Secondary structure calculation program - copyright by David Keith Smith, 1989
1qb0A.pdb
1QB0 HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 178
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 374 ASP D 0 0 999.9 144.2 -178.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 14
2 A 375 HIS H + 0 0 -89.3 6.8 179.0 73.4 999.9 68.9 0 0.0 0 0.0 0 0.0 0 0.0 3 14
3 A 376 ARG R S S S- 0 0 -112.9 179.9 176.6 -89.9 88.4 126.2 0 0.0 0 0.0 0 0.0 0 0.0 6 24
4 A 377 GLU E - 0 0 -75.6 174.5 177.9 -88.5 55.6 106.1 0 0.0 13 -0.6 0 0.0 0 0.0 6 24
5 A 378 LEU L B B A - 12 0 -76.8 165.7 174.9 -88.0 48.8 108.5 0 0.0 0 0.0 0 0.0 0 0.0 10 29
6 A 379 ILE I t > T - 0 0 -70.1 172.0 -166.8 -78.1 58.6 97.4 11 -2.9 9 -2.9 0 0.0 0 0.0 11 39
7 A 380 GLY G T T 3 TS+ 0 0 -51.4 -28.1 177.9 43.2 131.8 53.8 130 -2.4 0 0.0 0 0.0 0 0.0 11 39
8 A 381 ASP D T T 3 TS- 0 0 -101.9 10.7 179.0 -122.8 108.2 77.0 0 0.0 0 0.0 0 0.0 0 0.0 10 30
9 A 382 TYR Y S t < TS+ 0 0 53.3 31.4 -179.3 126.4 75.0 43.7 6 -2.9 0 0.0 0 0.0 0 0.0 8 24
10 A 383 SER S S S S- 0 0 -85.2 -36.2 -177.1 -26.1 73.9 32.5 0 0.0 0 0.0 0 0.0 0 0.0 7 27
11 A 384 LYS K S S S- 0 0 -166.2 177.1 -179.3 -65.7 77.6 160.7 0 0.0 6 -2.9 0 0.0 0 0.0 6 29
12 A 385 ALA A B B A - 5 0 -73.6 156.6 173.6 -90.8 59.0 107.9 0 0.0 0 0.0 0 0.0 0 0.0 10 29
13 A 386 PHE F - 0 0 -63.0 140.5 -178.7 -145.1 35.6 116.7 4 -0.6 0 0.0 0 0.0 0 0.0 9 40
14 A 387 LEU L + 0 0 -79.2 -35.7 -167.9 65.5 69.9 31.5 0 0.0 0 0.0 0 0.0 0 0.0 4 48
15 A 388 LEU L S S S- 0 0 -98.8 155.8 174.2 -110.3 83.6 128.5 0 0.0 0 0.0 0 0.0 0 0.0 6 48
16 A 389 GLN Q - 0 0 -69.9 142.7 -178.3 -154.5 40.8 119.2 0 0.0 0 0.0 0 0.0 0 0.0 6 36
17 A 390 THR T - 0 0 -122.7 162.1 179.4 -149.1 8.0 147.5 0 0.0 0 0.0 0 0.0 0 0.0 8 41
18 A 391 VAL V B B B - 27 0 -124.9 161.6 -178.6 -82.4 37.3 144.5 27 -2.0 27 -0.7 0 0.0 0 0.0 9 32
19 A 392 ASP D + 0 0 -65.5 138.6 176.2 174.0 52.2 115.3 0 0.0 0 0.0 0 0.0 0 0.0 7 26
20 A 393 GLY G - 0 0 -138.1 171.1 -175.7 -92.9 45.0 152.0 0 0.0 0 0.0 0 0.0 0 0.0 9 33
21 A 394 LYS K S S S+ 0 0 -57.2 -42.2 178.9 62.1 112.9 34.6 0 0.0 23 -1.0 0 0.0 0 0.0 5 29
22 A 395 HIS H S t > TS- 0 0 -89.5 101.1 -170.2 -161.2 76.7 145.0 0 0.0 25 -1.9 0 0.0 0 0.0 6 31
23 A 396 GLN Q T T 3 TS+ 0 0 -62.2 -22.2 176.3 54.3 84.8 46.5 21 -1.0 0 0.0 0 0.0 0 0.0 7 24
24 A 397 ASP D T T 3 TS+ 0 0 -90.4 1.2 -179.4 80.2 97.1 69.8 0 0.0 0 0.0 0 0.0 0 0.0 4 28
25 A 398 LEU L S t < TS- 0 0 -108.0 162.9 -174.7 -118.6 80.7 131.3 22 -1.9 27 -0.5 0 0.0 0 0.0 8 46
26 A 399 LYS K e - 0 0 -107.4 121.9 -177.6 -169.7 29.2 156.2 0 0.0 134 -2.6 0 0.0 0 0.0 12 50
27 A 400 TYR Y E E AaB - 134 18 -110.3 147.1 175.5 -158.7 4.4 150.2 18 -0.7 18 -2.0 25 -0.5 0 0.0 12 52
28 A 401 ILE I E E Aa - 135 0 -118.4 159.0 179.8 -120.1 17.7 147.1 134 -2.5 136 -2.6 0 0.0 0 0.0 14 51
29 A 402 SER S h > T - 0 0 -89.4 166.9 173.8 -104.3 31.2 117.2 0 0.0 33 -2.0 0 0.0 0 0.0 11 44
30 A 403 PRO P H H > TS+ 0 0 -55.6 -37.0 -176.9 56.9 122.4 28.9 0 0.0 34 -2.3 0 0.0 0 0.0 12 48
31 A 404 GLU E H H > TS+ 0 0 -66.1 -36.1 180.0 48.0 106.3 23.7 0 0.0 35 -1.8 0 0.0 0 0.0 6 37
32 A 405 THR T H H > TS+ 0 0 -70.2 -33.7 178.3 54.8 108.8 28.9 0 0.0 36 -1.8 0 0.0 0 0.0 10 46
33 A 406 MET M H H X TS+ 0 0 -65.6 -40.2 175.5 48.9 108.4 24.0 29 -2.0 37 -2.3 0 0.0 0 0.0 10 59
34 A 407 VAL V H H X TS+ 0 0 -66.4 -32.7 178.8 59.3 104.6 29.6 30 -2.3 38 -2.1 0 0.0 0 0.0 9 45
35 A 408 ALA A H H < >TS+ 0 0 -64.2 -37.3 174.1 45.1 108.5 21.7 31 -1.8 40 -2.3 0 0.0 41 -0.5 10 38
36 A 409 LEU L H H < >5TS+ 0 0 -67.2 -45.9 -176.0 49.9 113.3 18.2 32 -1.8 39 -1.5 0 0.0 0 0.0 11 48
37 A 410 LEU L H H < 35TS+ 0 0 -66.0 -23.2 179.3 50.1 110.9 42.6 33 -2.3 0 0.0 0 0.0 0 0.0 7 43
38 A 411 THR T T h < 35TS- 0 0 -93.1 2.1 -179.8 -111.7 115.4 67.1 34 -2.1 0 0.0 0 0.0 0 0.0 6 28
39 A 412 GLY G T T X5T + 0 0 78.3 19.9 178.6 147.7 65.7 43.1 36 -1.5 42 -2.0 0 0.0 0 0.0 7 27
40 A 413 LYS K T T 3 > TS+ 0 0 -114.4 28.7 -175.2 128.5 80.8 88.1 35 -0.5 45 -3.5 0 0.0 44 -1.7 8 27
42 A 415 SER S T T 4 < T + 0 0 -61.2 -23.6 177.9 62.9 65.2 43.1 39 -2.0 0 0.0 0 0.0 0 0.0 8 27
43 A 416 ASN N T T 4 3 TS+ 0 0 -70.4 -24.0 -177.1 21.0 121.8 33.6 0 0.0 0 0.0 0 0.0 0 0.0 6 24
44 A 417 ILE I T e 4 < TS+ 0 0 -110.3 -39.3 -176.8 70.3 111.1 39.5 41 -1.7 93 -2.7 0 0.0 46 -0.8 8 29
45 A 418 VAL V E E > T - 0 0 -74.2 154.8 -175.7 -101.4 45.5 108.0 0 0.0 59 -1.9 0 0.0 58 -1.0 11 52
56 A 429 PRO P H H > 3 TS+ 0 0 -49.8 -41.2 179.6 54.2 119.3 32.1 0 0.0 60 -2.7 0 0.0 0 0.0 8 47
57 A 430 TYR Y H H > 3 TS+ 0 0 -65.6 -29.9 178.3 51.0 108.5 28.4 0 0.0 61 -1.3 0 0.0 0 0.0 9 39
58 A 431 GLU E H H 4 < TS+ 0 0 -68.3 -46.5 179.6 47.0 111.5 17.6 55 -1.0 0 0.0 0 0.0 0 0.0 13 53
59 A 432 TYR Y H H < > TS+ 0 0 -60.0 -42.3 -178.0 51.4 111.1 24.8 55 -1.9 62 -1.6 0 0.0 0 0.0 12 51
60 A 433 GLU E H H < 3 TS+ 0 0 -69.1 -23.1 179.6 61.7 102.1 35.7 56 -2.7 0 0.0 0 0.0 0 0.0 8 39
61 A 434 GLY G T h < 3 TS- 0 0 -78.0 -3.3 -176.5 -39.8 132.6 62.8 57 -1.3 0 0.0 0 0.0 0 0.0 10 40
62 A 435 GLY G t < T + 0 0 140.9 116.8 179.7 173.3 67.1 96.2 59 -1.6 0 0.0 0 0.0 0 0.0 13 44
63 A 436 HIS H E E BD - 151 0 -139.9 170.7 -177.8 -82.1 42.5 149.2 151 -1.6 151 -3.0 0 0.0 0 0.0 15 56
64 A 437 ILE I E E BD > T - 150 0 -79.9 138.2 -178.9 -92.9 60.5 125.7 0 0.0 67 -2.1 0 0.0 0 0.0 9 60
65 A 438 LYS K T e 3 TS+ 0 0 -54.1 135.7 -178.5 13.1 109.2 108.1 149 -2.7 0 0.0 0 0.0 0 0.0 7 41
66 A 439 THR T T T 3 TS+ 0 0 81.9 -10.4 -175.5 139.1 92.3 78.4 0 0.0 0 0.0 0 0.0 0 0.0 6 37
67 A 440 ALA A t < T - 0 0 -68.6 151.6 176.7 -140.2 45.3 111.5 64 -2.1 0 0.0 0 0.0 0 0.0 10 50
68 A 441 VAL V E E Ac - 51 0 -107.8 136.4 -176.4 -130.6 12.9 150.4 50 -2.4 52 -2.6 0 0.0 70 -0.8 8 45
69 A 442 ASN N E E Ac + 52 0 -94.4 112.5 -179.8 155.2 39.4 143.1 0 0.0 0 0.0 0 0.0 0 0.0 11 46
70 A 443 LEU L e + 0 0 -134.7 71.2 -177.5 153.2 4.0 127.8 52 -2.0 0 0.0 68 -0.8 0 0.0 11 48
71 A 444 PRO P + 0 0 -73.1 -25.8 -178.6 71.6 57.2 41.6 0 0.0 0 0.0 0 0.0 0 0.0 11 55
72 A 445 LEU L S h > > TS- 0 0 -95.6 138.4 -179.8 -134.5 79.2 144.2 0 0.0 76 -2.4 0 0.0 75 -0.6 10 45
73 A 446 GLU E H H > 3 TS+ 0 0 -52.1 -46.9 -177.6 55.7 104.6 29.3 0 0.0 77 -3.4 0 0.0 0 0.0 11 45
74 A 447 ARG R H H > 3 TS+ 0 0 -59.1 -34.6 -179.9 44.4 110.7 32.1 0 0.0 78 -2.1 0 0.0 0 0.0 6 34
75 A 448 ASP D H H > < TS+ 0 0 -81.3 -36.4 176.4 49.9 112.5 25.2 72 -0.6 79 -2.6 0 0.0 0 0.0 9 31
76 A 449 ALA A H H X TS+ 0 0 -64.4 -42.9 178.0 49.4 113.3 20.4 72 -2.4 80 -2.4 0 0.0 0 0.0 11 50
77 A 450 GLU E H H X >TS+ 0 0 -60.8 -49.2 179.7 44.1 113.4 18.7 73 -3.4 81 -3.1 0 0.0 82 -0.7 11 41
78 A 451 SER S H H X >TS+ 0 0 -60.9 -47.3 -177.1 46.3 116.2 18.7 74 -2.1 82 -1.4 0 0.0 83 -0.6 9 28
79 A 452 PHE F H H < 5TS+ 0 0 -62.5 -43.5 -175.2 31.5 124.7 27.3 75 -2.6 0 0.0 0 0.0 0 0.0 9 36
80 A 453 LEU L H H < >TS+ 0 0 -85.9 -34.4 -172.3 26.0 131.1 37.4 76 -2.4 85 -0.6 0 0.0 0 0.0 9 51
81 A 454 LEU L H H < 5TS+ 0 0 -113.3 -13.2 -179.9 76.4 97.5 56.5 77 -3.1 0 0.0 0 0.0 0 0.0 10 37
82 A 455 LYS K T h < TS- 0 0 -141.1 133.6 179.6 -140.9 75.2 170.2 0 0.0 92 -1.8 0 0.0 0 0.0 6 17
90 A 463 LEU L T T 3 TS+ 0 0 -70.0 -9.9 179.8 63.8 104.1 50.7 0 0.0 0 0.0 0 0.0 0 0.0 6 21
91 A 464 ASP D T T 3 TS+ 0 0 -82.6 -15.3 -171.3 73.4 98.4 50.4 0 0.0 0 0.0 0 0.0 0 0.0 5 20
92 A 465 LYS K S t < TS- 0 0 -103.7 164.3 -175.4 -129.5 72.9 125.8 89 -1.8 0 0.0 0 0.0 0 0.0 11 32
93 A 466 ARG R E E Ab - 45 0 -112.5 159.3 165.7 -149.9 2.3 141.9 44 -2.7 46 -2.0 0 0.0 47 -1.6 10 44
94 A 467 VAL V E E Ab - 47 0 -116.9 134.5 -177.7 -171.5 24.3 159.5 0 0.0 0 0.0 0 0.0 0 0.0 13 49
95 A 468 ILE I E E Ab - 48 0 -129.4 140.5 172.4 -148.7 12.4 172.4 47 -1.8 49 -1.9 0 0.0 0 0.0 13 67
96 A 469 LEU L E E Abe - 49 132 -106.9 139.2 174.3 -167.0 7.1 156.3 131 -2.0 133 -2.7 0 0.0 0 0.0 12 65
97 A 470 ILE I E E Abe - 50 133 -121.0 121.5 179.6 -166.4 8.7 173.4 49 -2.5 51 -3.4 0 0.0 0 0.0 12 75
98 A 471 PHE F E E Abe + 51 134 -108.1 150.5 174.2 156.3 16.2 151.6 133 -3.1 135 -2.4 0 0.0 0 0.0 17 71
99 A 472 HIS H E E Ab - 52 0 -159.7 161.3 171.5 -179.1 17.1 170.6 51 -1.9 53 -2.8 0 0.0 0 0.0 19 69
100 A 473 CYS C - 0 0 -135.2 -138.9 -177.8 -59.4 61.2 109.4 0 0.0 139 -2.5 0 0.0 0 0.0 14 62
101 A 474 GLU E S S S+ 0 0 -78.6 -49.0 -180.0 2.5 134.4 13.6 0 0.0 140 -2.3 0 0.0 0 0.0 12 53
102 A 475 PHE F S S S- 0 0 -110.4 -2.6 -174.8 -126.7 92.6 70.8 0 0.0 137 -0.6 0 0.0 0 0.0 12 45
103 A 476 SER S S S S+ 0 0 55.5 32.3 -179.8 113.4 81.2 33.2 0 0.0 0 0.0 0 0.0 0 0.0 16 53
104 A 477 SER S S S S- 0 0 -97.5 -51.0 -174.3 -6.0 86.4 31.4 0 0.0 0 0.0 0 0.0 0 0.0 11 41
105 A 478 GLU E S h > TS+ 0 0 -112.9 -58.2 -173.4 43.9 129.1 33.8 0 0.0 109 -1.9 0 0.0 0 0.0 8 39
106 A 479 ARG R H H > TS+ 0 0 -62.0 -50.2 -178.9 48.1 113.8 21.5 0 0.0 110 -2.0 0 0.0 0 0.0 11 52
107 A 480 GLY G H H > TS+ 0 0 -57.9 -56.3 -180.0 45.6 113.4 20.3 0 0.0 111 -2.4 0 0.0 0 0.0 14 54
108 A 481 PRO P H H > TS+ 0 0 -56.8 -41.2 178.0 52.1 111.9 26.1 0 0.0 112 -2.5 0 0.0 0 0.0 13 49
109 A 482 ARG R H H X TS+ 0 0 -63.8 -40.8 -177.5 46.5 110.6 24.2 105 -1.9 113 -2.2 0 0.0 0 0.0 8 50
110 A 483 MET M H H X TS+ 0 0 -69.8 -38.3 178.7 54.0 110.6 25.3 106 -2.0 114 -2.8 0 0.0 0 0.0 11 55
111 A 484 CYS C H H X TS+ 0 0 -59.2 -48.9 178.6 45.3 111.1 15.7 107 -2.4 115 -2.4 0 0.0 0 0.0 12 61
112 A 485 ARG R H H X TS+ 0 0 -61.2 -40.1 178.5 52.8 111.6 26.3 108 -2.5 116 -2.4 0 0.0 0 0.0 8 47
113 A 486 PHE F H H X TS+ 0 0 -62.1 -46.5 -180.0 48.4 109.0 20.1 109 -2.2 117 -2.5 0 0.0 0 0.0 9 45
114 A 487 ILE I H H X TS+ 0 0 -64.1 -37.4 177.7 51.9 110.8 21.8 110 -2.8 118 -2.6 0 0.0 0 0.0 10 53
115 A 488 ARG R H H X TS+ 0 0 -63.2 -39.8 177.9 51.7 108.6 22.0 111 -2.4 119 -2.7 0 0.0 0 0.0 9 47
116 A 489 GLU E H H X TS+ 0 0 -59.5 -46.7 -178.1 43.2 113.2 19.2 112 -2.4 120 -2.5 0 0.0 0 0.0 8 34
117 A 490 ARG R H H X TS+ 0 0 -67.9 -35.2 -178.8 54.4 111.8 26.1 113 -2.5 121 -2.2 0 0.0 0 0.0 9 35
118 A 491 ASP D H H < TS+ 0 0 -63.6 -43.4 176.6 46.4 110.6 19.6 114 -2.6 0 0.0 0 0.0 0 0.0 12 41
119 A 492 ARG R H H < > TS+ 0 0 -62.0 -45.0 -179.3 55.5 110.2 20.0 115 -2.7 122 -1.3 0 0.0 0 0.0 12 29
120 A 493 ALA A H H < 3 TS+ 0 0 -58.1 -38.9 -176.9 43.8 109.7 29.4 116 -2.5 0 0.0 0 0.0 0 0.0 7 25
121 A 494 VAL V T h < 3 TS+ 0 0 -91.6 3.4 -179.1 62.9 109.2 61.1 117 -2.2 0 0.0 0 0.0 0 0.0 6 25
122 A 495 ASN N S t < TS- 0 0 -120.2 169.5 172.3 -107.3 85.7 145.5 119 -1.3 124 -0.6 0 0.0 0 0.0 9 23
123 A 496 ASP D S t > TS- 0 0 -91.9 119.5 -177.1 -69.5 71.5 149.4 0 0.0 126 -1.8 0 0.0 0 0.0 7 18
124 A 497 TYR Y T T 3 TS+ 0 0 -51.6 140.0 0.0 15.3 116.1 102.8 122 -0.6 0 0.0 0 0.0 0 0.0 7 20
125 A 498 PRO P T T 3 TS+ 0 0 -99.5 17.1 -178.3 99.0 99.7 160.7 0 0.0 0 0.0 0 0.0 0 0.0 9 23
126 A 499 SER S t < T + 0 0 -59.2 148.6 177.1 177.6 46.2 103.7 123 -1.8 0 0.0 0 0.0 0 0.0 10 29
127 A 500 LEU L - 0 0 -149.9 152.5 173.4 -139.8 38.5 174.0 0 0.0 0 0.0 0 0.0 0 0.0 11 42
128 A 501 TYR Y S S S+ 0 0 -76.5 -32.4 -178.2 29.1 108.8 31.8 0 0.0 0 0.0 0 0.0 0 0.0 9 50
129 A 502 TYR Y + 0 0 -130.0 75.5 179.5 158.3 66.7 130.3 0 0.0 0 0.0 0 0.0 0 0.0 11 62
130 A 503 PRO P + 0 0 -67.4 -20.2 -170.6 58.0 68.3 51.0 0 0.0 7 -2.4 0 0.0 132 -0.6 10 55
131 A 504 GLU E e + 0 0 -123.7 106.9 -177.8 153.1 63.8 156.5 0 0.0 96 -2.0 0 0.0 0 0.0 10 59
132 A 505 MET M E E A e - 0 96 -135.0 138.3 -179.1 -174.4 15.4 177.0 130 -0.6 0 0.0 0 0.0 0 0.0 11 67
133 A 506 TYR Y E E A e - 0 97 -126.0 167.0 172.4 -129.2 21.4 152.8 96 -2.7 98 -3.1 0 0.0 0 0.0 13 68
134 A 507 ILE I E E Aae - 27 98 -110.4 138.5 175.1 -122.3 27.5 155.0 26 -2.6 28 -2.5 0 0.0 136 -0.9 15 66
135 A 508 LEU L E E Aa > T - 28 0 -83.7 112.4 -175.9 -123.9 34.6 135.4 98 -2.4 138 -1.9 0 0.0 0 0.0 14 64
136 A 509 LYS K T e 3 TS+ 0 0 -59.3 127.3 177.8 8.6 90.7 108.6 28 -2.6 0 0.0 134 -0.9 0 0.0 14 54
137 A 510 GLY G T h > 3 TS- 0 0 85.3 -11.6 174.7 -133.0 102.6 75.8 102 -0.6 141 -1.2 0 0.0 0 0.0 12 47
138 A 511 GLY G H H > X T - 0 0 63.2 -163.5 -177.8 -35.2 53.8 95.3 135 -1.9 142 -1.7 0 0.0 141 -0.6 13 65
139 A 512 TYR Y H H > 3 TS+ 0 0 -64.4 -34.1 176.9 67.6 132.9 26.6 100 -2.5 143 -2.7 0 0.0 0 0.0 14 65
140 A 513 LYS K H H 4 3 TS+ 0 0 -52.8 -40.6 176.3 31.6 111.5 29.1 101 -2.3 0 0.0 0 0.0 0 0.0 11 46
141 A 514 GLU E H H < < TS+ 0 0 -92.3 -16.2 178.3 57.3 117.3 48.0 137 -1.2 0 0.0 138 -0.6 0 0.0 11 43
142 A 515 PHE F H H X > TS+ 0 0 -79.1 -44.9 -179.2 57.0 99.1 18.3 138 -1.7 146 -2.5 0 0.0 145 -1.3 11 52
143 A 516 PHE F T h < 3 TS+ 0 0 -52.7 -47.7 178.7 50.6 104.6 24.5 139 -2.7 0 0.0 0 0.0 0 0.0 13 43
144 A 517 PRO P T T 4 3 TS+ 0 0 -65.6 -19.0 178.4 43.0 116.3 42.1 0 0.0 0 0.0 0 0.0 0 0.0 7 32
145 A 518 GLN Q T T 4 < TS+ 0 0 -89.9 -42.3 -172.7 15.6 131.3 32.1 142 -1.3 0 0.0 0 0.0 0 0.0 7 32
146 A 519 HIS H g < > T + 0 0 -133.8 61.6 -177.0 158.5 62.8 115.3 142 -2.5 149 -2.6 0 0.0 0 0.0 9 34
147 A 520 PRO P G G > TS+ 0 0 -59.9 -28.2 179.6 61.5 75.8 33.7 0 0.0 150 -1.6 0 0.0 0 0.0 10 29
148 A 521 ASN N G G 3 TS+ 0 0 -76.2 -3.3 175.4 60.8 97.0 52.0 0 0.0 0 0.0 0 0.0 0 0.0 6 28
149 A 522 PHE F G e < TS+ 0 0 -101.0 17.1 -178.3 79.2 98.2 73.9 146 -2.6 65 -2.7 0 0.0 0 0.0 9 36
150 A 523 CYS C E E BD < TS- 64 0 -123.2 153.1 -179.8 -127.3 74.1 152.1 147 -1.6 0 0.0 0 0.0 0 0.0 13 40
151 A 524 GLU E E E BD S+ 63 0 -148.7 124.8 -10.7 18.6 95.8 166.2 63 -3.0 63 -1.6 0 0.0 0 0.0 10 33
152 A 525 PRO P S S S- 0 0 -67.5 164.7 -178.8 -122.7 97.6 39.4 0 0.0 154 -2.3 0 0.0 0 0.0 8 27
153 A 526 GLN Q S S S+ 0 0 -77.3 72.0 176.7 81.7 77.8 116.8 0 0.0 0 0.0 0 0.0 0 0.0 10 28
154 A 527 ASP D - 0 0 -158.4 179.2 -178.4 -123.4 68.0 155.3 152 -2.3 0 0.0 0 0.0 0 0.0 10 31
155 A 528 TYR Y - 0 0 -136.7 120.4 175.6 -173.0 14.4 169.4 0 0.0 0 0.0 0 0.0 0 0.0 11 42
156 A 529 ARG R - 0 0 -116.4 108.4 179.9 -142.0 22.4 156.7 0 0.0 0 0.0 0 0.0 0 0.0 10 40
157 A 530 PRO P t > T - 0 0 -65.5 157.4 180.0 -117.9 19.2 103.0 0 0.0 160 -1.6 0 0.0 0 0.0 8 42
158 A 531 MET M T T 3 TS+ 0 0 -60.2 -41.7 -177.2 49.7 116.6 23.2 0 0.0 0 0.0 0 0.0 0 0.0 10 42
159 A 532 ASN N T T 3 TS+ 0 0 -85.4 20.4 -179.7 152.3 79.6 77.1 0 0.0 0 0.0 0 0.0 0 0.0 6 28
160 A 533 HIS H g X T - 0 0 -57.3 129.7 -176.5 -128.0 50.2 104.9 157 -1.6 163 -2.2 0 0.0 0 0.0 8 25
161 A 534 GLU E G G > TS+ 0 0 -49.6 -37.1 -177.7 50.8 103.0 44.7 0 0.0 164 -0.6 0 0.0 0 0.0 5 16
162 A 535 ALA A G G 3 TS+ 0 0 -88.0 5.0 -175.9 56.6 105.7 69.1 0 0.0 0 0.0 0 0.0 0 0.0 4 18
163 A 536 PHE F G h > < T + 0 0 -126.4 27.3 179.2 116.8 61.6 82.0 160 -2.2 167 -2.0 0 0.0 0 0.0 10 24
164 A 537 LYS K H H > < TS+ 0 0 -62.2 -33.7 -176.6 48.7 81.3 31.2 161 -0.6 168 -1.6 0 0.0 0 0.0 9 20
165 A 538 ASP D H H > TS+ 0 0 -73.6 -39.1 179.0 52.5 109.2 26.9 0 0.0 169 -2.4 0 0.0 0 0.0 6 20
166 A 539 GLU E H H > TS+ 0 0 -62.0 -34.1 177.6 55.2 106.6 32.0 0 0.0 170 -1.9 0 0.0 0 0.0 8 27
167 A 540 LEU L H H X TS+ 0 0 -63.9 -47.7 -176.8 43.0 111.0 24.4 163 -2.0 171 -2.0 0 0.0 0 0.0 10 32
168 A 541 LYS K H H X TS+ 0 0 -67.2 -40.2 -177.9 54.7 111.0 27.2 164 -1.6 172 -1.7 0 0.0 0 0.0 8 25
169 A 542 THR T H H < TS+ 0 0 -59.5 -41.9 178.8 46.1 111.5 26.0 165 -2.4 0 0.0 0 0.0 0 0.0 8 24
170 A 543 PHE F H H < > TS+ 0 0 -66.5 -47.3 -177.8 56.0 107.2 22.8 166 -1.9 173 -2.2 0 0.0 0 0.0 9 32
171 A 544 ARG R H H < > TS+ 0 0 -54.7 -35.2 -178.6 62.4 98.6 33.2 167 -2.0 174 -1.5 0 0.0 0 0.0 7 28
172 A 545 LEU L T h < 3 TS+ 0 0 -72.9 0.7 175.4 58.5 98.5 60.6 168 -1.7 0 0.0 0 0.0 0 0.0 6 19
173 A 546 LYS K T T < TS+ 0 0 -100.6 -7.5 -176.7 106.2 83.8 60.8 170 -2.2 0 0.0 0 0.0 0 0.0 7 23
174 A 547 THR T S t < TS- 0 0 -74.8 156.6 -179.5 -125.0 75.5 106.6 171 -1.5 0 0.0 0 0.0 0 0.0 9 27
175 A 548 ARG R S S S+ 0 0 -71.3 -25.6 -177.7 0.3 86.8 35.0 0 0.0 0 0.0 0 0.0 0 0.0 6 21
176 A 549 SER S 0 0 -161.9 151.9 177.4 999.9 999.9 169.7 0 0.0 0 0.0 0 0.0 0 0.0 3 17
177 A 550 TRP W 0 0 -128.3 -2.1 999.9 999.9 999.9 73.8 0 0.0 0 0.0 0 0.0 0 0.0 3 16
178 A 551 ALA A 0 0 999.9 999.9 999.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 -1 -1
1qb0A.pdb
1QB0 HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand S B TTSSSB S B SSTTS EE HHHHHHHHTTTTTTTEEEEEEEE S HHHHHT EETT EE SHHHHHHHHHTTT SSTTSEEEEEEE Kabs/Sand
chirality +----+-+----+----+-+-++-----++++++++-++++++++------+--+++++-+--++--+++-++++++++++--+--+-++------+-- chirality
bends S SSSSS S SSSSS SSSSSSSSS SS SS S SSSSSS SS SSSSSSSSSSSS SSSSS bends
turns TTTT TTTT TTTTTTTTTTTTTTTTT TTTTTTTT TTTT TTTTTTTTTTTTTT TTTT turns
5-turns >5555< >>5>5<<5< 5-turns
3-turns >33< >33< >33X3><3< >33<>33< >33< >33< >33< 3-turns
bridge-2 B cc eee bridge-2
bridge-1 A A B aa b*bbbbbb DD cc bbbbbbb bridge-1
sheets AA AAAAAAAA BB AA AAAAAAA sheets
4-turns >>>>XX<<<< >444< >>>4<<< >>>>XXX<<<< 4-turns
summary S BtTTtSSB S B StTTteEEhHHHHHHHHhTTTTTeEEEEEEEEeShHHHHHhtEEeTtEEe hHHHHHHHHHhTTt StTTtEEEEEEE summary
sequence DHRELIGDYSKAFLLQTVDGKHQDLKYISPETMVALLTGKFSNIVDKFVIVDCRYPYEYEGGHIKTAVNLPLERDAESFLLKSPIAPCSLDKRVILIFHC sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand SSSSSHHHHHHHHHHHHHHHTSSTT S EEEETTHHHHHTTT GGGEESS TT GGGHHHHHHHHTTSS Kabs/Sand
chirality +-+-+++++++++++++++++--+++-++++----+--+++++++++++-+-+----++-+++++++++++++-+ chirality
bends SSSSSSSSSSSSSSSSSSSSSSSSS S SS SSSSSSS SSSSSSS SS SS SSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33<>33< >33X33<>33<>>3<< >33X>3<< >>3<< 3-turns
bridge-2 eee bridge-2
bridge-1 aa DD bridge-1
sheets AAAA BB sheets
4-turns >>>>XXXXXXXXX<<<< >>>4>>>XX<<<< 4-turns
summary SSSShHHHHHHHHHHHHHHHhttTTt S eEEEEehHHHHHhTTgGGeEESS tTTgGGhHHHHHHHHhTtS summary
sequence EFSSERGPRMCRFIRERDRAVNDYPSLYYPEMYILKGGYKEFFPQHPNFCEPQDYRPMNHEAFKDELKTFRLKTRSWA sequence
110 120 130 140 150 160 170