Secondary structure calculation program - copyright by David Keith Smith, 1989
1evlA.pdb
1EVL LIGASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 401
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 242 ARG R 0 0 999.9 -18.0 -179.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 30
2 A 243 ASP D h > T - 0 0 -76.4 131.4 -178.0 -138.9 999.9 123.8 0 0.0 6 -2.3 0 0.0 0 0.0 9 34
3 A 244 HIS H H H > TS+ 0 0 -61.3 -26.9 179.6 58.5 101.3 40.1 0 0.0 7 -2.5 0 0.0 0 0.0 14 49
4 A 245 ARG R H H > TS+ 0 0 -69.8 -40.1 179.1 42.3 110.5 23.5 0 0.0 8 -1.4 0 0.0 0 0.0 8 45
5 A 246 LYS K H H > TS+ 0 0 -71.4 -40.3 179.3 46.7 117.0 26.7 0 0.0 9 -2.3 0 0.0 0 0.0 8 35
6 A 247 ILE I H H X TS+ 0 0 -68.2 -38.5 178.9 56.7 108.6 26.4 2 -2.3 10 -2.2 0 0.0 0 0.0 12 44
7 A 248 GLY G H H < >TS+ 0 0 -60.0 -35.9 179.5 45.7 109.3 29.4 3 -2.5 12 -2.5 0 0.0 0 0.0 12 51
8 A 249 LYS K H H < >5TS+ 0 0 -72.6 -43.9 -179.7 53.2 110.0 22.5 4 -1.4 11 -1.1 0 0.0 0 0.0 10 37
9 A 250 GLN Q H H < 35TS+ 0 0 -60.1 -32.9 -179.4 38.3 117.4 33.7 5 -2.3 0 0.0 0 0.0 0 0.0 8 36
10 A 251 LEU L T h < 35TS- 0 0 -101.3 5.8 179.2 -124.5 106.2 68.7 6 -2.2 0 0.0 0 0.0 0 0.0 11 47
11 A 252 ASP D T T <5T + 0 0 53.8 44.3 -178.8 144.1 61.4 28.4 8 -1.1 28 -0.5 0 0.0 0 0.0 10 40
12 A 253 LEU L e T - 0 0 -147.0 164.3 -178.1 -101.0 38.5 165.2 0 0.0 19 -1.9 0 0.0 0 0.0 6 23
17 A 258 GLU E T T 3 TS+ 0 0 -55.9 -31.1 -179.8 66.8 111.8 41.6 0 0.0 0 0.0 0 0.0 0 0.0 5 17
18 A 259 GLU E T T 3 TS+ 0 0 -70.9 -6.3 179.2 30.5 114.0 54.7 0 0.0 0 0.0 0 0.0 0 0.0 4 14
19 A 260 ALA A S t X TS- 0 0 -149.0 68.4 -179.5 -157.3 82.4 114.4 16 -1.9 22 -2.3 0 0.0 0 0.0 8 29
20 A 261 PRO P T T 3 TS+ 0 0 -50.5 128.8 179.4 0.4 82.2 101.2 0 0.0 0 0.0 0 0.0 0 0.0 10 30
21 A 262 GLY G T T 3 TS+ 0 0 65.2 18.0 179.7 122.4 102.2 47.8 0 0.0 136 -2.4 0 0.0 137 -1.6 13 41
22 A 263 MET M t < T - 0 0 -114.9 119.6 -177.7 -137.4 56.4 164.5 19 -2.3 0 0.0 0 0.0 0 0.0 10 41
23 A 264 VAL V - 0 0 -84.3 135.0 174.6 -154.2 7.8 125.9 0 0.0 25 -0.8 0 0.0 0 0.0 11 47
24 A 265 PHE F E E AA - 14 0 -101.0 102.6 179.8 -151.7 22.3 157.0 14 -2.3 14 -1.7 0 0.0 26 -0.7 7 36
25 A 266 TRP W E E AA - 13 0 -82.0 116.4 178.3 -151.3 7.6 135.1 23 -0.8 0 0.0 0 0.0 0 0.0 10 38
26 A 267 HIS H h > T - 0 0 -76.9 171.1 -179.2 -90.7 35.7 106.7 12 -1.7 30 -3.0 24 -0.7 0 0.0 10 30
27 A 268 ASN N H H > TS+ 0 0 -49.6 -49.2 -177.1 46.2 126.2 24.9 0 0.0 31 -1.6 0 0.0 0 0.0 7 29
28 A 269 ASP D H H > TS+ 0 0 -67.8 -37.4 177.2 45.1 114.5 28.8 11 -0.5 32 -1.2 0 0.0 0 0.0 13 43
29 A 270 GLY G H H > TS+ 0 0 -70.8 -38.0 -179.9 54.0 111.5 26.7 12 -0.7 33 -2.1 0 0.0 0 0.0 12 53
30 A 271 TRP W H H X TS+ 0 0 -65.0 -29.7 178.5 60.1 101.7 34.0 26 -3.0 34 -2.9 0 0.0 0 0.0 10 41
31 A 272 THR T H H X TS+ 0 0 -63.5 -41.4 179.8 46.0 106.3 22.5 27 -1.6 35 -2.1 0 0.0 0 0.0 10 38
32 A 273 ILE I H H X TS+ 0 0 -64.8 -45.6 -179.9 51.4 112.1 20.4 28 -1.2 36 -2.1 0 0.0 0 0.0 12 56
33 A 274 PHE F H H X TS+ 0 0 -56.1 -50.5 -179.9 47.7 111.4 20.5 29 -2.1 37 -1.9 0 0.0 0 0.0 10 49
34 A 275 ARG R H H X TS+ 0 0 -63.3 -36.3 178.6 52.7 109.1 30.2 30 -2.9 38 -2.1 0 0.0 0 0.0 8 38
35 A 276 GLU E H H X TS+ 0 0 -68.7 -32.9 177.3 52.2 107.6 29.8 31 -2.1 39 -2.2 0 0.0 0 0.0 10 48
36 A 277 LEU L H H X TS+ 0 0 -67.6 -37.1 178.0 52.1 108.3 27.7 32 -2.1 40 -2.9 0 0.0 0 0.0 10 53
37 A 278 GLU E H H X TS+ 0 0 -63.2 -42.9 179.1 49.8 108.5 24.0 33 -1.9 41 -2.8 0 0.0 0 0.0 8 43
38 A 279 VAL V H H X TS+ 0 0 -60.3 -44.2 178.8 49.4 112.2 22.6 34 -2.1 42 -2.0 0 0.0 0 0.0 8 34
39 A 280 PHE F H H X TS+ 0 0 -59.8 -51.3 179.8 46.9 111.8 17.9 35 -2.2 43 -1.6 0 0.0 0 0.0 8 49
40 A 281 VAL V H H X TS+ 0 0 -58.5 -45.2 -179.9 52.6 110.9 22.1 36 -2.9 44 -2.8 0 0.0 0 0.0 9 54
41 A 282 ARG R H H X TS+ 0 0 -59.6 -37.2 179.7 56.8 103.8 29.6 37 -2.8 45 -2.4 0 0.0 0 0.0 8 38
42 A 283 SER S H H X TS+ 0 0 -61.6 -38.1 178.9 41.7 112.7 25.3 38 -2.0 46 -1.5 0 0.0 0 0.0 8 33
43 A 284 LYS K H H X TS+ 0 0 -76.1 -35.8 179.4 57.5 109.4 30.0 39 -1.6 47 -2.7 0 0.0 0 0.0 9 42
44 A 285 LEU L H H < >TS+ 0 0 -59.2 -42.8 -179.4 49.8 107.5 22.6 40 -2.8 49 -1.4 0 0.0 0 0.0 11 41
45 A 286 LYS K H H < >5TS+ 0 0 -60.2 -48.8 179.8 46.9 111.7 22.0 41 -2.4 48 -1.1 0 0.0 0 0.0 8 27
46 A 287 GLU E H H < 35TS+ 0 0 -61.4 -41.5 -179.0 45.5 115.4 28.6 42 -1.5 0 0.0 0 0.0 0 0.0 6 23
47 A 288 TYR Y T h < 35TS- 0 0 -88.6 8.9 177.5 -111.9 117.5 72.0 43 -2.7 0 0.0 0 0.0 0 0.0 6 38
48 A 289 GLN Q T T <5T + 0 0 62.0 68.5 179.4 156.8 56.3 13.3 45 -1.1 0 0.0 0 0.0 0 0.0 7 31
49 A 290 TYR Y t CC > T - 86 0 -49.8 135.9 -179.9 -126.7 41.0 98.2 0 0.0 62 -1.4 0 0.0 63 -1.0 10 36
60 A 301 ARG R H H > 3 TS+ 0 0 -57.9 -27.6 179.9 70.0 106.8 37.3 85 -2.6 64 -1.3 0 0.0 0 0.0 10 39
61 A 302 VAL V H H > 3 TS+ 0 0 -59.9 -36.6 179.2 52.2 95.8 28.4 0 0.0 65 -2.1 0 0.0 0 0.0 6 33
62 A 303 LEU L H H > < TS+ 0 0 -66.3 -39.0 -180.0 51.1 107.9 24.6 59 -1.4 66 -1.8 0 0.0 0 0.0 8 45
63 A 304 TRP W H H < >TS+ 0 0 -71.0 -19.6 176.8 54.6 107.1 44.2 59 -1.0 69 -2.2 0 0.0 68 -0.8 12 50
64 A 305 GLU E H H < >5TS+ 0 0 -76.0 -43.9 -179.9 51.4 106.6 23.6 60 -1.3 67 -0.8 0 0.0 0 0.0 10 43
65 A 306 LYS K H H < 35TS+ 0 0 -58.9 -40.5 -178.5 50.4 108.5 29.1 61 -2.1 0 0.0 0 0.0 0 0.0 9 35
66 A 307 THR T T h < 35TS- 0 0 -73.2 -18.5 -178.5 -113.8 115.2 47.3 62 -1.8 0 0.0 0 0.0 0 0.0 11 47
67 A 308 GLY G T h > <5TS+ 0 0 99.0 -2.8 179.1 116.7 86.3 67.8 64 -0.8 71 -2.0 0 0.0 0 0.0 10 42
68 A 309 HIS H H H > TS+ 0 0 -145.5 23.2 -177.7 126.0 76.2 85.8 68 -2.4 75 -0.8 0 0.0 76 -0.7 9 44
73 A 314 LYS K G G 4 > TS+ 0 0 -53.5 -50.8 -177.9 53.9 70.1 27.7 0 0.0 76 -1.2 0 0.0 0 0.0 8 36
74 A 315 ASP D G G 4 3 TS+ 0 0 -60.6 -26.5 -177.9 54.5 105.8 41.4 0 0.0 0 0.0 0 0.0 0 0.0 5 30
75 A 316 ALA A G G 4 < TS+ 0 0 -85.1 -14.0 -176.7 92.4 90.9 49.5 72 -0.8 123 -2.9 0 0.0 0 0.0 9 39
76 A 317 MET M g < < T - 0 0 -94.3 133.8 176.3 -145.7 63.1 132.6 73 -1.2 0 0.0 72 -0.7 0 0.0 13 43
77 A 318 PHE F e - 0 0 -84.9 139.5 178.7 -158.7 23.3 134.4 0 0.0 88 -2.5 0 0.0 0 0.0 10 42
78 A 319 THR T E E CD + 87 0 -122.4 156.3 178.2 167.0 17.7 150.6 0 0.0 0 0.0 0 0.0 0 0.0 8 36
79 A 320 THR T E E CD - 86 0 -153.4 170.2 -179.5 -141.0 17.7 159.1 86 -2.3 86 -3.4 0 0.0 0 0.0 8 28
80 A 321 SER S E E CD - 85 0 -141.9 164.9 178.3 -176.7 13.6 160.0 0 0.0 0 0.0 0 0.0 0 0.0 8 19
81 A 322 SER S E E CD > TS- 84 0 -160.5 131.2 178.0 -8.6 71.6 154.9 84 -2.3 84 -1.8 0 0.0 0 0.0 7 16
82 A 323 GLU E T T 3 TS- 0 0 45.7 53.9 177.8 -46.9 129.2 28.5 0 0.0 0 0.0 0 0.0 0 0.0 4 11
83 A 324 ASN N T T 3 TS+ 0 0 71.5 6.8 179.6 110.6 116.7 59.7 0 0.0 0 0.0 0 0.0 0 0.0 5 13
84 A 325 ARG R E E C D< T - 0 81 -117.5 142.6 179.9 -137.0 59.8 156.2 81 -1.8 81 -2.3 0 0.0 0 0.0 7 18
85 A 326 GLU E E E C D - 0 80 -97.3 139.2 178.9 -172.4 21.0 140.8 0 0.0 60 -2.6 0 0.0 0 0.0 10 24
86 A 327 TYR Y E E CCD - 59 79 -129.1 152.0 175.9 -141.8 16.1 158.5 79 -3.4 79 -2.3 0 0.0 0 0.0 12 34
87 A 328 CYS C E E CCD - 58 78 -112.5 134.2 175.9 -128.8 20.5 161.6 58 -2.5 58 -1.6 0 0.0 0 0.0 13 46
88 A 329 ILE I E E CC - 57 0 -74.6 136.5 -173.9 -95.2 49.3 130.5 77 -2.5 0 0.0 0 0.0 0 0.0 13 45
89 A 330 LYS K e + 0 0 -67.4 130.7 178.6 179.9 40.7 109.0 56 -3.1 121 -2.0 0 0.0 0 0.0 13 53
90 A 331 PRO P S S S+ 0 0 -96.2 -13.1 -178.7 23.1 79.2 56.5 0 0.0 0 0.0 0 0.0 0 0.0 9 57
91 A 332 MET M - 0 0 -148.8 158.2 -178.0 -138.0 66.3 165.1 0 0.0 0 0.0 0 0.0 0 0.0 8 69
92 A 333 ASN N S h > TS+ 0 0 -96.8 -11.6 -177.3 91.2 79.5 56.2 0 0.0 96 -1.8 0 0.0 0 0.0 13 60
93 A 334 CYS C H H > TS+ 0 0 -54.3 -52.4 -179.5 50.8 82.6 26.9 0 0.0 97 -2.3 0 0.0 0 0.0 9 72
94 A 335 PRO P H H > TS+ 0 0 -56.9 -39.4 178.4 51.4 110.8 25.3 0 0.0 98 -2.1 0 0.0 0 0.0 10 64
95 A 336 GLY G H H > TS+ 0 0 -62.9 -39.2 179.2 51.5 108.3 26.8 0 0.0 99 -1.8 0 0.0 0 0.0 9 55
96 A 337 HIS H H H X TS+ 0 0 -66.4 -36.5 178.6 51.2 108.2 28.6 92 -1.8 100 -2.4 0 0.0 0 0.0 11 61
97 A 338 VAL V H H X TS+ 0 0 -67.6 -37.3 179.2 55.1 106.2 26.2 93 -2.3 101 -2.6 0 0.0 0 0.0 11 58
98 A 339 GLN Q H H < TS+ 0 0 -61.5 -37.2 179.2 46.1 110.5 26.8 94 -2.1 0 0.0 0 0.0 0 0.0 9 47
99 A 340 ILE I H H < > TS+ 0 0 -69.8 -42.1 178.9 51.8 110.8 22.4 95 -1.8 102 -1.6 0 0.0 0 0.0 7 40
100 A 341 PHE F H H < 3 TS+ 0 0 -59.0 -38.5 -178.3 61.3 102.8 29.4 96 -2.4 0 0.0 0 0.0 0 0.0 8 51
101 A 342 ASN N T h < 3 TS+ 0 0 -68.6 -7.4 179.7 94.4 82.4 59.1 97 -2.6 103 -0.9 0 0.0 0 0.0 10 41
102 A 343 GLN Q S t < TS+ 0 0 -91.4 108.4 -179.7 9.2 89.1 142.6 99 -1.6 0 0.0 0 0.0 0 0.0 6 25
103 A 344 GLY G S S S- 0 0 97.4 132.9 -179.6 -71.6 99.5 71.4 101 -0.9 0 0.0 0 0.0 0 0.0 5 20
104 A 345 LEU L - 0 0 -57.8 131.9 179.7 -149.2 51.5 107.2 0 0.0 0 0.0 0 0.0 0 0.0 7 27
105 A 346 LYS K - 0 0 -109.3 145.3 179.4 -163.6 10.1 147.2 0 0.0 257 -2.5 0 0.0 0 0.0 9 37
106 A 347 SER S B B a > T - 257 0 -119.6 163.1 178.9 -108.0 38.3 142.1 0 0.0 109 -2.1 0 0.0 0 0.0 9 29
107 A 348 TYR Y G G > TS+ 0 0 -61.0 -23.4 179.9 68.3 119.0 38.1 257 -2.1 110 -1.3 0 0.0 0 0.0 10 35
108 A 349 ARG R G G 3 TS+ 0 0 -69.7 -16.0 179.6 59.5 91.2 47.7 0 0.0 0 0.0 0 0.0 0 0.0 5 29
109 A 350 ASP D G G < TS+ 0 0 -88.0 -7.4 -178.5 135.5 91.8 57.9 106 -2.1 0 0.0 0 0.0 0 0.0 7 36
110 A 351 LEU L g < T + 0 0 -101.8 147.4 -0.3 40.5 45.5 136.3 107 -1.3 0 0.0 0 0.0 0 0.0 9 43
111 A 352 PRO P S S S- 0 0 -74.2 142.3 179.0 -176.3 76.5 60.7 0 0.0 113 -0.6 0 0.0 0 0.0 10 47
112 A 353 LEU L E E B E - 0 146 -111.6 112.5 -177.6 -161.5 7.9 161.3 146 -2.5 146 -2.7 0 0.0 114 -0.7 9 57
113 A 354 ARG R E E B E - 0 145 -100.8 113.7 -176.2 -175.0 8.7 149.9 111 -0.6 50 -3.1 0 0.0 115 -0.6 11 58
114 A 355 MET M E E BbE - 50 144 -116.4 109.8 -179.0 -175.6 3.8 157.0 144 -2.6 144 -2.3 112 -0.7 0 0.0 12 54
115 A 356 ALA A E E BbE + 51 143 -103.4 160.4 177.3 172.8 6.8 129.5 50 -2.6 52 -2.6 113 -0.6 0 0.0 13 57
116 A 357 GLU E E E B E - 0 142 -160.9 139.7 172.8 -131.6 38.7 161.2 142 -2.4 142 -1.5 0 0.0 118 -1.5 12 56
117 A 358 PHE F E E B E - 0 141 -90.1 91.6 -174.6 -164.6 51.6 145.0 0 0.0 119 -0.6 0 0.0 0 0.0 9 55
118 A 359 GLY G E E B E - 0 140 -96.7 123.3 178.9 -138.5 21.6 139.0 140 -1.5 140 -2.6 116 -1.5 120 -0.6 12 50
119 A 360 SER S E E B E - 0 139 -76.1 114.7 180.0 -175.1 29.0 129.2 117 -0.6 0 0.0 0 0.0 0 0.0 11 48
120 A 361 CYS C E E B E - 0 138 -112.2 149.6 176.0 -160.0 12.9 147.2 138 -3.1 138 -2.4 118 -0.6 0 0.0 14 49
121 A 362 HIS H E E B E + 0 137 -131.2 130.4 179.8 177.3 11.2 176.8 89 -2.0 0 0.0 0 0.0 0 0.0 13 51
122 A 363 ARG R e - 0 0 -134.7 134.5 -179.1 -127.0 34.4 178.7 136 -2.4 124 -2.3 0 0.0 0 0.0 10 48
123 A 364 ASN N - 0 0 -79.7 69.5 179.7 -178.0 39.7 117.8 75 -2.9 0 0.0 0 0.0 0 0.0 9 36
124 A 365 GLU E - 0 0 -69.2 140.3 179.7 -94.6 39.6 116.9 122 -2.3 0 0.0 0 0.0 0 0.0 9 33
125 A 366 PRO P g > > T - 0 0 -56.0 135.5 -177.8 -127.2 32.8 108.9 0 0.0 128 -1.9 0 0.0 129 -0.5 6 25
126 A 367 SER S G G 4 > TS+ 0 0 -56.1 -34.7 180.0 60.3 107.3 32.9 0 0.0 129 -1.2 0 0.0 0 0.0 7 27
127 A 368 GLY G G G 4 3 TS+ 0 0 -67.4 -16.3 -178.5 54.2 102.1 45.9 0 0.0 0 0.0 0 0.0 0 0.0 4 17
128 A 369 SER S G G 4 < TS+ 0 0 -94.0 -8.7 -178.8 114.9 81.0 56.6 125 -1.9 0 0.0 0 0.0 0 0.0 7 23
129 A 370 LEU L g < < T + 0 0 -65.3 141.9 -179.3 179.2 39.8 109.3 126 -1.2 0 0.0 125 -0.5 0 0.0 12 32
130 A 371 HIS H B B > B > T - 134 0 -151.3 106.1 179.5 -80.2 43.9 144.6 134 -2.1 134 -2.1 0 0.0 133 -1.1 8 46
131 A 372 GLY G T T 4 3 TS- 0 0 40.8 -127.1 179.3 -28.0 101.4 92.6 0 0.0 0 0.0 0 0.0 0 0.0 10 52
132 A 373 LEU L T T 4 3 TS+ 0 0 -91.8 -11.9 -177.5 75.8 131.0 55.6 0 0.0 0 0.0 0 0.0 0 0.0 12 63
133 A 374 MET M T T 4 < TS+ 0 0 -69.3 -44.2 178.2 20.8 107.1 27.8 130 -1.1 0 0.0 0 0.0 0 0.0 12 58
134 A 375 ARG R B B < B TS+ 130 0 -132.3 108.3 -178.1 152.5 81.9 157.2 130 -2.1 130 -2.1 0 0.0 0 0.0 10 47
135 A 376 VAL V - 0 0 -124.6 174.9 178.5 -126.1 48.6 133.8 0 0.0 0 0.0 0 0.0 0 0.0 15 52
136 A 377 ARG R S e S+ 0 0 -97.5 -22.7 178.5 42.5 99.3 48.7 21 -2.4 122 -2.4 0 0.0 0 0.0 12 45
137 A 378 GLY G E E BE S+ 121 0 -125.6 124.7 -179.3 149.0 74.9 173.4 21 -1.6 0 0.0 0 0.0 0 0.0 11 52
138 A 379 PHE F E E BE - 120 0 -152.3 162.9 -179.5 -121.2 41.2 168.3 120 -2.4 120 -3.1 0 0.0 140 -0.5 12 57
139 A 380 THR T E E BE - 119 0 -112.2 120.7 179.8 -155.4 24.4 159.0 0 0.0 277 -2.8 0 0.0 0 0.0 11 58
140 A 381 GLN Q E E BEF - 118 276 -92.9 144.3 173.3 -136.6 20.7 134.7 118 -2.6 142 -1.6 138 -0.5 118 -1.5 14 60
141 A 382 ASP D E E BE* + 117 0 -92.6 73.4 -173.8 169.5 57.0 128.2 275 -0.9 273 -0.9 0 0.0 0 0.0 15 63
142 A 383 ASP D E E BEF + 116 272 -89.7 161.3 173.7 168.6 23.4 110.1 140 -1.6 116 -2.4 116 -1.5 0 0.0 14 63
143 A 384 ALA A E E BEF - 115 271 -166.5 151.8 176.0 -150.7 19.5 159.5 271 -0.9 271 -2.1 0 0.0 0 0.0 12 65
144 A 385 HIS H E E BEF - 114 270 -129.2 130.6 -179.8 -154.3 11.4 179.2 114 -2.3 114 -2.6 0 0.0 146 -0.6 13 68
145 A 386 ILE I E E BEF - 113 269 -108.4 122.1 178.8 -156.7 3.9 158.7 269 -2.6 269 -2.4 0 0.0 147 -0.6 12 69
146 A 387 PHE F E E BEF + 112 268 -97.1 124.1 -178.2 143.8 34.2 151.6 112 -2.7 112 -2.5 144 -0.6 0 0.0 12 67
147 A 388 CYS C E E B F - 0 267 -150.5 178.0 178.4 -91.0 48.7 153.6 267 -2.3 267 -3.1 145 -0.6 0 0.0 13 55
148 A 389 THR T g > > T - 0 0 -89.7 166.2 179.7 -107.1 43.5 119.5 0 0.0 151 -0.9 0 0.0 152 -0.6 11 44
149 A 390 GLU E G G 4 > TS+ 0 0 -62.5 -32.7 -179.9 56.6 121.8 30.4 0 0.0 152 -0.9 0 0.0 0 0.0 7 40
150 A 391 GLU E G G 4 3 TS+ 0 0 -70.4 -21.4 -179.3 53.6 104.3 42.6 0 0.0 0 0.0 0 0.0 0 0.0 5 33
151 A 392 GLN Q G h > < TS+ 0 0 -90.1 -8.5 -179.6 92.3 81.4 56.7 148 -0.9 155 -2.6 0 0.0 0 0.0 9 37
152 A 393 ILE I H H X < TS+ 0 0 -51.0 -51.9 -179.1 52.5 83.2 22.9 149 -0.9 156 -3.0 148 -0.6 0 0.0 11 47
153 A 394 ARG R H H > TS+ 0 0 -52.0 -54.4 -179.4 40.6 114.1 21.1 0 0.0 157 -2.4 0 0.0 0 0.0 9 40
154 A 395 ASP D H H > TS+ 0 0 -64.5 -39.1 -178.7 49.1 116.9 28.7 0 0.0 158 -2.0 0 0.0 0 0.0 7 38
155 A 396 GLU E H H X TS+ 0 0 -71.1 -39.2 177.8 44.8 113.3 26.6 151 -2.6 159 -1.7 0 0.0 0 0.0 11 52
156 A 397 VAL V H H X TS+ 0 0 -69.1 -41.8 178.5 52.3 112.9 23.4 152 -3.0 160 -2.4 0 0.0 0 0.0 12 62
157 A 398 ASN N H H X TS+ 0 0 -58.7 -40.0 -180.0 53.6 107.5 24.9 153 -2.4 161 -2.4 0 0.0 0 0.0 10 45
158 A 399 GLY G H H X TS+ 0 0 -62.5 -40.4 179.3 48.5 108.2 27.9 154 -2.0 162 -1.9 0 0.0 0 0.0 8 53
159 A 400 CYS C H H X TS+ 0 0 -66.5 -42.0 179.9 50.9 110.6 24.4 155 -1.7 163 -2.0 0 0.0 0 0.0 10 64
160 A 401 ILE I H H X TS+ 0 0 -61.6 -42.7 179.7 48.7 110.7 23.2 156 -2.4 164 -1.8 0 0.0 0 0.0 9 58
161 A 402 ARG R H H X TS+ 0 0 -64.4 -36.9 179.9 55.3 108.3 27.7 157 -2.4 165 -2.3 0 0.0 0 0.0 8 42
162 A 403 LEU L H H X TS+ 0 0 -62.8 -40.6 179.5 54.1 104.7 27.2 158 -1.9 166 -2.8 0 0.0 0 0.0 9 52
163 A 404 VAL V H H X TS+ 0 0 -59.3 -55.0 -179.2 39.2 113.4 14.7 159 -2.0 167 -2.8 0 0.0 0 0.0 11 57
164 A 405 TYR Y H H X TS+ 0 0 -64.9 -33.8 178.4 56.9 114.3 29.5 160 -1.8 168 -2.0 0 0.0 0 0.0 8 43
165 A 406 ASP D H H X TS+ 0 0 -58.4 -58.5 -179.7 36.9 114.3 13.2 161 -2.3 169 -0.6 0 0.0 0 0.0 8 34
166 A 407 MET M H H < > TS+ 0 0 -65.0 -38.8 -179.2 55.0 114.8 29.1 162 -2.8 169 -0.9 0 0.0 0 0.0 10 48
167 A 408 TYR Y H H < >>TS+ 0 0 -66.8 -30.6 -179.8 65.8 96.1 34.0 163 -2.8 170 -1.3 0 0.0 172 -0.9 9 48
168 A 409 SER S H H < >5TS+ 0 0 -62.5 -25.1 179.0 67.3 89.5 38.1 164 -2.0 171 -0.6 0 0.0 0 0.0 8 33
169 A 410 THR T T h < <5TS+ 0 0 -62.4 -30.6 -177.9 41.9 105.8 31.5 166 -0.9 0 0.0 165 -0.6 0 0.0 9 42
170 A 411 PHE F T T <5TS- 0 0 -95.4 -7.3 178.7 -127.9 105.3 59.0 167 -1.3 0 0.0 0 0.0 0 0.0 7 49
171 A 412 GLY G T T <5T - 0 0 65.8 33.2 179.1 -177.0 34.9 36.0 168 -0.6 0 0.0 0 0.0 0 0.0 7 32
172 A 413 PHE F t T - 0 0 -78.0 160.9 179.0 -115.4 38.4 108.8 0 0.0 193 -2.1 0 0.0 0 0.0 6 29
190 A 431 ASP D H H > TS+ 0 0 -63.0 -32.7 179.5 55.6 118.6 32.1 0 0.0 194 -2.1 0 0.0 0 0.0 6 26
191 A 432 GLU E H H > TS+ 0 0 -66.7 -39.6 179.0 50.9 105.7 27.5 0 0.0 195 -2.1 0 0.0 0 0.0 6 22
192 A 433 MET M H H > TS+ 0 0 -63.5 -43.9 179.0 48.2 111.3 23.2 0 0.0 196 -2.6 0 0.0 0 0.0 9 36
193 A 434 TRP W H H X TS+ 0 0 -65.3 -35.8 179.2 55.4 107.7 29.4 189 -2.1 197 -2.5 0 0.0 0 0.0 12 42
194 A 435 ASP D H H X TS+ 0 0 -60.8 -46.3 -179.3 43.3 112.5 19.9 190 -2.1 198 -1.9 0 0.0 0 0.0 8 33
195 A 436 ARG R H H X TS+ 0 0 -65.6 -45.8 -179.1 48.0 114.7 24.6 191 -2.1 199 -2.5 0 0.0 0 0.0 8 37
196 A 437 ALA A H H X TS+ 0 0 -64.4 -43.8 179.7 48.0 112.6 24.4 192 -2.6 200 -2.0 0 0.0 0 0.0 13 51
197 A 438 GLU E H H X TS+ 0 0 -64.2 -40.3 179.5 49.0 113.1 24.8 193 -2.5 201 -2.0 0 0.0 0 0.0 10 52
198 A 439 ALA A H H X TS+ 0 0 -65.9 -42.0 179.5 53.8 108.3 25.1 194 -1.9 202 -2.6 0 0.0 0 0.0 8 40
199 A 440 ASP D H H X TS+ 0 0 -59.8 -42.6 -179.6 45.5 111.0 26.0 195 -2.5 203 -1.8 0 0.0 0 0.0 10 47
200 A 441 LEU L H H X TS+ 0 0 -70.5 -36.1 179.8 50.8 112.2 28.3 196 -2.0 204 -1.9 0 0.0 0 0.0 14 60
201 A 442 ALA A H H X TS+ 0 0 -66.3 -43.7 179.3 49.4 110.6 21.9 197 -2.0 205 -2.4 0 0.0 0 0.0 9 46
202 A 443 VAL V H H X TS+ 0 0 -62.3 -38.4 179.7 54.0 108.0 27.4 198 -2.6 206 -2.8 0 0.0 0 0.0 8 41
203 A 444 ALA A H H X TS+ 0 0 -62.4 -41.7 179.9 48.1 109.6 23.4 199 -1.8 207 -1.3 0 0.0 0 0.0 11 46
204 A 445 LEU L H H < >TS+ 0 0 -65.4 -42.0 179.7 46.8 113.4 24.5 200 -1.9 209 -2.8 0 0.0 0 0.0 11 46
205 A 446 GLU E H H < >5TS+ 0 0 -66.2 -42.4 -179.8 54.9 108.6 23.6 201 -2.4 208 -1.9 0 0.0 0 0.0 9 27
206 A 447 GLU E H H < 35TS+ 0 0 -60.7 -29.7 179.7 47.2 110.2 38.1 202 -2.8 0 0.0 0 0.0 0 0.0 7 24
207 A 448 ASN N T h < 35TS- 0 0 -94.8 7.6 179.6 -119.2 114.8 73.3 203 -1.3 0 0.0 0 0.0 0 0.0 7 29
208 A 449 ASN N T T <5T + 0 0 54.9 46.1 -179.6 154.9 59.4 26.0 205 -1.9 0 0.0 0 0.0 0 0.0 6 22
209 A 450 ILE I t T - 180 0 -136.4 86.5 -176.7 -143.0 25.7 142.3 179 -2.2 217 -1.5 0 0.0 181 -1.1 10 33
215 A 456 LEU L T T 3 TS+ 0 0 -59.4 136.0 177.7 1.8 72.7 104.0 0 0.0 0 0.0 0 0.0 0 0.0 9 29
216 A 457 GLY G T T 3 TS+ 0 0 67.3 13.0 -178.8 104.1 100.1 56.4 0 0.0 0 0.0 0 0.0 0 0.0 9 29
217 A 458 GLU E t < T + 0 0 -109.1 13.1 178.7 115.6 46.1 75.9 214 -1.5 0 0.0 0 0.0 0 0.0 9 37
218 A 459 GLY G S S S- 0 0 -73.0 172.6 179.2 -86.4 76.7 101.4 181 -2.7 0 0.0 0 0.0 0 0.0 15 51
219 A 460 ALA A B B C > T - 222 0 -75.2 160.5 -179.8 -111.5 37.0 112.0 222 -1.9 222 -1.2 0 0.0 0 0.0 10 56
220 A 461 PHE F T T 3 TS+ 0 0 -64.3 -21.1 -178.5 44.2 120.0 37.5 0 0.0 187 -2.6 0 0.0 0 0.0 10 50
221 A 462 TYR Y T T 3 TS- 0 0 -102.9 0.3 179.1 -23.3 126.8 67.6 0 0.0 246 -0.5 0 0.0 0 0.0 12 59
222 A 463 GLY G B B C < TS- 219 0 165.0 160.6 -180.0 -71.0 71.6 148.0 219 -1.2 219 -1.9 0 0.0 0 0.0 15 60
223 A 464 PRO P e - 0 0 -69.3 158.9 -177.0 -147.0 45.2 104.5 0 0.0 244 -1.4 0 0.0 0 0.0 17 59
224 A 465 LYS K E E BGI - 180 243 -135.7 138.9 172.9 -147.2 15.7 169.8 180 -2.0 180 -3.3 0 0.0 0 0.0 15 60
225 A 466 ILE I E E BGI - 179 242 -94.5 133.5 179.3 -157.3 29.2 150.4 242 -3.0 242 -1.8 0 0.0 0 0.0 12 69
226 A 467 GLU E E E BGI - 178 241 -117.8 130.9 176.7 -155.3 13.9 164.6 178 -3.1 178 -2.3 0 0.0 228 -0.8 14 58
227 A 468 PHE F E E BGI - 177 240 -105.2 105.8 -176.2 -156.9 23.5 155.6 240 -3.0 239 -2.3 0 0.0 240 -0.6 12 60
228 A 469 THR T E E BGI - 176 238 -91.5 127.8 177.8 -173.7 12.6 136.6 176 -3.1 176 -2.0 226 -0.8 0 0.0 13 51
229 A 470 LEU L E E B I - 0 237 -114.1 159.4 -176.6 -132.5 17.1 142.8 237 -2.4 237 -2.5 0 0.0 0 0.0 12 50
230 A 471 TYR Y E E B I - 0 236 -120.9 147.6 179.5 -143.8 6.8 152.1 0 0.0 0 0.0 0 0.0 0 0.0 12 43
231 A 472 ASP D e > T - 0 0 -92.3 -172.2 -177.9 -78.2 47.5 101.9 235 -1.8 234 -2.0 0 0.0 0 0.0 11 41
232 A 473 CYS C T T 3 TS+ 0 0 -65.1 -14.9 178.2 50.3 132.4 49.5 0 0.0 0 0.0 0 0.0 0 0.0 9 35
233 A 474 LEU L T T 3 TS- 0 0 -104.8 14.5 179.6 -110.4 119.8 78.9 0 0.0 0 0.0 0 0.0 0 0.0 5 25
234 A 475 ASP D t < T + 0 0 62.3 28.7 177.7 157.0 64.7 40.5 231 -2.0 0 0.0 0 0.0 0 0.0 6 24
235 A 476 ARG R e - 0 0 -84.0 140.0 -178.5 -116.4 42.8 131.2 0 0.0 231 -1.8 0 0.0 0 0.0 7 31
236 A 477 ALA A E E BI - 230 0 -82.8 134.2 178.7 -176.7 30.8 126.9 0 0.0 0 0.0 0 0.0 0 0.0 8 36
237 A 478 TRP W E E BI - 229 0 -133.7 123.0 179.1 -129.7 25.8 170.6 229 -2.5 229 -2.4 0 0.0 0 0.0 9 50
238 A 479 GLN Q E E BI + 228 0 -71.1 120.8 179.1 152.9 43.2 125.2 0 0.0 0 0.0 0 0.0 0 0.0 10 55
239 A 480 CYS C E E B* + 0 0 -113.4 -91.0 178.5 35.0 54.2 55.3 227 -2.3 0 0.0 0 0.0 0 0.0 15 56
240 A 481 GLY G E E BI + 227 0 -65.6 152.0 179.6 176.5 69.9 107.0 227 -0.6 227 -3.0 0 0.0 0 0.0 13 65
241 A 482 THR T E E BIJ - 226 272 -157.6 143.9 178.1 -163.2 21.9 168.6 272 -2.5 272 -1.8 0 0.0 0 0.0 14 67
242 A 483 VAL V E E BIJ - 225 271 -130.7 126.4 -176.6 -174.9 18.0 176.0 225 -1.8 225 -3.0 0 0.0 0 0.0 14 71
243 A 484 GLN Q E E BIJ - 224 270 -128.8 143.9 -177.4 -142.6 18.1 163.3 270 -3.2 270 -2.7 0 0.0 245 -0.6 11 72
244 A 485 LEU L E E B J - 0 269 -111.8 120.8 -173.9 -171.0 19.4 156.2 223 -1.4 246 -0.5 0 0.0 0 0.0 13 71
245 A 486 ASP D E E B J + 0 268 -120.2 115.8 178.0 161.0 25.6 158.1 268 -2.9 268 -2.2 243 -0.6 0 0.0 13 67
246 A 487 PHE F S S S+ 0 0 -110.7 14.0 -177.5 54.6 78.1 80.5 244 -0.5 0 0.0 221 -0.5 0 0.0 13 58
247 A 488 SER S S h > TS+ 0 0 -114.8 -45.8 -177.7 59.4 90.4 37.9 0 0.0 251 -2.1 0 0.0 0 0.0 10 54
248 A 489 LEU L H H > TS+ 0 0 -57.4 -48.2 -179.6 55.8 100.5 24.2 0 0.0 252 -2.0 0 0.0 0 0.0 11 57
249 A 490 PRO P H H 4 >TS+ 0 0 -51.1 -49.6 -179.6 43.8 111.8 20.9 0 0.0 254 -3.0 0 0.0 0 0.0 14 52
250 A 491 SER S H H 4 >5TS+ 0 0 -63.3 -42.7 179.9 54.2 111.1 25.5 0 0.0 253 -1.6 0 0.0 0 0.0 10 42
251 A 492 ARG R H H < 35TS+ 0 0 -62.5 -28.8 -179.7 43.2 113.4 36.2 247 -2.1 0 0.0 0 0.0 0 0.0 9 40
252 A 493 LEU L T h < 35TS- 0 0 -103.9 18.4 178.4 -112.5 116.1 81.3 248 -2.0 0 0.0 0 0.0 0 0.0 11 42
253 A 494 SER S T T <5T + 0 0 57.0 38.5 178.6 165.4 55.6 34.8 250 -1.6 0 0.0 0 0.0 0 0.0 7 37
254 A 495 ALA A t T - 0 0 -78.2 173.2 179.3 -99.4 27.6 101.0 262 -2.9 261 -2.0 256 -0.6 0 0.0 10 27
259 A 500 GLU E T T 3 TS+ 0 0 -58.5 -36.4 179.7 56.0 127.2 30.8 0 0.0 0 0.0 0 0.0 0 0.0 6 22
260 A 501 ASP D T T 3 TS- 0 0 -78.5 8.5 179.9 -114.4 120.8 70.9 0 0.0 0 0.0 0 0.0 0 0.0 5 15
261 A 502 ASN N S t < TS+ 0 0 65.9 19.8 178.5 127.7 76.8 47.3 258 -2.0 0 0.0 0 0.0 0 0.0 6 16
262 A 503 GLU E e - 0 0 -105.6 153.5 -179.9 -97.9 69.2 140.2 0 0.0 258 -2.9 0 0.0 0 0.0 7 18
263 A 504 ARG R E E DK - 257 0 -72.0 127.2 -179.8 -176.9 46.3 122.5 0 0.0 0 0.0 0 0.0 0 0.0 8 26
264 A 505 LYS K E E DK - 256 0 -124.3 155.4 178.7 -127.3 24.8 152.2 256 -2.9 256 -2.2 0 0.0 0 0.0 8 38
265 A 506 VAL V - 0 0 -103.1 125.5 -179.8 -127.9 30.3 153.2 0 0.0 0 0.0 0 0.0 0 0.0 9 44
266 A 507 PRO P - 0 0 -73.3 153.3 175.9 -125.6 12.7 111.3 0 0.0 0 0.0 0 0.0 0 0.0 12 54
267 A 508 VAL V E E BF - 147 0 -88.0 150.7 178.6 -143.9 26.2 130.5 147 -3.1 147 -2.3 0 0.0 0 0.0 13 64
268 A 509 MET M E E BFJ - 146 245 -125.6 130.0 177.2 -162.8 10.9 168.8 245 -2.2 245 -2.9 0 0.0 270 -0.5 13 72
269 A 510 ILE I E E BFJ - 145 244 -107.1 127.2 178.0 -157.1 11.0 159.5 145 -2.4 145 -2.6 0 0.0 0 0.0 14 69
270 A 511 HIS H E E BFJ + 144 243 -100.9 137.4 174.1 165.1 21.3 149.2 243 -2.7 243 -3.2 268 -0.5 0 0.0 14 70
271 A 512 ARG R E E BFJ - 143 242 -157.2 147.6 175.6 -177.2 26.0 169.0 143 -2.1 143 -0.9 0 0.0 0 0.0 12 70
272 A 513 ALA A E E BFJ - 142 241 -132.9 136.7 -179.0 -167.5 8.9 169.8 241 -1.8 241 -2.5 0 0.0 0 0.0 14 69
273 A 514 ILE I E E B* S+ 0 0 -93.0 -56.5 178.0 24.0 91.4 24.7 141 -0.9 0 0.0 0 0.0 0 0.0 12 69
274 A 515 LEU L E E B* S- 0 0 -75.0 -30.6 -178.5 -141.4 99.5 32.4 0 0.0 276 -0.8 0 0.0 0 0.0 11 67
275 A 516 GLY G E E B* - 0 0 107.1 -92.9 173.2 -4.4 69.2 146.9 0 0.0 141 -0.9 0 0.0 0 0.0 14 63
276 A 517 SER S E E >BF T - 140 0 -129.3 149.1 -179.6 -128.3 65.6 166.1 274 -0.8 280 -2.6 0 0.0 0 0.0 12 64
277 A 518 MET M H H > TS+ 0 0 -62.5 -39.6 179.6 53.2 110.1 24.1 139 -2.8 281 -2.5 0 0.0 0 0.0 13 62
278 A 519 GLU E H H > TS+ 0 0 -59.6 -56.0 -178.8 39.8 112.9 15.7 0 0.0 282 -2.1 0 0.0 0 0.0 11 63
279 A 520 ARG R H H > TS+ 0 0 -63.8 -40.0 -178.8 52.3 115.6 25.6 0 0.0 283 -2.4 0 0.0 0 0.0 12 63
280 A 521 PHE F H H X TS+ 0 0 -64.7 -40.8 179.5 48.8 109.3 24.1 276 -2.6 284 -2.8 0 0.0 0 0.0 12 71
281 A 522 ILE I H H X TS+ 0 0 -66.0 -36.0 177.7 54.5 109.2 27.2 277 -2.5 285 -2.7 0 0.0 0 0.0 11 75
282 A 523 GLY G H H X TS+ 0 0 -60.5 -45.1 179.9 45.5 110.7 20.6 278 -2.1 286 -1.7 0 0.0 0 0.0 12 67
283 A 524 ILE I H H X TS+ 0 0 -64.3 -45.5 179.6 48.2 113.8 21.9 279 -2.4 287 -2.8 0 0.0 0 0.0 13 60
284 A 525 LEU L H H X TS+ 0 0 -62.0 -41.3 -179.0 56.5 107.4 26.2 280 -2.8 288 -2.6 0 0.0 0 0.0 9 66
285 A 526 THR T H H X >TS+ 0 0 -59.0 -41.9 179.4 38.4 114.3 24.8 281 -2.7 290 -1.4 0 0.0 289 -0.6 15 59
286 A 527 GLU E H H < 5TS+ 0 0 -77.2 -37.9 179.2 56.6 112.7 27.4 282 -1.7 0 0.0 0 0.0 0 0.0 13 45
287 A 528 GLU E H H < 5TS+ 0 0 -57.9 -45.3 -178.7 29.9 120.4 23.2 283 -2.8 0 0.0 0 0.0 0 0.0 9 46
288 A 529 PHE F H H < >5TS- 0 0 -94.0 -3.8 -178.2 -129.7 100.9 61.4 284 -2.6 291 -2.2 0 0.0 0 0.0 8 51
289 A 530 ALA A T h < 35TS- 0 0 55.3 36.2 179.4 -50.5 78.1 30.0 285 -0.6 0 0.0 0 0.0 0 0.0 11 43
290 A 531 GLY G T T 3 > T - 0 0 -53.6 151.2 -176.4 -103.0 43.0 103.1 0 0.0 296 -2.0 0 0.0 297 -1.5 12 56
294 A 535 THR T T T 4 3 TS+ 0 0 -50.1 -41.0 -179.8 59.5 119.9 33.0 0 0.0 0 0.0 0 0.0 0 0.0 13 57
295 A 536 TRP W T T 4 3 TS+ 0 0 -60.7 -25.9 -179.7 36.7 115.1 37.7 0 0.0 0 0.0 0 0.0 0 0.0 12 56
296 A 537 LEU L T T 4 < TS+ 0 0 -99.0 -16.6 -177.8 119.0 87.4 53.3 293 -2.0 0 0.0 0 0.0 0 0.0 10 61
297 A 538 ALA A t < T - 0 0 -57.1 126.1 179.6 -141.1 61.7 106.8 293 -1.5 0 0.0 0 0.0 0 0.0 12 65
298 A 539 PRO P S S S+ 0 0 -52.8 -47.1 178.2 23.4 98.2 23.3 0 0.0 300 -0.5 0 0.0 0 0.0 10 54
299 A 540 VAL V S S S- 0 0 -122.6 115.2 -177.6 -177.5 71.1 169.0 0 0.0 0 0.0 0 0.0 0 0.0 11 55
300 A 541 GLN Q e + 0 0 -83.2 -32.1 -178.2 19.9 68.1 34.5 327 -1.7 351 -1.9 298 -0.5 0 0.0 13 68
301 A 542 VAL V E E Elm - 351 328 -143.5 137.0 174.5 -166.1 55.5 178.0 327 -1.9 329 -2.1 0 0.0 0 0.0 13 67
302 A 543 VAL V E E Elm - 352 329 -121.4 130.4 179.3 -158.9 11.3 172.0 351 -2.1 353 -2.8 0 0.0 304 -0.5 14 59
303 A 544 ILE I E E Elm - 353 330 -109.0 128.0 -178.1 -171.4 15.8 160.5 329 -2.6 331 -2.9 0 0.0 0 0.0 15 68
304 A 545 MET M E E Elm - 354 331 -126.9 147.2 178.7 -148.6 14.4 159.1 353 -2.7 355 -2.6 302 -0.5 0 0.0 13 57
305 A 546 ASN N E E El - 355 0 -99.2 173.7 178.1 -145.7 10.7 118.8 331 -1.5 0 0.0 0 0.0 0 0.0 15 47
306 A 547 ILE I S e S+ 0 0 -103.7 -49.2 178.3 2.7 85.1 40.4 355 -0.7 0 0.0 0 0.0 0 0.0 14 36
307 A 548 THR T S g > TS- 0 0 -132.0 163.7 -179.7 -95.6 87.2 150.8 0 0.0 310 -2.4 0 0.0 0 0.0 9 30
308 A 549 ASP D G G > TS+ 0 0 -57.9 -6.6 179.7 85.5 112.9 52.7 0 0.0 311 -1.0 0 0.0 0 0.0 8 27
309 A 550 SER S G G 3 TS+ 0 0 -66.3 -25.1 -179.9 38.9 94.3 40.8 0 0.0 0 0.0 0 0.0 0 0.0 8 27
310 A 551 GLN Q G h > < TS+ 0 0 -107.1 7.0 -179.1 101.5 87.1 71.7 307 -2.4 314 -2.7 0 0.0 0 0.0 13 36
311 A 552 SER S H H > < TS+ 0 0 -57.8 -48.5 179.9 50.3 80.0 24.0 308 -1.0 315 -2.9 0 0.0 0 0.0 10 36
312 A 553 GLU E H H > TS+ 0 0 -56.6 -45.9 179.6 47.3 113.5 21.2 0 0.0 316 -2.1 0 0.0 0 0.0 7 31
313 A 554 TYR Y H H > TS+ 0 0 -60.5 -48.3 -179.8 49.4 112.0 22.1 0 0.0 317 -2.4 0 0.0 0 0.0 8 39
314 A 555 VAL V H H X TS+ 0 0 -59.3 -43.4 179.7 51.0 110.3 24.7 310 -2.7 318 -2.5 0 0.0 0 0.0 14 45
315 A 556 ASN N H H X TS+ 0 0 -62.3 -39.3 179.6 50.1 110.0 27.8 311 -2.9 319 -1.9 0 0.0 0 0.0 9 39
316 A 557 GLU E H H X TS+ 0 0 -65.8 -42.7 179.6 46.5 112.4 25.7 312 -2.1 320 -2.1 0 0.0 0 0.0 8 38
317 A 558 LEU L H H X TS+ 0 0 -67.3 -38.2 -180.0 54.0 109.9 28.9 313 -2.4 321 -2.8 0 0.0 0 0.0 9 50
318 A 559 THR T H H X TS+ 0 0 -64.1 -39.7 179.4 47.0 110.0 26.2 314 -2.5 322 -2.1 0 0.0 0 0.0 12 43
319 A 560 GLN Q H H X TS+ 0 0 -68.2 -39.6 179.9 51.5 112.2 24.4 315 -1.9 323 -2.6 0 0.0 0 0.0 8 30
320 A 561 LYS K H H X TS+ 0 0 -63.2 -46.9 179.1 43.8 112.2 22.7 316 -2.1 324 -1.3 0 0.0 0 0.0 8 35
321 A 562 LEU L H H < >TS+ 0 0 -66.3 -36.4 179.7 53.8 112.8 28.1 317 -2.8 326 -2.4 0 0.0 0 0.0 12 40
322 A 563 SER S H H < >5TS+ 0 0 -62.8 -44.8 179.8 49.4 107.6 22.3 318 -2.1 325 -1.9 0 0.0 0 0.0 10 31
323 A 564 ASN N H H < 35TS+ 0 0 -65.5 -25.6 178.9 60.1 104.7 38.2 319 -2.6 0 0.0 0 0.0 0 0.0 7 23
324 A 565 ALA A T h < 35TS- 0 0 -81.8 4.5 178.5 -106.7 124.0 68.2 320 -1.3 0 0.0 0 0.0 0 0.0 7 29
325 A 566 GLY G T T <5TS+ 0 0 84.7 8.8 -179.5 138.0 74.1 56.3 322 -1.9 0 0.0 0 0.0 0 0.0 6 34
326 A 567 ILE I t > T - 0 0 -57.0 137.8 -179.2 -126.5 35.9 107.2 0 0.0 340 -2.1 0 0.0 339 -0.8 7 21
337 A 578 ILE I H H > 3 TS+ 0 0 -57.1 -34.2 179.3 57.9 110.7 32.4 0 0.0 341 -2.6 0 0.0 0 0.0 7 37
338 A 579 GLY G H H > 3 TS+ 0 0 -64.4 -35.1 179.3 47.8 107.3 29.4 0 0.0 342 -1.9 0 0.0 0 0.0 6 34
339 A 580 PHE F H H > < TS+ 0 0 -71.8 -38.8 179.3 51.7 110.5 29.1 336 -0.8 343 -2.6 0 0.0 0 0.0 8 27
340 A 581 LYS K H H X TS+ 0 0 -63.4 -46.3 179.7 46.5 111.2 20.6 336 -2.1 344 -2.4 0 0.0 0 0.0 11 40
341 A 582 ILE I H H X TS+ 0 0 -62.8 -40.4 179.4 52.0 112.1 24.3 337 -2.6 345 -1.6 0 0.0 0 0.0 9 44
342 A 583 ARG R H H X TS+ 0 0 -61.0 -47.0 -178.4 48.3 110.5 20.0 338 -1.9 346 -2.1 0 0.0 0 0.0 8 33
343 A 584 GLU E H H X TS+ 0 0 -62.5 -47.1 -178.8 45.2 112.6 23.2 339 -2.6 347 -1.5 0 0.0 0 0.0 8 41
344 A 585 HIS H H H < >TS+ 0 0 -71.9 -20.9 176.9 55.7 110.2 39.8 340 -2.4 349 -2.6 0 0.0 0 0.0 12 50
345 A 586 THR T H H < >5TS+ 0 0 -74.1 -39.2 177.7 52.2 105.0 26.4 341 -1.6 348 -1.7 0 0.0 0 0.0 12 46
346 A 587 LEU L H H < 35TS+ 0 0 -60.8 -33.7 -180.0 51.1 109.2 30.2 342 -2.1 0 0.0 0 0.0 0 0.0 9 40
347 A 588 ARG R T h < 35TS- 0 0 -82.5 -0.9 177.8 -125.9 113.6 65.1 343 -1.5 0 0.0 0 0.0 0 0.0 8 50
348 A 589 ARG R T T <5T + 0 0 60.7 34.9 178.1 174.7 41.9 34.6 345 -1.7 0 0.0 0 0.0 0 0.0 11 56
349 A 590 VAL V t T - 0 0 -106.3 -170.6 -179.6 -78.6 61.8 112.8 354 -0.6 360 -1.9 0 0.0 0 0.0 10 44
357 A 598 ASP D H H > TS+ 0 0 -60.7 -39.4 179.7 54.9 129.5 28.0 0 0.0 361 -2.0 0 0.0 0 0.0 8 28
358 A 599 LYS K H H > TS+ 0 0 -60.5 -43.8 179.5 48.9 107.9 23.0 0 0.0 362 -2.5 0 0.0 0 0.0 7 28
359 A 600 GLU E H H > >TS+ 0 0 -61.9 -42.1 -179.8 53.4 108.9 25.8 0 0.0 363 -2.6 0 0.0 364 -1.0 11 38
360 A 601 VAL V H H < 5TS+ 0 0 -60.5 -39.8 -179.3 41.9 114.1 27.6 356 -1.9 0 0.0 0 0.0 0 0.0 12 34
361 A 602 GLU E H H < 5TS+ 0 0 -77.1 -34.9 -179.3 43.9 118.9 32.1 357 -2.0 0 0.0 0 0.0 0 0.0 7 25
362 A 603 SER S H H < 5TS- 0 0 -81.5 -25.0 -178.8 -129.4 101.7 41.8 358 -2.5 0 0.0 0 0.0 0 0.0 6 24
363 A 604 GLY G T h < 5TS+ 0 0 81.9 17.0 179.7 108.6 73.4 47.8 359 -2.6 380 -0.7 0 0.0 0 0.0 8 35
364 A 605 LYS K E E E O T - 351 0 -122.9 164.1 179.7 -112.1 27.7 146.2 373 -1.9 372 -2.0 0 0.0 0 0.0 13 50
370 A 611 ARG R T e 3 TS+ 0 0 -67.6 -6.9 178.7 66.6 115.4 58.1 350 -1.5 0 0.0 0 0.0 0 0.0 12 46
371 A 612 ARG R T T 3 TS- 0 0 -95.4 7.7 178.8 -105.3 122.6 73.1 0 0.0 0 0.0 0 0.0 0 0.0 5 36
372 A 613 GLY G S t < TS+ 0 0 83.6 6.3 -178.3 146.6 72.2 60.6 369 -2.0 0 0.0 0 0.0 0 0.0 6 33
373 A 614 LYS K e - 0 0 -84.7 143.0 179.3 -142.5 44.0 121.9 0 0.0 369 -1.9 0 0.0 375 -0.7 7 29
374 A 615 ASP D E E EO + 368 0 -101.2 112.6 -179.8 178.8 17.5 154.4 0 0.0 0 0.0 0 0.0 0 0.0 7 29
375 A 616 LEU L E E E* - 0 0 -94.7 3.0 178.9 -137.5 37.9 68.0 367 -2.7 0 0.0 373 -0.7 0 0.0 10 32
376 A 617 GLY G E E EO - 367 0 73.5 -170.1 179.8 -23.2 44.9 97.7 367 -0.7 367 -2.7 0 0.0 0 0.0 7 28
377 A 618 SER S E E EO + 366 0 -79.3 137.4 -180.0 177.7 66.5 125.0 0 0.0 0 0.0 0 0.0 0 0.0 8 34
378 A 619 MET M E E EO - 365 0 -137.8 158.0 178.3 -100.7 34.3 161.4 365 -2.5 365 -1.8 0 0.0 0 0.0 11 36
379 A 620 ASP D E E >EO T - 364 0 -76.3 143.0 -179.2 -126.1 33.0 123.8 0 0.0 383 -2.2 0 0.0 0 0.0 9 32
380 A 621 VAL V H H > TS+ 0 0 -57.2 -47.1 -179.7 47.8 109.8 23.5 363 -0.7 384 -2.3 0 0.0 0 0.0 9 46
381 A 622 ASN N H H > TS+ 0 0 -65.0 -30.9 179.1 55.1 109.3 33.0 0 0.0 385 -2.4 0 0.0 0 0.0 6 31
382 A 623 GLU E H H > TS+ 0 0 -65.7 -46.3 179.3 48.0 108.3 21.1 0 0.0 386 -2.4 0 0.0 0 0.0 8 29
383 A 624 VAL V H H X TS+ 0 0 -59.9 -44.2 -179.9 51.4 111.5 24.2 379 -2.2 387 -2.5 0 0.0 0 0.0 9 50
384 A 625 ILE I H H X TS+ 0 0 -60.6 -46.8 -180.0 46.2 111.0 23.1 380 -2.3 388 -2.5 0 0.0 0 0.0 10 45
385 A 626 GLU E H H X TS+ 0 0 -63.7 -44.1 -179.7 48.6 113.7 23.2 381 -2.4 389 -1.9 0 0.0 0 0.0 8 31
386 A 627 LYS K H H X TS+ 0 0 -64.1 -40.8 179.7 46.8 113.3 25.7 382 -2.4 390 -2.1 0 0.0 0 0.0 9 39
387 A 628 LEU L H H X TS+ 0 0 -68.8 -40.3 179.6 52.9 110.0 24.8 383 -2.5 391 -2.6 0 0.0 0 0.0 9 51
388 A 629 GLN Q H H X TS+ 0 0 -62.4 -35.7 179.2 47.7 111.1 28.6 384 -2.5 392 -3.0 0 0.0 0 0.0 9 38
389 A 630 GLN Q H H X TS+ 0 0 -70.9 -39.5 179.7 50.2 111.0 26.8 385 -1.9 393 -2.0 0 0.0 0 0.0 8 28
390 A 631 GLU E H H < >TS+ 0 0 -64.2 -38.8 -179.7 43.2 116.5 27.2 386 -2.1 395 -1.9 0 0.0 0 0.0 13 35
391 A 632 ILE I H H < >5TS+ 0 0 -72.1 -51.0 -179.8 49.4 112.7 19.3 387 -2.6 394 -1.3 0 0.0 0 0.0 10 43
392 A 633 ARG R H H < 35TS+ 0 0 -58.1 -37.4 -179.3 45.3 114.8 31.4 388 -3.0 0 0.0 0 0.0 0 0.0 8 30
393 A 634 SER S T h < 35TS- 0 0 -85.7 -2.7 -178.6 -133.2 102.8 61.8 389 -2.0 0 0.0 0 0.0 0 0.0 6 30
394 A 635 ARG R T T <5T - 0 0 48.9 43.7 -179.1 -168.9 37.9 26.8 391 -1.3 0 0.0 0 0.0 0 0.0 10 40
395 A 636 SER S t T - 0 0 -91.0 178.5 -179.9 -54.3 52.3 107.4 0 0.0 401 -1.5 0 0.0 0 0.0 10 42
399 A 640 LEU L T T 3 TS- 0 0 -57.0 137.0 179.3 -1.2 121.3 104.3 0 0.0 0 0.0 0 0.0 0 0.0 5 41
400 A 641 GLU E T T 3 T 0 0 53.6 28.7 179.9 999.9 999.9 42.9 0 0.0 0 0.0 0 0.0 0 0.0 4 27
401 A 642 GLU E t < T 0 0 -147.4 999.9 999.9 999.9 999.9 67.6 398 -1.5 0 0.0 0 0.0 0 0.0 4 23
1evlA.pdb
1EVL LIGASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHTT EE TTSTT EE HHHHHHHHHHHHHHHHHHHHTT EE SEEEHHHHHHTTHHHHSGGG EEEETTEEEEE S SHHHHHHHH Kabs/Sand
chirality -+++++++-+-----++-++-----++++++++++++++++++++-+--+----+---++++++-+++++++++--+----+-----++-+++++++++ chirality
bends SSSSSSSS SSSSS SSSSSSSSSSSSSSSSSSSSS S SSSSSSSSSSSSSSSS SSS S SSSSSSSSS bends
turns TTTTTTTTTTT TTTTTTT TTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT TTTT TTTTTTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >33< >33X33< >33< >33< >33< >>3<< >33< >3 3-turns
bridge-2 DDDD bridge-2
bridge-1 AA AA bb CCC DDDD CCC bridge-1
sheets AA AA BB CCC CCCC CCCCC sheets
4-turns >>>>X<<<< >>>>XXXXXXXXXXXXXX<<<< >>>><<<<>>44>>>XX<<< 4-turns
summary hHHHHHHHhTeEE tTTtTTt EEhHHHHHHHHHHHHHHHHHHHHhTtEEe eEEEHHHHHHhhHHHHhGGGgeEEEETTEEEEEeS hHHHHHHHH summary
sequence RDHRKIGKQLDLYHMQEEAPGMVFWHNDGWTIFRELEVFVRSKLKEYQYQEVKGPFMMDRVLWEKTGHWDNYKDAMFTTSSENREYCIKPMNCPGHVQIF sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand TSS BGGG SEEEEEEEEEE GGG BTTTB SEEEEEEEEEEE GGGHHHHHHHHHHHHHHHHHTTT S EEEEE SS S HHHHHHHHHHH Kabs/Sand
chirality ++----++++----+-----+----++++--+++-++---++---+--+++++++++++++++++++++---++---------++-+--+++++++++++ chirality
bends SSS SSS S SSS SSSS SS SSSSSSSSSSSSSSSSSSSSSS S SS S SSSSSSSSSSS bends
turns TT TTTTT TTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns 3< >>3<< >>3<<>33< >>3<< >>><<< 3-turns
bridge-2 EEEEEEEEEE F*FFFFFF hhh bridge-2
bridge-1 a bb B B EEEEEEEEEE GGGGG bridge-1
sheets BBBBBBBBBB BBBBBBBBBBB BBBBB sheets
4-turns < >444<>444< >44>X>>XXXXXXXXXXX<<<< >>>>XXXXXXXX 4-turns
summary htS BGGGgSEEEEEEEEEEe gGGGgBTTTB eEEEEEEEEEEEgGGhHHHHHHHHHHHHHHHHHhTTtS EEEEEe SS ShHHHHHHHHHHH summary
sequence NQGLKSYRDLPLRMAEFGSCHRNEPSGSLHGLMRVRGFTQDDAHIFCTEEQIRDEVNGCIRLVYDMYSTFGFEKIVVKLSTRPEKRIGSDEMWDRAEADL sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHTT EEETT SBTTB EEEEEEE TT EEEEEEEEEESSHHHHTT EE TTS EE EEEEEEEEEEHHHHHHHHHHHHTT TTT SS Kabs/Sand
chirality ++++++-+-+----+++--+-----------+-+---+++----+++++++-++----+-+--------+--+---+++++++++++--+---+++-+-+ chirality
bends SSSSSSS SS S SSS SS SSSSSSS SSS SS SSSSSSSSSSSSSS SSS SS bends
turns TTTTTTTTT TTTT TTTT TTTT TTTTTTTT TTTT TTTTTTTTTTTTTTTT TTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >33< >33< >33< >33< >33< >33< >33< >33< 3-turns
bridge-2 IIIIIII JJJJJ a JJJJJ bridge-2
bridge-1 hhh C C GGGGG III*IIII KK KK FFFFFF***F bridge-1
sheets BBB BBBBBBB BBBBBBBBBB DD DD BBBBBBBBBB sheets
4-turns XXX<<<< >>44<< >>>>XXXXXX<<<< >444< 4-turns
summary HHHHHHhTt EEETTtSBTTBeEEEEEEEeTTteEEEEEEEEEEShHHHHhTt EEeTTteEE EEEEEEEEEEHHHHHHHHHHHHhTt tTTTtSSe summary
sequence AVALEENNIPFEYQLGEGAFYGPKIEFTLYDCLDRAWQCGTVQLDFSLPSRLSASYVGEDNERKVPVMIHRAILGSMERFIGILTEEFAGFFPTWLAPVQ sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand EEEEESSGGGHHHHHHHHHHHHHTT EEEE SS HHHHHHHHHHTT SEEEEE HHHHHHTEEEEEETTS EEEEEEHHHHHHHHHHHHHTT SS TT Kabs/Sand
chirality -----+-++++++++++++++++-+-+---++-+--++++++++++-+-+----+-+++++-+---+--+-+-+--+--+++++++++++++---+--- chirality
bends SSSSSSSSSSSSSSSSSSSS SS SSSSSSSSSSS S SSSSSSS SSS SSSSSSSSSSSSSS SS S bends
turns TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTT TTTTTTTTT TTTT TTTTTTTTTTTTTTTTT TTT turns
5-turns >5555< >5555< >5555< >5555< 5-turns
3-turns >>3<< >33< >33< >33< >33< >33< >33 3-turns
bridge-2 mmmm NNNN OOOOO bridge-2
bridge-1 lllll mmmm lllll NNNN O*OOOO bridge-1
sheets EEEEE EEEE EEEEE EEEEEE EEEEEE sheets
4-turns >>>>XXXXXXX<<<< >>>>XXXX<<<< >>>><<<< >>>>XXXXXXX<<<< 4-turns
summary EEEEEegGGhHHHHHHHHHHHHHhTteEEEE SShHHHHHHHHHHhTteEEEEEhHHHHHHhEEEEEEeTteEEEEEEHHHHHHHHHHHHHhTtSStTT summary
sequence VVIMNITDSQSEYVNELTQKLSNAGIRVKADLRNEKIGFKIREHTLRRVPYMLVCGDKEVESGKVAVRTRRGKDLGSMDVNEVIEKLQQEIRSRSLKQLE sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand Kabs/Sand
chirality chirality
bends bends
turns T turns
5-turns 5-turns
3-turns < 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns 4-turns
summary t summary
sequence E sequence