73 A 157 GLY G H H > > TS+ 0 0 -52.6 -56.0 178.5 48.0 124.2 17.8 0 0.0 77 -1.9 0 0.0 76 -0.7 16 62
74 A 158 MET M H H > 3 TS+ 0 0 -55.1 -35.8 -179.9 58.1 105.7 36.1 0 0.0 78 -2.7 0 0.0 0 0.0 10 52
75 A 159 ALA A H H > 3 TS+ 0 0 -62.8 -38.9 -179.5 47.9 107.9 26.0 0 0.0 79 -2.0 0 0.0 0 0.0 11 51
76 A 160 ALA A H H X < TS+ 0 0 -67.1 -43.0 -179.0 46.4 112.8 26.9 72 -1.6 80 -2.3 73 -0.7 0 0.0 15 60
77 A 161 LEU L H H X TS+ 0 0 -68.6 -34.0 179.4 54.6 111.4 28.6 73 -1.9 81 -1.9 0 0.0 0 0.0 10 67
78 A 162 SER S H H X TS+ 0 0 -68.6 -38.0 177.1 47.9 108.0 28.5 74 -2.7 82 -1.1 0 0.0 0 0.0 9 63
79 A 163 ALA A H H < > TS+ 0 0 -67.5 -50.1 -178.2 53.2 107.6 12.3 75 -2.0 82 -1.6 0 0.0 0 0.0 11 60
80 A 164 VAL V H H < > TS+ 0 0 -45.6 -45.1 179.7 54.6 109.5 22.7 76 -2.3 83 -1.4 0 0.0 0 0.0 9 71
81 A 165 THR T H H < > TS+ 0 0 -57.4 -34.4 178.9 61.6 96.5 40.4 77 -1.9 84 -1.2 0 0.0 0 0.0 8 67
82 A 166 HIS H T h < < TS+ 0 0 -80.7 14.6 179.3 73.8 89.7 76.4 79 -1.6 0 0.0 78 -1.1 0 0.0 8 51
83 A 167 LEU L T T < TS+ 0 0 -97.5 -22.2 -178.1 81.4 81.4 51.3 80 -1.4 85 -0.7 0 0.0 0 0.0 8 50
84 A 168 ILE I S t < TS- 0 0 -99.1 112.0 -176.9 -144.2 75.4 141.5 81 -1.2 0 0.0 0 0.0 0 0.0 11 45
85 A 169 LYS K t > T - 0 0 -64.3 175.8 -180.0 -54.2 36.0 79.2 83 -0.7 88 -1.6 0 0.0 0 0.0 9 30
86 A 170 ASN N T T 3 TS+ 0 0 -55.4 124.7 179.4 1.9 120.3 106.1 0 0.0 0 0.0 0 0.0 0 0.0 7 22
87 A 171 GLY G T T 3 TS+ 0 0 71.0 20.1 177.1 129.3 95.9 45.7 111 -0.5 0 0.0 0 0.0 0 0.0 8 26
88 A 172 GLU E e < T - 0 0 -94.9 -175.9 -175.9 -102.0 55.8 111.8 85 -1.6 114 -3.3 0 0.0 0 0.0 12 35
89 A 173 GLU E E E Abc - 114 134 -121.7 138.9 179.4 -168.7 23.6 153.5 133 -2.2 135 -2.7 0 0.0 136 -1.2 13 46
90 A 174 ILE I E E Abc - 115 136 -122.4 119.4 177.0 -166.4 3.7 166.7 114 -3.4 116 -2.8 0 0.0 92 -0.6 13 64
91 A 175 VAL V E E Abc + 116 137 -107.2 117.4 -177.3 166.5 21.1 160.0 136 -2.8 138 -2.3 0 0.0 0 0.0 14 61
92 A 176 ALA A E E Abc - 117 138 -136.2 130.0 -179.8 -100.5 37.5 175.3 116 -2.2 118 -1.1 90 -0.6 0 0.0 14 66
93 A 177 GLY G E E Ab - 118 0 -40.0 165.2 179.6 -127.8 22.4 76.8 138 -1.7 0 0.0 0 0.0 0 0.0 12 61
94 A 178 ASP D S e S+ 0 0 -85.6 -34.4 -178.5 60.3 106.5 36.9 118 -1.7 0 0.0 0 0.0 0 0.0 8 48
95 A 179 ASP D S S S+ 0 0 -59.1 -40.1 -178.4 136.3 75.1 36.2 0 0.0 0 0.0 0 0.0 0 0.0 8 50
96 A 180 VAL V - 0 0 -21.7 122.4 178.6 -84.8 64.7 75.0 0 0.0 0 0.0 0 0.0 0 0.0 12 56
97 A 181 TYR Y h > > T - 0 0 -32.6 142.5 179.8 -103.1 40.5 76.1 0 0.0 101 -2.7 0 0.0 100 -0.8 7 53
98 A 182 GLY G H H > 3 TS+ 0 0 -36.5 -67.5 179.9 43.4 118.3 31.7 0 0.0 102 -2.5 0 0.0 0 0.0 6 48
99 A 183 GLY G H H > 3 TS+ 0 0 -55.6 -31.2 179.3 50.5 116.0 35.1 0 0.0 103 -2.0 0 0.0 0 0.0 7 41
100 A 184 SER S H H > < TS+ 0 0 -72.5 -35.8 -180.0 53.2 108.6 29.1 97 -0.8 104 -2.3 0 0.0 0 0.0 10 52
101 A 185 ASP D H H X TS+ 0 0 -59.2 -60.6 179.2 45.3 110.5 9.7 97 -2.7 105 -2.3 0 0.0 0 0.0 9 42
102 A 186 ARG R H H X >TS+ 0 0 -48.8 -47.8 -179.8 50.3 113.4 26.7 98 -2.5 106 -2.9 0 0.0 107 -0.6 9 30
103 A 187 LEU L H H X >TS+ 0 0 -61.8 -35.9 -180.0 48.7 112.2 31.3 99 -2.0 108 -2.3 0 0.0 107 -0.9 10 41
104 A 188 LEU L H H < 5TS+ 0 0 -75.6 -31.8 -179.0 34.9 119.9 36.4 100 -2.3 0 0.0 0 0.0 0 0.0 10 48
105 A 189 SER S H H < 5TS+ 0 0 -97.0 -25.3 -177.7 25.1 129.6 38.8 101 -2.3 0 0.0 0 0.0 0 0.0 9 33
106 A 190 GLN Q H H < 5TS+ 0 0 -116.5 -14.8 -179.6 29.2 127.0 50.3 102 -2.9 0 0.0 0 0.0 0 0.0 8 25
107 A 191 VAL V T h < XTS+ 0 0 -59.3 -38.2 179.6 59.3 103.2 28.4 103 -2.3 111 -1.7 0 0.0 113 -1.0 13 41
109 A 193 PRO P G G >5TS+ 0 0 -57.8 -43.3 -180.0 71.5 88.3 22.3 0 0.0 112 -3.7 0 0.0 0 0.0 11 30
110 A 194 ARG R G G 35TS+ 0 0 -46.6 -17.0 -180.0 55.2 96.7 49.4 0 0.0 0 0.0 0 0.0 0 0.0 7 24
111 A 195 SER S G G <5TS- 0 0 -99.6 5.2 -177.0 -109.6 117.4 71.1 108 -1.7 87 -0.5 0 0.0 0 0.0 9 25
112 A 196 GLY G T g <5TS+ 0 0 76.1 4.9 178.6 142.1 74.5 55.3 109 -3.7 0 0.0 0 0.0 0 0.0 10 26
113 A 197 VAL V t T - 0 0 -93.9 80.8 -177.9 -160.5 32.5 135.1 0 0.0 122 -2.8 0 0.0 0 0.0 10 42
120 A 204 THR T T T 3 TS+ 0 0 -45.2 -4.8 177.7 73.5 79.8 64.8 118 -1.3 0 0.0 0 0.0 0 0.0 12 53
121 A 205 THR T T T 3 TS+ 0 0 -83.1 -18.3 -177.9 69.3 86.9 48.1 0 0.0 123 -0.9 0 0.0 0 0.0 8 45
122 A 206 LYS K S h > X TS- 0 0 -105.7 85.6 -179.6 -161.9 70.4 138.0 119 -2.8 126 -1.5 0 0.0 125 -0.9 8 35
123 A 207 LEU L H H > 3 TS+ 0 0 -33.8 -38.3 179.9 61.5 87.5 45.2 121 -0.9 127 -3.4 0 0.0 0 0.0 8 35
124 A 208 ASP D H H > 3 TS+ 0 0 -56.9 -61.7 178.7 45.8 104.8 9.6 0 0.0 128 -4.2 0 0.0 0 0.0 6 24
125 A 209 GLU E H H > < TS+ 0 0 -45.0 -52.1 179.3 49.9 113.8 24.5 122 -0.9 129 -3.7 0 0.0 0 0.0 10 31
126 A 210 VAL V H H X TS+ 0 0 -53.2 -50.5 178.6 44.4 115.2 18.4 122 -1.5 130 -1.6 0 0.0 0 0.0 12 48
127 A 211 ALA A H H < > TS+ 0 0 -55.7 -60.6 179.2 47.9 114.9 10.4 123 -3.4 130 -1.0 0 0.0 0 0.0 8 41
128 A 212 ALA A H H < 3 TS+ 0 0 -48.8 -41.5 -177.9 48.8 113.3 32.9 124 -4.2 0 0.0 0 0.0 0 0.0 7 31
129 A 213 ALA A H H < 3 TS+ 0 0 -77.2 -22.5 -178.0 86.5 91.4 42.8 125 -3.7 131 -1.0 0 0.0 0 0.0 9 40
130 A 214 ILE I h < < T + 0 0 -89.1 100.4 -179.4 156.1 56.2 131.9 126 -1.6 0 0.0 127 -1.0 0 0.0 12 43
131 A 215 GLY G - 0 0 -99.0 -149.0 -179.9 -74.5 58.5 81.8 129 -1.0 0 0.0 0 0.0 0 0.0 7 37
132 A 216 PRO P S S S+ 0 0 -84.6 -23.1 -179.1 53.5 126.5 46.2 0 0.0 0 0.0 0 0.0 0 0.0 5 28
133 A 217 GLN Q S e S+ 0 0 -89.8 -10.6 179.6 116.7 77.9 56.1 0 0.0 89 -2.2 0 0.0 0 0.0 7 34
134 A 218 THR T E E Ac + 89 0 -64.6 117.8 179.7 159.4 24.6 116.5 0 0.0 0 0.0 0 0.0 0 0.0 15 46
135 A 219 LYS K E E A* + 0 0 -114.2 -14.0 179.0 40.7 64.5 58.4 89 -2.7 165 -3.2 0 0.0 0 0.0 11 47
136 A 220 LEU L E E Acd - 90 165 -143.6 128.1 175.2 -170.0 53.4 169.1 89 -1.2 91 -2.8 0 0.0 0 0.0 14 64
137 A 221 VAL V E E Acd - 91 166 -111.7 126.2 -175.7 -163.4 16.5 167.1 165 -3.0 167 -3.3 0 0.0 139 -0.6 13 73
138 A 222 TRP W E E Acd + 92 167 -122.6 101.7 -179.2 174.0 14.0 152.5 91 -2.3 93 -1.7 0 0.0 0 0.0 12 82
139 A 223 LEU L E E A d - 0 168 -96.8 176.4 178.8 -172.8 17.2 112.9 167 -2.4 169 -1.5 137 -0.6 0 0.0 14 76
140 A 224 GLU E - 0 0 -173.9 111.2 -179.8 -151.9 17.0 136.2 0 0.0 0 0.0 0 0.0 0 0.0 12 71
141 A 225 SER S S S S+ 0 0 -148.6 127.3 0.5 32.8 79.4 162.1 0 0.0 0 0.0 0 0.0 0 0.0 9 72
142 A 226 PRO P S S S- 0 0 -64.3 158.5 179.7 -138.5 95.0 61.9 0 0.0 0 0.0 0 0.0 0 0.0 12 61
143 A 227 THR T t > T - 0 0 -85.5 162.0 178.4 -77.1 32.7 118.2 148 -0.7 147 -1.9 0 0.0 0 0.0 11 59
144 A 228 ASN N T T 4 TS- 0 0 -110.0 132.6 -0.3 -13.0 101.0 156.9 0 0.0 0 0.0 0 0.0 0 0.0 9 62
145 A 229 PRO P T T 4 TS+ 0 0 -103.9 2.3 -177.6 52.4 133.4 169.6 0 0.0 0 0.0 0 0.0 0 0.0 10 61
146 A 230 ARG R T T 4 TS- 0 0 -67.7 -22.6 177.3 -133.2 89.8 44.2 0 0.0 0 0.0 0 0.0 0 0.0 11 57
147 A 231 GLN Q t < T + 0 0 70.5 44.2 178.1 179.8 35.0 23.7 143 -1.9 0 0.0 0 0.0 0 0.0 12 64
148 A 232 GLN Q - 0 0 -78.1 136.7 -176.1 -135.9 20.2 127.6 0 0.0 143 -0.7 0 0.0 0 0.0 11 56
149 A 233 ILE I - 0 0 -101.1 131.6 176.9 -168.3 17.7 141.9 0 0.0 0 0.0 0 0.0 0 0.0 13 58
150 A 234 SER S - 0 0 -112.5 152.7 179.4 -111.2 31.2 147.4 0 0.0 152 -1.0 0 0.0 0 0.0 13 61
151 A 235 ASP D h > T - 0 0 -88.7 104.5 -178.1 -178.0 33.4 138.1 0 0.0 155 -1.4 0 0.0 0 0.0 9 54
152 A 236 ILE I H H > TS+ 0 0 -73.9 -27.4 179.3 56.6 76.7 40.0 150 -1.0 156 -1.4 0 0.0 0 0.0 12 57
153 A 237 ARG R H H > TS+ 0 0 -69.1 -42.6 -178.8 42.0 112.5 20.6 0 0.0 157 -1.3 0 0.0 0 0.0 8 44
154 A 238 LYS K H H > TS+ 0 0 -74.3 -31.8 176.9 52.1 112.3 40.2 0 0.0 158 -1.4 0 0.0 0 0.0 7 44
155 A 239 ILE I H H X TS+ 0 0 -72.7 -35.2 180.0 54.7 107.5 30.3 151 -1.4 159 -2.1 0 0.0 0 0.0 10 56
156 A 240 SER S H H X TS+ 0 0 -64.7 -38.8 -179.9 50.3 106.6 28.0 152 -1.4 160 -2.2 0 0.0 0 0.0 12 52
157 A 241 GLU E H H X TS+ 0 0 -66.7 -42.5 179.0 49.8 110.1 25.1 153 -1.3 161 -2.2 0 0.0 0 0.0 9 38
158 A 242 MET M H H < TS+ 0 0 -59.1 -58.1 179.0 42.7 115.0 14.3 154 -1.4 0 0.0 0 0.0 0 0.0 10 44
159 A 243 ALA A H H < >>TS+ 0 0 -56.3 -45.6 -179.4 51.2 114.1 26.3 155 -2.1 164 -2.6 0 0.0 162 -1.8 15 47
160 A 244 HIS H H H < >5TS+ 0 0 -63.2 -35.2 179.5 57.8 103.3 28.0 156 -2.2 163 -1.8 0 0.0 0 0.0 10 37
161 A 245 ALA A T h < 35TS+ 0 0 -71.5 -1.5 178.4 44.1 112.1 59.1 157 -2.2 0 0.0 0 0.0 0 0.0 7 28
162 A 246 GLN Q T T <5TS- 0 0 -119.8 4.6 179.8 -112.1 119.9 74.7 159 -1.8 0 0.0 0 0.0 0 0.0 10 31
163 A 247 GLY G T T <5T + 0 0 69.2 28.8 179.4 144.1 68.2 38.6 160 -1.8 0 0.0 0 0.0 0 0.0 8 32
164 A 248 ALA A t > T + 0 0 -94.1 18.1 179.9 125.6 34.6 81.7 189 -2.3 174 -2.8 168 -1.2 173 -1.6 13 79
171 A 255 SER S T T 4 3 TS+ 0 0 -43.4 -47.9 -177.0 48.3 73.3 32.3 189 -0.5 0 0.0 0 0.0 0 0.0 11 72
172 A 256 ILE I T T 4 3 TS+ 0 0 -75.0 -15.1 178.3 36.9 120.3 49.1 0 0.0 0 0.0 0 0.0 0 0.0 11 74
173 A 257 MET M T T 4 < TS- 0 0 -100.9 -41.6 -178.3 -168.0 87.4 37.6 170 -1.6 0 0.0 0 0.0 0 0.0 10 70
174 A 258 SER S t X > T - 0 0 65.0 164.3 -179.3 -60.7 48.3 76.0 170 -2.8 177 -1.6 0 0.0 178 -0.9 12 72
175 A 259 PRO P T T 4 3 TS+ 0 0 -54.9 -18.0 -179.3 63.6 126.7 52.8 0 0.0 0 0.0 0 0.0 0 0.0 8 72
176 A 260 VAL V T T 4 3 TS+ 0 0 -95.7 14.5 -179.0 31.0 111.3 71.4 0 0.0 0 0.0 0 0.0 0 0.0 10 57
177 A 261 LEU L T T 4 < TS+ 0 0 -139.5 -11.5 -177.9 16.0 127.2 64.0 174 -1.6 290 -2.8 0 0.0 291 -0.7 11 52
178 A 262 SER S t < T - 0 0 -164.7 143.5 177.4 -168.8 45.7 162.6 174 -0.9 0 0.0 0 0.0 0 0.0 12 59
179 A 263 ARG R g > T - 0 0 -140.0 76.7 -179.5 -173.7 12.7 128.6 0 0.0 182 -2.4 0 0.0 0 0.0 12 57
180 A 264 PRO P G G >>TS+ 0 0 -46.7 -26.4 177.9 74.7 74.8 50.3 0 0.0 183 -2.1 0 0.0 185 -1.8 12 62
181 A 265 LEU L G G 35TS+ 0 0 -67.3 -9.8 177.4 55.8 93.9 46.9 0 0.0 0 0.0 0 0.0 0 0.0 13 58
182 A 266 GLU E G G <5TS+ 0 0 -101.3 17.6 -178.0 55.2 104.4 79.1 179 -2.4 0 0.0 0 0.0 0 0.0 7 41
183 A 267 LEU L T g <5TS- 0 0 -131.9 14.5 179.7 -81.4 130.7 85.4 180 -2.1 0 0.0 0 0.0 0 0.0 10 47
184 A 268 GLY G T T 5TS+ 0 0 103.8 -13.9 -178.0 136.5 84.1 76.7 0 0.0 0 0.0 0 0.0 0 0.0 11 47
185 A 269 ALA A t T - 0 205 -92.9 98.8 -176.4 -166.2 25.5 149.1 0 0.0 194 -2.4 0 0.0 0 0.0 13 65
192 A 276 ALA A T e 3>TS+ 0 0 -67.8 -3.3 176.2 81.6 79.1 57.0 190 -1.2 197 -2.3 204 -1.2 0 0.0 15 68
193 A 277 THR T T T 35TS+ 0 0 -67.1 -23.5 -175.8 47.7 95.8 46.6 204 -1.1 0 0.0 0 0.0 0 0.0 15 58
194 A 278 LYS K T T > <5TS- 0 0 -89.2 -103.5 -178.0 -10.5 127.0 37.0 191 -2.4 198 -1.5 0 0.0 0 0.0 15 65
195 A 279 PHE F T T 4 5TS+ 0 0 -73.9 -33.9 -177.6 60.0 125.5 33.5 0 0.0 0 0.0 0 0.0 0 0.0 15 66
196 A 280 ILE I T T 4 5TS+ 0 0 -60.4 -62.2 177.6 26.3 119.1 11.0 0 0.0 0 0.0 0 0.0 0 0.0 12 76
197 A 281 ALA A T T 4 TS- 0 0 110.1 118.6 179.3 -121.3 71.4 69.0 0 0.0 215 -2.9 0 0.0 0 0.0 8 34
212 A 296 GLU E H H > TS+ 0 0 -55.1 -44.8 -179.2 49.4 112.7 25.5 0 0.0 216 -2.7 0 0.0 0 0.0 8 24
213 A 297 LYS K H H > TS+ 0 0 -59.7 -51.8 -179.7 45.6 113.9 15.5 0 0.0 217 -1.5 0 0.0 0 0.0 6 22
214 A 298 LEU L H H > > TS+ 0 0 -54.3 -54.8 178.3 50.8 112.3 20.2 0 0.0 218 -2.0 0 0.0 217 -0.6 9 39
215 A 299 ALA A H H X > TS+ 0 0 -48.0 -56.6 -179.2 53.5 107.8 18.9 211 -2.9 219 -3.7 0 0.0 218 -1.1 13 46
216 A 300 LYS K H H X 3 TS+ 0 0 -49.7 -34.0 -179.2 49.3 109.9 36.1 212 -2.7 220 -1.9 0 0.0 0 0.0 8 30
217 A 301 GLU E H H X < TS+ 0 0 -78.8 -29.2 178.5 46.7 111.7 34.7 213 -1.5 221 -1.0 214 -0.6 0 0.0 9 36
218 A 302 VAL V H H X < TS+ 0 0 -76.7 -43.7 179.3 50.0 112.7 24.3 214 -2.0 222 -2.8 215 -1.1 0 0.0 12 53
219 A 303 TYR Y H H X TS+ 0 0 -59.2 -43.8 -179.1 57.9 105.0 19.6 215 -3.7 223 -2.6 0 0.0 0 0.0 9 52
220 A 304 PHE F H H X TS+ 0 0 -54.3 -36.0 -179.3 41.0 112.6 29.3 216 -1.9 224 -1.9 0 0.0 0 0.0 8 34
221 A 305 LEU L H H X TS+ 0 0 -83.2 -36.2 179.8 53.9 110.7 29.7 217 -1.0 225 -2.1 0 0.0 0 0.0 11 39
222 A 306 GLN Q H H < >TS+ 0 0 -63.4 -33.3 -179.4 42.6 116.9 26.9 218 -2.8 227 -2.2 0 0.0 228 -0.6 13 50
223 A 307 ASN N H H < >5TS+ 0 0 -78.5 -43.3 -177.8 41.9 116.9 25.9 219 -2.6 226 -0.6 0 0.0 0 0.0 11 40
224 A 308 SER S H H < 35TS+ 0 0 -76.5 -32.1 179.8 45.1 117.4 33.5 220 -1.9 0 0.0 0 0.0 0 0.0 7 30
225 A 309 GLU E T h < 35TS- 0 0 -93.0 11.2 179.1 -131.8 107.4 75.6 221 -2.1 0 0.0 0 0.0 0 0.0 6 33
226 A 310 GLY G T T <5T + 0 0 35.5 71.0 -178.3 133.9 61.3 26.6 223 -0.6 0 0.0 0 0.0 0 0.0 9 35
227 A 311 SER S t T - 0 0 -71.0 155.8 -179.1 -110.3 26.4 110.1 0 0.0 234 -2.5 0 0.0 0 0.0 8 52
231 A 315 PRO P H H > TS+ 0 0 -53.8 -40.9 179.9 49.9 115.7 32.7 0 0.0 235 -2.5 0 0.0 0 0.0 12 47
232 A 316 PHE F H H > TS+ 0 0 -63.7 -46.4 176.3 47.6 114.2 16.4 0 0.0 236 -2.3 0 0.0 0 0.0 8 41
233 A 317 ASP D H H > TS+ 0 0 -58.0 -41.4 178.5 51.3 110.0 29.6 0 0.0 237 -1.9 0 0.0 0 0.0 11 52
234 A 318 CYS C H H X TS+ 0 0 -63.8 -40.2 -179.0 51.6 109.8 25.1 230 -2.5 238 -2.8 0 0.0 0 0.0 13 58
235 A 319 TRP W H H X TS+ 0 0 -64.3 -40.6 178.8 49.0 109.0 25.6 231 -2.5 239 -2.0 0 0.0 0 0.0 13 55
236 A 320 LEU L H H X TS+ 0 0 -67.9 -32.3 178.2 50.4 111.6 34.5 232 -2.3 240 -2.5 0 0.0 0 0.0 10 52
237 A 321 CYS C H H X TS+ 0 0 -70.0 -42.1 179.3 50.4 109.3 21.0 233 -1.9 241 -3.1 0 0.0 0 0.0 13 64
238 A 322 LEU L H H X TS+ 0 0 -59.0 -38.0 -176.7 47.7 113.6 25.8 234 -2.8 242 -0.7 0 0.0 0 0.0 10 63
239 A 323 ARG R H H < > TS+ 0 0 -72.4 -44.9 -178.8 38.9 117.1 19.6 235 -2.0 242 -0.5 0 0.0 0 0.0 8 50
240 A 324 GLY G H H < > TS+ 0 0 -77.8 -26.7 -178.8 67.2 104.3 36.6 236 -2.5 243 -1.1 0 0.0 0 0.0 12 48
241 A 325 ILE I H H < > TS+ 0 0 -65.2 -20.7 -178.4 74.4 85.8 41.6 237 -3.1 244 -1.4 0 0.0 0 0.0 12 64
242 A 326 LYS K T h < < TS+ 0 0 -62.6 -32.3 177.3 41.8 99.4 36.4 238 -0.7 0 0.0 239 -0.5 0 0.0 9 47
243 A 327 THR T T h > < TS+ 0 0 -94.0 8.4 -179.0 107.9 86.0 70.7 240 -1.1 247 -3.9 0 0.0 0 0.0 9 44
244 A 328 MET M H H > < TS+ 0 0 -51.3 -52.6 -179.5 42.5 80.0 27.5 241 -1.4 248 -2.7 0 0.0 0 0.0 14 57
245 A 329 ALA A H H > TS+ 0 0 -62.6 -46.9 177.7 47.3 118.6 17.2 0 0.0 249 -2.6 0 0.0 0 0.0 11 52
246 A 330 LEU L H H > TS+ 0 0 -57.1 -49.9 -178.7 48.8 112.7 19.2 0 0.0 250 -2.0 0 0.0 0 0.0 8 41
247 A 331 ARG R H H X TS+ 0 0 -59.7 -48.3 178.2 45.4 113.8 20.7 243 -3.9 251 -2.6 0 0.0 0 0.0 12 53
248 A 332 ILE I H H X TS+ 0 0 -62.0 -44.6 180.0 58.9 107.7 19.9 244 -2.7 252 -3.7 0 0.0 0 0.0 11 54
249 A 333 GLU E H H X TS+ 0 0 -52.2 -58.8 176.7 33.9 115.0 16.8 245 -2.6 253 -1.6 0 0.0 0 0.0 8 48
250 A 334 LYS K H H X TS+ 0 0 -65.1 -33.7 -176.7 52.4 121.1 25.2 246 -2.0 254 -1.4 0 0.0 0 0.0 10 39
251 A 335 GLN Q H H X TS+ 0 0 -66.8 -52.0 177.7 46.8 108.5 16.9 247 -2.6 255 -2.5 0 0.0 0 0.0 14 54
252 A 336 GLN Q H H X TS+ 0 0 -51.2 -52.5 179.9 51.4 112.1 22.3 248 -3.7 256 -2.9 0 0.0 0 0.0 13 56
253 A 337 GLU E H H X TS+ 0 0 -56.5 -34.2 -178.1 52.9 108.9 31.5 249 -1.6 257 -2.2 0 0.0 0 0.0 9 42
254 A 338 ASN N H H X TS+ 0 0 -68.6 -47.0 178.8 47.6 108.8 20.7 250 -1.4 258 -2.5 0 0.0 0 0.0 13 53
255 A 339 ALA A H H X TS+ 0 0 -60.2 -47.2 177.9 55.5 108.9 20.1 251 -2.5 259 -2.3 0 0.0 0 0.0 14 58
256 A 340 ARG R H H X > TS+ 0 0 -46.8 -61.4 -177.1 42.5 112.3 14.1 252 -2.9 260 -2.5 0 0.0 259 -0.9 11 49
257 A 341 LYS K H H X 3 TS+ 0 0 -56.5 -40.8 -179.9 50.9 113.1 31.1 253 -2.2 261 -2.2 0 0.0 0 0.0 9 49
258 A 342 ILE I H H X 3 TS+ 0 0 -70.3 -25.4 178.5 48.9 110.9 39.2 254 -2.5 262 -1.8 0 0.0 0 0.0 10 56
259 A 343 ALA A H H X < TS+ 0 0 -78.9 -36.2 178.3 57.1 107.6 31.7 255 -2.3 263 -2.9 256 -0.9 0 0.0 12 55
260 A 344 MET M H H X TS+ 0 0 -53.1 -57.7 -178.7 43.7 109.9 13.2 256 -2.5 264 -1.4 0 0.0 0 0.0 9 42
261 A 345 TYR Y H H < TS+ 0 0 -55.2 -47.4 179.9 43.7 117.7 28.0 257 -2.2 0 0.0 0 0.0 0 0.0 9 41
262 A 346 LEU L H H < > TS+ 0 0 -70.2 -35.7 -177.9 63.9 104.5 32.2 258 -1.8 265 -1.9 0 0.0 0 0.0 10 53
263 A 347 SER S H H < 3 TS+ 0 0 -56.8 -42.9 -179.4 37.4 110.8 25.5 259 -2.9 0 0.0 0 0.0 0 0.0 9 37
264 A 348 SER S T h < 3 TS+ 0 0 -98.4 28.0 -179.2 118.1 92.6 91.2 260 -1.4 0 0.0 0 0.0 0 0.0 7 28
265 A 349 HIS H t X T - 0 0 -103.7 132.1 -179.3 -134.6 64.6 150.1 262 -1.9 268 -1.8 0 0.0 0 0.0 7 31
266 A 350 PRO P T T 3 TS+ 0 0 -51.0 -29.3 -179.7 47.4 102.7 52.5 0 0.0 0 0.0 0 0.0 0 0.0 5 26
267 A 351 ARG R T T 3 TS+ 0 0 -101.6 6.4 180.0 90.3 93.3 69.1 0 0.0 269 -0.6 0 0.0 0 0.0 6 38
268 A 352 VAL V t < T - 0 0 -109.3 113.5 -178.3 -174.1 51.0 152.5 265 -1.8 0 0.0 0 0.0 0 0.0 13 43
269 A 353 LYS K - 0 0 -70.3 -48.0 179.5 -1.1 68.8 26.2 299 -1.1 0 0.0 267 -0.6 0 0.0 9 35
270 A 354 LYS K E E BG - 299 0 -144.3 145.1 177.9 -152.6 60.4 173.0 299 -1.1 299 -2.2 0 0.0 0 0.0 8 44
271 A 355 VAL V E E BG - 298 0 -123.9 124.4 -179.1 -151.9 8.5 167.2 0 0.0 273 -0.8 0 0.0 0 0.0 12 52
272 A 356 TYR Y E E BG + 297 0 -101.2 112.2 179.5 127.3 40.4 143.9 297 -3.7 297 -1.9 0 0.0 0 0.0 11 57
273 A 357 TYR Y t > T - 0 0 -161.5 125.9 -178.9 -143.6 50.9 154.1 271 -0.8 276 -1.2 0 0.0 0 0.0 13 59
274 A 358 ALA A T T 3 TS+ 0 0 -70.3 -5.8 -180.0 66.7 97.3 57.3 0 0.0 0 0.0 0 0.0 0 0.0 13 57
275 A 359 GLY G T T 3 TS+ 0 0 -88.3 -17.8 178.5 97.5 77.2 48.0 0 0.0 0 0.0 0 0.0 0 0.0 9 54
276 A 360 LEU L S t X TS- 0 0 -73.7 122.7 179.8 -136.3 76.9 128.5 273 -1.2 279 -3.2 0 0.0 0 0.0 10 42
277 A 361 PRO P T T 3 TS+ 0 0 -44.5 -40.3 -178.7 57.8 104.6 34.1 0 0.0 0 0.0 0 0.0 0 0.0 6 29
278 A 362 ASP D T T 3 TS+ 0 0 -73.3 -2.8 -177.8 112.0 81.7 63.8 0 0.0 0 0.0 0 0.0 0 0.0 5 30
279 A 363 HIS H S t X TS- 0 0 -81.9 121.9 -179.9 -118.7 75.1 128.2 276 -3.2 282 -2.5 0 0.0 0 0.0 10 39
280 A 364 PRO P T T 3 TS+ 0 0 -58.9 117.1 179.3 27.9 103.9 112.3 0 0.0 0 0.0 0 0.0 0 0.0 7 31
281 A 365 GLY G T h > > TS+ 0 0 119.0 -19.8 -179.4 123.7 80.3 83.4 0 0.0 285 -3.0 0 0.0 284 -0.6 9 37
282 A 366 HIS H H H > < TS+ 0 0 -34.9 -60.8 -179.6 39.6 81.1 32.7 279 -2.5 286 -2.7 0 0.0 0 0.0 13 34
283 A 367 HIS H H H 4 3 TS+ 0 0 -66.2 -33.6 177.9 51.7 116.7 35.0 0 0.0 0 0.0 0 0.0 0 0.0 6 28
284 A 368 LEU L H H 4 X TS+ 0 0 -65.7 -59.4 178.0 43.8 113.2 8.6 281 -0.6 287 -1.7 0 0.0 0 0.0 10 40
285 A 369 HIS H H H X > TS+ 0 0 -48.5 -56.7 -179.4 49.9 112.8 24.3 281 -3.0 288 -2.6 0 0.0 289 -0.8 14 47
286 A 370 PHE F T h < 3 TS+ 0 0 -66.1 -1.3 178.4 65.3 102.0 57.4 282 -2.7 0 0.0 0 0.0 0 0.0 10 37
287 A 371 SER S T T 4 < TS+ 0 0 -92.8 -8.6 -179.6 22.3 119.4 52.5 284 -1.7 0 0.0 0 0.0 0 0.0 7 32
288 A 372 GLN Q T T 4 < TS+ 0 0 -138.5 12.4 178.7 48.0 124.5 76.5 285 -2.6 0 0.0 0 0.0 0 0.0 9 43
289 A 373 ALA A t < T - 0 0 -153.1 142.3 -179.8 -136.2 67.1 167.9 285 -0.8 0 0.0 0 0.0 0 0.0 10 49
290 A 374 LYS K S S S+ 0 0 -81.5 2.9 179.8 3.8 84.7 65.0 177 -2.8 0 0.0 0 0.0 0 0.0 9 39
291 A 375 GLY G - 0 0 -175.5 167.4 -178.6 -110.3 65.0 172.0 177 -0.7 0 0.0 0 0.0 0 0.0 9 49
292 A 376 ALA A - 0 0 -94.2 13.5 178.7 -142.8 51.7 77.1 0 0.0 0 0.0 0 0.0 0 0.0 13 68
293 A 377 GLY G - 0 0 60.3 -165.3 -173.2 -73.8 28.4 89.0 0 0.0 0 0.0 0 0.0 0 0.0 11 70
294 A 378 SER S S e S+ 0 0 -125.2 16.7 178.8 89.0 92.5 77.0 0 0.0 359 -2.2 0 0.0 0 0.0 15 72
295 A 379 VAL V E E B H + 0 358 -115.3 140.7 179.3 143.6 44.1 157.8 0 0.0 0 0.0 0 0.0 0 0.0 13 68
296 A 380 PHE F E E B H - 0 357 -162.5 169.8 179.7 -150.5 25.6 166.0 357 -1.8 357 -2.7 0 0.0 0 0.0 15 66
297 A 381 SER S E E BGH - 272 356 -145.5 170.2 179.0 -159.2 2.7 159.0 272 -1.9 272 -3.7 0 0.0 0 0.0 13 71
298 A 382 PHE F E E BGH - 271 355 -149.0 157.9 178.0 -136.3 12.5 167.9 355 -2.1 355 -2.9 0 0.0 0 0.0 13 63
299 A 383 ILE I E E BG - 270 0 -114.0 151.0 -179.8 -180.0 13.8 149.9 270 -2.2 270 -1.1 0 0.0 269 -1.1 14 49
300 A 384 THR T - 0 0 -128.7 -2.0 -179.8 -122.8 42.9 69.3 0 0.0 0 0.0 0 0.0 0 0.0 13 45
301 A 385 GLY G S S S+ 0 0 69.7 2.3 179.8 96.4 88.2 60.1 0 0.0 0 0.0 0 0.0 0 0.0 7 33
302 A 386 SER S h > > T - 0 0 -130.2 93.6 177.2 -174.3 51.1 141.2 0 0.0 306 -2.5 0 0.0 305 -0.8 8 33
303 A 387 VAL V H H > 3 TS+ 0 0 -48.0 -34.6 179.9 54.5 93.8 32.9 0 0.0 307 -2.0 0 0.0 0 0.0 10 39
304 A 388 ALA A H H > 3 TS+ 0 0 -70.3 -37.2 180.0 44.0 109.6 29.2 0 0.0 308 -1.5 0 0.0 0 0.0 7 32
305 A 389 LEU L H H > < TS+ 0 0 -75.8 -31.9 178.8 54.3 111.8 35.4 302 -0.8 309 -2.1 0 0.0 0 0.0 10 41
306 A 390 SER S H H X TS+ 0 0 -66.7 -50.0 178.1 47.5 108.2 19.4 302 -2.5 310 -2.8 0 0.0 0 0.0 14 52
307 A 391 LYS K H H X TS+ 0 0 -55.1 -44.3 -177.1 52.8 113.0 20.0 303 -2.0 311 -2.8 0 0.0 0 0.0 10 47
308 A 392 HIS H H H X TS+ 0 0 -60.6 -41.6 179.5 46.5 108.0 30.0 304 -1.5 312 -2.1 0 0.0 0 0.0 10 44
309 A 393 LEU L H H X TS+ 0 0 -64.5 -46.3 -179.3 51.1 115.0 15.5 305 -2.1 313 -2.1 0 0.0 0 0.0 11 55
310 A 394 VAL V H H < TS+ 0 0 -57.8 -43.0 -178.2 34.9 117.3 32.7 306 -2.8 0 0.0 0 0.0 0 0.0 13 52
311 A 395 GLU E H H < TS+ 0 0 -88.6 -23.3 -178.3 48.0 119.4 39.4 307 -2.8 0 0.0 0 0.0 0 0.0 7 37
312 A 396 THR T H H < TS+ 0 0 -89.5 -27.9 -179.0 106.8 78.0 42.3 308 -2.1 0 0.0 0 0.0 0 0.0 7 35
313 A 397 THR T h < T - 0 0 -55.0 129.3 -179.5 -159.3 54.4 109.3 309 -2.1 0 0.0 0 0.0 0 0.0 10 42
314 A 398 LYS K S S S+ 0 0 -83.9 -23.2 -176.7 45.2 84.4 41.8 0 0.0 0 0.0 0 0.0 0 0.0 6 36
315 A 399 TYR Y S S S+ 0 0 -101.7 -3.2 178.9 73.4 98.4 65.0 0 0.0 0 0.0 0 0.0 0 0.0 8 38
316 A 400 PHE F S S S- 0 0 -111.7 139.5 178.3 -139.0 71.1 157.1 0 0.0 0 0.0 0 0.0 0 0.0 11 54
317 A 401 SER S E E Bi - 328 0 -96.1 146.5 178.4 -120.8 19.5 138.2 327 -2.4 329 -2.5 0 0.0 319 -1.0 9 39
318 A 402 ILE I E E Bi + 329 0 -84.5 105.2 -178.2 126.9 64.7 139.5 0 0.0 0 0.0 0 0.0 0 0.0 9 40
319 A 403 ALA A e - 0 0 -159.8 162.8 178.5 -100.3 58.8 174.3 329 -1.1 0 0.0 317 -1.0 0 0.0 7 42
320 A 404 VAL V S S S+ 0 0 -81.7 162.7 -178.8 17.7 77.6 113.5 0 0.0 0 0.0 0 0.0 0 0.0 7 49
321 A 405 SER S - 0 0 68.9 -171.5 -172.3 -128.8 64.9 91.1 0 0.0 0 0.0 0 0.0 0 0.0 6 61
322 A 406 PHE F + 0 0 -157.7 -175.6 176.5 82.0 64.6 147.0 0 0.0 0 0.0 0 0.0 0 0.0 9 64
323 A 407 GLY G + 0 0 79.7 8.8 179.9 125.1 65.7 58.8 0 0.0 0 0.0 0 0.0 0 0.0 14 68
324 A 408 SER S S S S- 0 0 -98.0 160.4 178.7 -112.8 74.7 126.6 0 0.0 0 0.0 0 0.0 0 0.0 12 59
325 A 409 VAL V S S S+ 0 0 -63.0 -17.1 -178.5 79.5 99.4 44.5 198 -1.5 361 -1.8 0 0.0 0 0.0 12 53
326 A 410 LYS K S S S- 0 0 -96.5 140.3 -180.0 -118.7 88.0 138.1 0 0.0 0 0.0 0 0.0 0 0.0 11 47
327 A 411 SER S e - 0 0 -78.2 134.2 -179.7 -167.1 33.8 127.3 0 0.0 317 -2.4 0 0.0 0 0.0 14 61
328 A 412 LEU L E E BiJ - 317 358 -120.0 158.2 179.5 -170.8 10.5 146.3 358 -2.0 358 -2.6 0 0.0 0 0.0 14 57
329 A 413 ILE I E E BiJ + 318 357 -146.1 146.3 -180.0 145.2 18.3 168.5 317 -2.5 319 -1.1 0 0.0 0 0.0 13 57
330 A 414 SER S E E B J - 0 356 -167.4 178.3 177.8 -110.4 46.0 165.9 356 -1.8 356 -2.7 0 0.0 0 0.0 12 52
331 A 415 MET M t > >T - 0 0 -128.7 100.5 179.8 -164.1 19.5 157.0 0 0.0 335 -1.2 0 0.0 336 -0.8 15 58
332 A 416 PRO P T T 4 5TS+ 0 0 -52.3 -35.2 179.6 46.9 87.6 39.0 0 0.0 0 0.0 0 0.0 0 0.0 14 55
333 A 417 CYS C T T 4 5TS+ 0 0 -76.4 -66.4 179.9 30.3 120.7 9.8 0 0.0 0 0.0 0 0.0 0 0.0 14 49
334 A 418 PHE F T T 4 5TS+ 0 0 -74.3 3.1 -179.8 21.6 139.7 60.6 352 -0.5 0 0.0 0 0.0 0 0.0 12 45
335 A 419 MET M T T < >5TS+ 0 0 -128.8 -68.1 -179.8 51.2 115.5 50.6 331 -1.2 338 -3.1 0 0.0 0 0.0 9 40
336 A 420 SER S T T 3 T - 0 0 -76.1 142.3 -176.0 -112.2 35.1 127.3 0 0.0 354 -2.5 0 0.0 0 0.0 9 44
352 A 436 GLU E T T 3 TS+ 0 0 -58.2 -0.5 179.7 59.1 113.6 58.7 0 0.0 334 -0.5 0 0.0 0 0.0 11 44
353 A 437 ASP D T T 3 TS+ 0 0 -109.7 7.1 179.2 128.7 71.9 69.0 0 0.0 0 0.0 0 0.0 0 0.0 15 48
354 A 438 LEU L t < T - 0 0 -63.7 126.6 178.6 -157.5 43.8 115.7 351 -2.5 0 0.0 0 0.0 0 0.0 15 52
355 A 439 VAL V E E BH - 298 0 -111.0 128.0 177.7 -158.0 2.5 160.5 298 -2.9 298 -2.1 0 0.0 0 0.0 13 68
356 A 440 ARG R E E BHJ - 297 330 -107.6 136.0 178.9 -168.3 6.5 152.1 330 -2.7 330 -1.8 0 0.0 0 0.0 13 70
357 A 441 ILE I E E BHJ - 296 329 -121.0 141.1 175.6 -160.6 11.7 160.5 296 -2.7 296 -1.8 0 0.0 359 -0.5 11 78
358 A 442 SER S E E BHJ - 295 328 -119.6 110.5 -178.5 -138.2 24.5 167.3 328 -2.6 328 -2.0 0 0.0 0 0.0 15 71
359 A 443 ALA A e - 0 0 -71.6 143.7 -178.1 -168.9 21.4 117.2 294 -2.2 0 0.0 357 -0.5 0 0.0 15 69
360 A 444 GLY G - 0 0 -115.9 -162.3 -176.3 -82.6 39.3 109.3 0 0.0 0 0.0 0 0.0 0 0.0 15 58
361 A 445 ILE I S S S+ 0 0 -101.7 25.2 178.8 116.4 82.6 85.8 325 -1.8 0 0.0 0 0.0 0 0.0 11 44
362 A 446 GLU E S S S- 0 0 -79.2 -178.1 -179.9 -67.0 82.9 95.1 0 0.0 364 -0.5 0 0.0 0 0.0 9 41
363 A 447 ASP D h > > T - 0 0 -74.1 121.0 -177.9 -144.1 42.0 129.0 0 0.0 367 -1.7 0 0.0 366 -1.4 6 30
364 A 448 VAL V H H > 3 TS+ 0 0 -61.7 -19.0 177.8 60.3 99.6 45.4 362 -0.5 368 -2.5 0 0.0 0 0.0 9 40
365 A 449 ASP D H H > 3 TS+ 0 0 -76.2 -28.1 176.1 49.8 104.5 38.6 0 0.0 369 -1.6 0 0.0 0 0.0 6 31
366 A 450 ASP D H H > < TS+ 0 0 -72.2 -41.7 -179.2 43.9 114.6 30.3 363 -1.4 370 -1.4 0 0.0 0 0.0 9 28
367 A 451 LEU L H H X TS+ 0 0 -71.4 -48.3 178.6 45.5 115.6 21.6 363 -1.7 371 -1.7 0 0.0 0 0.0 11 45
368 A 452 ILE I H H X TS+ 0 0 -62.9 -40.9 178.4 48.7 114.9 23.8 364 -2.5 372 -2.2 0 0.0 0 0.0 10 44
369 A 453 SER S H H X TS+ 0 0 -65.5 -33.4 -179.2 56.7 107.4 31.0 365 -1.6 373 -2.1 0 0.0 0 0.0 8 31
370 A 454 ASP D H H X TS+ 0 0 -64.1 -41.1 179.5 44.2 110.0 28.1 366 -1.4 374 -1.3 0 0.0 0 0.0 11 37
371 A 455 LEU L H H X TS+ 0 0 -71.0 -40.8 -179.5 56.2 109.5 30.9 367 -1.7 375 -1.3 0 0.0 0 0.0 10 56
372 A 456 ASP D H H X > TS+ 0 0 -58.3 -52.5 179.2 48.6 106.6 17.7 368 -2.2 376 -1.7 0 0.0 375 -0.8 8 38
373 A 457 ILE I H H X 3 TS+ 0 0 -54.3 -43.6 -177.8 54.8 108.8 22.2 369 -2.1 377 -1.8 0 0.0 0 0.0 8 30
374 A 458 ALA A H H < 3 TS+ 0 0 -62.8 -27.4 180.0 50.3 107.0 39.8 370 -1.3 0 0.0 0 0.0 0 0.0 12 38
375 A 459 PHE F H H < < TS+ 0 0 -78.0 -30.7 -178.8 48.3 112.6 37.8 371 -1.3 0 0.0 372 -0.8 0 0.0 10 41
376 A 460 LYS K H H < TS+ 0 0 -82.3 -26.0 -179.1 51.9 108.0 46.0 372 -1.7 0 0.0 0 0.0 0 0.0 6 28
377 A 461 THR T S h < TS+ 0 0 -90.5 -7.2 180.0 121.0 78.2 57.7 373 -1.8 0 0.0 0 0.0 0 0.0 6 23
378 A 462 PHE F - 0 0 -64.5 116.9 -179.7 -124.5 64.1 115.7 0 0.0 0 0.0 0 0.0 0 0.0 8 26
379 A 463 PRO P 0 0 -66.2 135.8 179.5 999.9 999.9 110.2 0 0.0 0 0.0 0 0.0 0 0.0 3 18
380 A 464 LEU L 0 0 -111.2 999.9 999.9 999.9 999.9 151.6 0 0.0 0 0.0 0 0.0 0 0.0 2 15
1ibjA.pdb
1IBJ LYASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHT SS TT SS SB SSSS S SBTTT HHHHHHHHHHHHHHT SEEEEESSHHHHHHHHHTTS TT EEEEESS HHH Kabs/Sand
chirality -++++++-+++++-+---+----++-+------++---+++-++---+++++++++++++-+---------+++++++++++--++---+--++--+++ chirality
bends SSSSSS SS SS SS S SSSS S S SSS SSSSSSSSSSSSSS S SSSSSSSSSSSSSS SS SS SSS bends
turns TTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33< >33< >>><<<>33< >33< 3-turns
bridge-2 B cccc bridge-2
bridge-1 A A AAAAA bbbbb bridge-1
sheets AAAAA AAAAA sheets
4-turns >>>4<<< >444<>>>>XXXXXXXX<<<< >>>>XXX<<<< >>>> 4-turns
summary hHHHHHht SStTTt SS SB SSSS S SBTTTthHHHHHHHHHHHHHHhtSEEEEEShHHHHHHHHHhTttTTeEEEEEeS hHHH summary
sequence ASVSTLLVNLDNKFDPFDAMSTPLYQTATFKQPSAIENGPYDYTRSGNPTRDALESLLAKLDKADRAFCFTSGMAALSAVTHLIKNGEEIVAGDDVYGGS sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHTSGGGT EEEEE TTSHHHHHHH SSEEEEEE SS TTT HHHHHHHHHTTT EEEEE TTT TTT GGGTT SEEEEETTTTTT SS Kabs/Sand
chirality ++++++++++-+----+--++-++++++++-++++--+--+---+-+----++++++++++-+-----++++--+++--+++-+-+-----++-++-+-+ chirality
bends SSSSSSSSSSSS SSSSSSSSSS SS SS SSS SSSSSSSSSSS SSS SSS SSSSS S SSSSSS SS bends
turns TTTTTTTTTTTTT TTTTTTTTTTTT TTTTT TTTTTTTTTTTTTT TTTTTTTTTTTTTTTT TTTTTTTT turns
5-turns >>5555555< >5555< >5555< 5-turns
3-turns >>3<< >33X33< >33< >>3<< >33<>33< >>3<< >33< 3-turns
bridge-2 dddd eee FFFFF bridge-2
bridge-1 bbbbb c*ccc dddd eee bridge-1
sheets AAAAA AAAAAA AAAAA AAAAA sheets
4-turns XXX<<<< >>>>X<<<< >444< >>>>XXX<<<< >444X444< >444< 4-turns
summary HHHHHHhgGGGgtEEEEEtTThHHHHHHHh SeEEEEEE SStTTTt hHHHHHHHHHhTTtEEEEEeTTTtTTTtgGGGgTteEEEEEeTTTTTtSS summary
sequence DRLLSQVVPRSGVVVKRVNTTKLDEVAAAIGPQTKLVWLESPTNPRQQISDIRKISEMAHAQGALVLVDNSIMSPVLSRPLELGADIVMHSATKFIAGHS sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EEEEE SHHHHHHHHHHHHHTT B HHHHHHHHHHHTTHHHHHHHHHHHHHHHHHHHHT TT EEE TTSTTSTTHHHHTTT S SEEEEE Kabs/Sand
chirality +-+------+-+++++++++++++-++---++++++++++++++++++++++++++++++++++-++----+-++-++-+++++++++-+---++----- chirality
bends SSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS SS SSSSSSSSSSSSSSS S S bends
turns TTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >>3<< >33< >>><<< >33< >33X33< >33X33X3><3X>3<< 3-turns
bridge-2 FFFFF HHHH bridge-2
bridge-1 AAAAA B GGG GGG bridge-1
sheets AAAAA BBB BBBBB sheets
4-turns >>>>XXXXXXX<<<< >>>>XXXXX<<<<>>>>XXXXXXXXXXXXXX<<<< >>44X<44< 4-turns
summary eEEEEEehHHHHHHHHHHHHHhTtB hHHHHHHHHHHHhhHHHHHHHHHHHHHHHHHHHHhtTTt EEEtTTtTTtThHHHHhTTtS eEEEEE summary
sequence DVMAGVLAVKGEKLAKEVYFLQNSEGSGLAPFDCWLCLRGIKTMALRIEKQQENARKIAMYLSSHPRVKKVYYAGLPDHPGHHLHFSQAKGAGSVFSFIT sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand S HHHHHHHHHH SSSEE S SSS EEE TTTTTT S SSSSSSSS TT EEEE SS HHHHHHHHHHHHHS Kabs/Sand
chirality +-++++++++++-++--+-+-++-+---+--++++++++--++++++-+--++-------+--++++++++++++++- chirality
bends S SSSSSSSSSS SSS S SSS SSSSSS S SSSSSSSS SS SS SSSSSSSSSSSSSS bends
turns TTTTTTTTTTTT TTTTTTTT TTTT TTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33< >33< 3-turns
bridge-2 JJJ JJJ bridge-2
bridge-1 ii ii HHHH bridge-1
sheets BB BBB BBBB sheets
4-turns >>>>XXXX<<<< >444< >>>>XXXXXXX<<<< 4-turns
summary ShHHHHHHHHHHhSSSEEeS SSSeEEEtTTTTTTtS SSSSSSSS tTTtEEEEe SShHHHHHHHHHHHHHh summary
sequence GSVALSKHLVETTKYFSIAVSFGSVKSLISMPCFMSHASIPAEVREARGLTEDLVRISAGIEDVDDLISDLDIAFKTFPL sequence
310 320 330 340 350 360 370 380