Secondary structure calculation program - copyright by David Keith Smith, 1989
1qhvA.pdb
1QHV VIRUS/VIRAL PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 195
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 388 ALA A 0 0 999.9 149.7 177.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 5
2 A 389 ILE I - 0 0 -131.9 109.5 -178.9 -168.0 999.9 164.0 0 0.0 4 -0.5 0 0.0 0 0.0 3 6
3 A 390 THR T - 0 0 -102.0 124.5 179.5 -172.6 7.5 153.2 0 0.0 0 0.0 0 0.0 0 0.0 5 7
4 A 391 ILE I + 0 0 -114.9 158.1 -177.4 30.0 62.5 140.2 2 -0.5 0 0.0 0 0.0 0 0.0 4 7
5 A 392 GLY G S S S+ 0 0 65.6 37.3 -176.4 138.8 75.4 35.4 0 0.0 0 0.0 0 0.0 0 0.0 4 8
6 A 393 ASN N + 0 0 -113.5 44.9 172.4 92.4 35.2 100.9 0 0.0 0 0.0 0 0.0 0 0.0 5 10
7 A 394 LYS K + 0 0 -130.9 123.7 -179.4 155.0 39.4 172.1 0 0.0 0 0.0 0 0.0 0 0.0 4 17
8 A 395 ASN N - 0 0 -153.8 96.6 -176.8 -153.7 28.1 136.5 0 0.0 10 -0.7 0 0.0 0 0.0 4 23
9 A 396 ASP D g > T - 0 0 -77.8 109.8 -175.3 -153.6 7.3 128.2 0 0.0 12 -2.2 0 0.0 0 0.0 6 25
10 A 397 ASP D G G > TS+ 0 0 -55.3 -32.1 -177.3 59.8 91.1 40.2 8 -0.7 94 -1.4 0 0.0 13 -1.2 8 34
11 A 398 LYS K G G 3 TS+ 0 0 -78.3 -4.6 177.0 64.1 95.2 58.5 0 0.0 0 0.0 0 0.0 0 0.0 7 38
12 A 399 LEU L G e < TS+ 0 0 -101.1 13.6 171.3 72.6 93.6 69.7 9 -2.2 40 -2.7 0 0.0 0 0.0 9 40
13 A 400 THR T E E AA < T - 39 0 -124.9 132.3 174.0 -179.0 53.8 168.1 10 -1.2 94 -0.8 0 0.0 0 0.0 12 47
14 A 401 LEU L E E AAB + 38 93 -126.1 119.0 -170.1 149.7 29.5 176.1 38 -2.5 38 -2.7 0 0.0 0 0.0 13 61
15 A 402 TRP W E E AAB - 37 92 -150.6 166.9 174.4 -120.3 62.2 156.8 92 -2.3 92 -1.9 0 0.0 0 0.0 15 57
16 A 403 THR T S e S- 0 0 -84.8 8.4 -162.2 -91.6 78.8 75.1 36 -1.6 0 0.0 0 0.0 0 0.0 14 56
17 A 404 THR T - 0 0 77.2 156.6 -175.0 -92.8 42.5 86.6 0 0.0 0 0.0 0 0.0 0 0.0 14 43
18 A 405 PRO P S S S+ 0 0 -77.1 -16.8 -177.5 31.9 120.5 47.4 0 0.0 0 0.0 0 0.0 0 0.0 10 37
19 A 406 ASP D S S S- 0 0 -139.2 68.3 -175.5 -172.2 84.5 119.0 0 0.0 0 0.0 0 0.0 0 0.0 6 34
20 A 407 PRO P - 0 0 -69.1 146.3 165.5 -132.7 19.8 100.1 0 0.0 0 0.0 0 0.0 0 0.0 11 40
21 A 408 SER S - 0 0 -75.7 174.5 179.5 -49.3 67.3 113.2 0 0.0 0 0.0 0 0.0 0 0.0 5 33
22 A 409 PRO P S S S+ 0 0 -50.9 124.3 -171.5 150.4 78.4 103.5 0 0.0 0 0.0 0 0.0 0 0.0 10 37
23 A 410 ASN N + 0 0 -146.4 13.6 -172.3 64.5 42.7 74.9 32 -2.2 87 -2.8 0 0.0 0 0.0 12 45
24 A 411 CYS C B B AB - 32 86 -149.1 151.1 177.4 -137.9 59.4 169.3 32 -1.5 32 -1.8 0 0.0 31 -0.6 13 51
25 A 412 ARG R + 0 0 -114.9 122.5 170.6 157.7 26.9 164.6 85 -1.7 0 0.0 0 0.0 0 0.0 12 46
26 A 413 ILE I S S S- 0 0 -98.8 -54.5 178.4 -20.3 93.9 41.6 28 -0.6 0 0.0 0 0.0 0 0.0 12 49
27 A 414 HIS H S S S+ 0 0 -125.0 -33.8 179.5 23.0 136.0 51.0 0 0.0 0 0.0 0 0.0 0 0.0 7 42
28 A 415 SER S S t > TS- 0 0 -136.6 155.5 -176.5 -70.8 99.1 161.3 0 0.0 31 -1.5 0 0.0 26 -0.6 7 32
29 A 416 ASP D T T 3 TS- 0 0 -51.1 132.9 175.0 -5.9 112.4 101.9 0 0.0 0 0.0 0 0.0 0 0.0 7 30
30 A 417 ASN N T T 3 TS+ 0 0 53.5 38.8 179.8 136.4 86.1 36.2 0 0.0 0 0.0 0 0.0 0 0.0 9 33
31 A 418 ASP D e < T + 0 0 -95.0 9.1 -176.7 52.7 61.2 62.8 28 -1.5 54 -2.6 24 -0.6 55 -0.9 14 36
32 A 419 CYS C E E AAC - 24 53 -148.6 140.6 168.1 -144.6 64.0 170.4 24 -1.8 23 -2.2 0 0.0 24 -1.5 14 46
33 A 420 LYS K E E A C - 0 52 -98.4 106.0 -176.9 -168.4 30.2 166.2 52 -2.9 52 -2.0 0 0.0 35 -0.6 14 49
34 A 421 PHE F E E A C - 0 51 -104.8 116.9 179.0 -165.3 5.1 160.4 0 0.0 36 -0.5 0 0.0 0 0.0 14 58
35 A 422 THR T E E A C + 0 50 -105.1 123.2 177.1 163.7 15.9 157.5 50 -3.1 50 -2.4 33 -0.6 0 0.0 14 59
36 A 423 LEU L E E A C - 0 49 -141.9 122.9 178.9 -175.1 12.3 166.1 34 -0.5 16 -1.6 0 0.0 0 0.0 12 63
37 A 424 VAL V E E AAC - 15 48 -121.3 118.9 178.1 -169.7 3.9 173.0 48 -2.4 48 -1.8 0 0.0 0 0.0 13 52
38 A 425 LEU L E E AAC - 14 47 -108.7 122.8 178.5 -172.9 3.1 162.8 14 -2.7 14 -2.5 0 0.0 0 0.0 12 57
39 A 426 THR T E E AAC - 13 46 -120.2 122.3 -177.8 -131.2 21.7 171.4 46 -2.8 46 -3.0 0 0.0 41 -0.5 11 47
40 A 427 LYS K E E A C + 0 45 -78.4 122.0 177.9 175.6 26.1 129.7 12 -2.7 0 0.0 0 0.0 0 0.0 12 41
41 A 428 CYS C E E A C> T - 0 44 -121.6 70.7 -177.7 -84.0 58.4 144.7 44 -3.0 44 -2.1 39 -0.5 0 0.0 8 34
42 A 429 GLY G T T 3 TS+ 0 0 66.2 -119.6 -176.7 1.1 112.7 106.3 0 0.0 0 0.0 0 0.0 0 0.0 6 26
43 A 430 SER S T e 3 TS+ 0 0 -82.9 -0.1 176.1 61.2 130.6 65.5 0 0.0 193 -3.0 0 0.0 0 0.0 9 28
44 A 431 GLN Q E E ACD< TS- 41 192 -123.7 153.1 169.5 -141.5 70.2 158.7 41 -2.1 41 -3.0 0 0.0 0 0.0 10 34
45 A 432 VAL V E E ACD - 40 191 -107.3 126.6 174.3 -150.0 15.9 164.3 191 -2.4 191 -1.7 0 0.0 0 0.0 14 44
46 A 433 LEU L E E ACD - 39 190 -95.4 129.6 -172.7 -173.4 24.8 151.7 39 -3.0 39 -2.8 0 0.0 0 0.0 12 36
47 A 434 ALA A E E ACD - 38 189 -134.0 147.6 172.2 -167.4 24.9 161.1 189 -3.1 189 -2.1 0 0.0 0 0.0 11 45
48 A 435 THR T E E ACD - 37 188 -129.8 134.6 -175.8 -175.4 18.1 174.6 37 -1.8 37 -2.4 0 0.0 0 0.0 12 41
49 A 436 VAL V E E ACD + 36 187 -134.0 143.4 175.2 167.1 10.7 167.7 187 -2.1 187 -1.7 0 0.0 0 0.0 11 57
50 A 437 ALA A E E AC - 35 0 -149.7 150.9 178.8 -160.6 12.6 166.9 35 -2.4 35 -3.1 0 0.0 0 0.0 12 55
51 A 438 ALA A E E AC - 34 0 -136.0 144.2 179.5 -176.3 5.8 172.4 0 0.0 184 -2.5 0 0.0 0 0.0 12 64
52 A 439 LEU L E E ACC - 33 183 -142.1 122.5 175.0 -137.2 20.4 164.1 33 -2.0 33 -2.9 0 0.0 0 0.0 10 51
53 A 440 ALA A E E AC + 32 0 -73.5 140.7 177.5 179.5 19.4 120.1 182 -3.1 0 0.0 0 0.0 0 0.0 12 48
54 A 441 VAL V e + 0 0 -119.4 -3.0 -174.3 54.2 68.2 60.0 31 -2.6 0 0.0 0 0.0 0 0.0 8 35
55 A 442 SER S S S S- 0 0 -118.2 6.1 179.4 -48.3 109.6 71.5 31 -0.9 0 0.0 0 0.0 0 0.0 6 31
56 A 443 GLY G - 0 0 155.5 -173.4 -178.2 -47.4 69.6 152.9 0 0.0 0 0.0 0 0.0 0 0.0 8 30
57 A 444 ASP D t > T - 0 0 -88.6 174.6 -174.8 -93.7 58.1 95.0 0 0.0 61 -0.7 0 0.0 0 0.0 12 32
58 A 445 LEU L T g 4 > TS+ 0 0 -61.0 -37.0 179.3 58.3 121.8 27.1 180 -2.7 61 -1.3 0 0.0 0 0.0 12 44
59 A 446 A SER S G G 4 > TS+ 0 0 -60.6 -31.6 179.9 53.6 104.8 24.2 178 -2.4 62 -0.9 0 0.0 0 0.0 9 32
60 A 447 SER S G G 4 3 TS+ 0 0 -77.7 -12.4 -178.2 38.0 115.4 46.5 0 0.0 0 0.0 0 0.0 0 0.0 6 31
61 A 448 MET M G G < < TS+ 0 0 -123.9 12.2 175.3 67.2 107.5 83.8 58 -1.3 0 0.0 57 -0.7 0 0.0 10 42
62 A 449 THR T g < T - 0 0 -127.7 157.3 177.0 -157.6 57.9 159.8 59 -0.9 0 0.0 0 0.0 0 0.0 11 37
63 A 450 GLY G S S S- 0 0 -95.1 -117.6 179.0 -43.4 71.1 68.9 0 0.0 0 0.0 0 0.0 0 0.0 6 25
64 A 451 THR T S S S+ 0 0 -97.1 0.2 179.0 88.3 117.9 60.4 0 0.0 0 0.0 0 0.0 0 0.0 4 20
65 A 452 VAL V S S S- 0 0 -107.2 131.7 177.4 -137.3 74.5 144.3 0 0.0 67 -1.8 0 0.0 0 0.0 6 25
66 A 453 ALA A S e S+ 0 0 -79.5 65.0 179.7 90.5 71.7 125.2 0 0.0 172 -2.0 0 0.0 0 0.0 12 37
67 A 454 SER S E E BE - 171 0 -158.0 158.1 172.3 -148.4 58.5 167.8 65 -1.8 0 0.0 0 0.0 0 0.0 9 48
68 A 455 VAL V E E BE - 170 0 -127.8 128.0 -179.4 -167.8 21.3 174.0 170 -2.2 170 -2.5 0 0.0 0 0.0 9 61
69 A 456 A SER S E E BE - 169 0 -125.8 132.7 178.6 -173.9 10.6 171.6 0 0.0 0 0.0 0 0.0 0 0.0 9 57
70 A 457 ILE I E E BE - 168 0 -124.6 118.4 -174.2 -169.2 15.4 169.1 168 -2.7 168 -2.9 0 0.0 0 0.0 12 61
71 A 458 PHE F E E BE - 167 0 -121.0 140.1 179.0 -163.6 13.7 160.2 0 0.0 85 -3.0 0 0.0 86 -0.6 12 60
72 A 459 LEU L E E BE - 166 0 -120.8 121.8 178.5 -168.5 8.9 171.3 166 -3.3 166 -2.3 0 0.0 0 0.0 14 64
73 A 460 ARG R E E BE - 165 0 -112.2 139.9 -179.2 -169.2 5.0 161.7 0 0.0 81 -3.2 0 0.0 0 0.0 17 53
74 A 461 PHE F E E BED - 164 80 -129.5 145.1 178.1 -131.5 14.7 161.3 164 -3.0 163 -2.8 0 0.0 164 -1.8 13 54
75 A 462 ASP D t > T - 0 0 -80.5 -172.1 -175.6 -77.4 49.5 93.1 79 -2.4 78 -2.2 0 0.0 0 0.0 12 42
76 A 463 GLN Q T T 3 TS+ 0 0 -65.2 -17.4 177.9 49.8 134.0 46.1 0 0.0 0 0.0 0 0.0 0 0.0 9 37
77 A 464 ASN N T T 3 TS- 0 0 -101.1 7.4 179.2 -106.3 120.7 70.2 0 0.0 107 -2.8 0 0.0 0 0.0 9 32
78 A 465 GLY G S t < TS+ 0 0 79.3 13.5 178.9 148.4 70.2 51.4 75 -2.2 0 0.0 0 0.0 0 0.0 14 50
79 A 466 VAL V - 0 0 -84.1 136.7 -177.6 -104.8 55.4 129.8 0 0.0 75 -2.4 0 0.0 0 0.0 11 47
80 A 467 LEU L B B D - 74 0 -64.7 129.4 -179.4 -140.3 36.7 116.5 0 0.0 0 0.0 0 0.0 0 0.0 10 52
81 A 468 MET M - 0 0 -90.9 159.0 -176.2 -114.3 19.1 117.4 73 -3.2 0 0.0 0 0.0 0 0.0 11 46
82 A 469 GLU E S S S+ 0 0 -64.6 -26.8 -179.5 74.5 106.9 36.2 0 0.0 84 -1.9 0 0.0 0 0.0 7 37
83 A 470 ASN N S S S+ 0 0 -87.7 58.4 177.4 106.1 78.8 110.8 0 0.0 0 0.0 0 0.0 0 0.0 8 38
84 A 471 SER S S S S- 0 0 -132.1 150.6 179.0 -129.8 75.6 160.7 82 -1.9 0 0.0 0 0.0 0 0.0 11 49
85 A 472 SER S S S S+ 0 0 -69.0 -32.7 -177.7 75.5 91.7 37.1 71 -3.0 25 -1.7 0 0.0 0 0.0 10 50
86 A 473 LEU L B B B S- 24 0 -86.3 134.4 174.5 -123.9 84.2 133.2 71 -0.6 0 0.0 0 0.0 0 0.0 11 52
87 A 474 LYS K - 0 0 -72.0 147.5 -175.7 -137.8 14.2 119.0 23 -2.8 0 0.0 0 0.0 0 0.0 10 41
88 A 475 LYS K S t > TS+ 0 0 -81.1 -22.6 -170.0 89.0 80.3 45.5 0 0.0 91 -1.7 0 0.0 0 0.0 7 46
89 A 476 HIS H T T 3 TS+ 0 0 -49.8 -48.7 -176.9 26.7 100.5 30.2 0 0.0 0 0.0 0 0.0 0 0.0 4 40
90 A 477 TYR Y T T 3 TS+ 0 0 -114.0 45.6 173.7 106.2 92.8 105.5 0 0.0 92 -0.5 0 0.0 0 0.0 11 44
91 A 478 TRP W t < T + 0 0 -120.8 98.2 -174.7 97.0 54.4 164.3 88 -1.7 0 0.0 0 0.0 0 0.0 11 56
92 A 479 ASN N E E AB S- 15 0 -164.9 179.5 175.0 -55.9 75.5 164.0 15 -1.9 15 -2.3 90 -0.5 0 0.0 11 52
93 A 480 PHE F E E AB S- 14 0 -69.9 162.2 -171.3 -78.7 71.9 102.5 0 0.0 100 -2.4 0 0.0 0 0.0 14 46
94 A 481 ARG R E E AF + 99 0 -75.1 143.5 167.2 170.1 40.2 109.3 10 -1.4 0 0.0 13 -0.8 0 0.0 14 37
95 A 482 ASN N E E AF > TS- 98 0 -141.5 96.9 -175.6 -60.0 73.9 145.0 98 -2.2 98 -2.5 0 0.0 0 0.0 8 31
96 A 483 GLY G T T 3 TS- 0 0 62.9 -129.6 177.9 -21.9 117.3 111.7 0 0.0 0 0.0 0 0.0 0 0.0 5 28
97 A 484 ASN N T T 3 TS+ 0 0 -95.5 17.6 179.8 53.8 137.4 80.9 0 0.0 0 0.0 0 0.0 0 0.0 7 27
98 A 485 SER S E E AF < TS- 95 0 -129.6 -164.7 176.1 -81.0 93.1 118.2 95 -2.5 95 -2.2 0 0.0 0 0.0 9 33
99 A 486 THR T E E AF - 94 0 -102.3 152.9 172.6 -99.2 46.2 146.2 0 0.0 0 0.0 0 0.0 0 0.0 14 36
100 A 487 ASN N e - 0 0 -65.3 142.5 -177.4 -123.7 32.7 112.8 93 -2.4 0 0.0 0 0.0 0 0.0 9 28
101 A 488 ALA A S S S+ 0 0 -63.7 -22.1 -177.8 74.1 93.6 47.9 0 0.0 0 0.0 0 0.0 0 0.0 4 23
102 A 489 ASN N S S S- 0 0 -100.3 118.2 -178.4 -127.0 85.7 150.0 0 0.0 0 0.0 0 0.0 0 0.0 4 23
103 A 490 PRO P - 0 0 -62.1 140.6 174.1 -111.9 26.1 102.9 0 0.0 0 0.0 0 0.0 0 0.0 7 30
104 A 491 TYR Y - 0 0 -67.1 153.1 176.0 -165.2 21.2 111.5 0 0.0 0 0.0 0 0.0 0 0.0 8 35
105 A 492 THR T S S S+ 0 0 -112.9 -17.2 175.7 32.3 76.4 56.0 0 0.0 0 0.0 0 0.0 0 0.0 7 26
106 A 493 ASN N + 0 0 -144.8 121.6 176.1 154.5 48.9 162.8 0 0.0 0 0.0 0 0.0 0 0.0 7 32
107 A 494 ALA A g > T + 0 0 -131.1 34.6 -179.4 131.1 29.4 96.6 77 -2.8 110 -2.2 0 0.0 0 0.0 10 50
108 A 495 VAL V G G > T + 0 0 -60.5 -25.8 175.3 68.3 67.5 29.7 0 0.0 111 -1.8 0 0.0 194 -0.6 10 47
109 A 496 GLY G G G 3 TS+ 0 0 -66.1 -17.0 175.9 46.6 101.9 49.5 0 0.0 0 0.0 0 0.0 0 0.0 8 44
110 A 497 PHE F G G < TS+ 0 0 -100.8 -2.8 -175.7 105.4 91.8 66.3 107 -2.2 0 0.0 0 0.0 0 0.0 14 58
111 A 498 MET M S g < TS- 0 0 -84.5 149.0 177.1 -99.5 81.0 119.8 108 -1.8 194 -2.5 0 0.0 0 0.0 12 65
112 A 499 PRO P B B E - 193 0 -63.6 132.2 -176.7 -101.1 49.0 117.8 0 0.0 0 0.0 0 0.0 0 0.0 15 61
113 A 500 ASN N t > T - 0 0 -60.6 123.4 -179.1 -150.0 24.2 109.6 192 -2.9 117 -2.6 0 0.0 0 0.0 11 46
114 A 501 LEU L T T 4 TS+ 0 0 -69.3 -26.0 174.8 52.1 95.7 40.5 0 0.0 0 0.0 0 0.0 0 0.0 10 43
115 A 502 LEU L T T 4 TS+ 0 0 -73.5 -41.3 178.6 40.0 116.4 24.9 0 0.0 0 0.0 0 0.0 0 0.0 5 28
116 A 503 ALA A T T 4 TS+ 0 0 -68.1 -43.2 -173.3 23.3 133.9 28.3 0 0.0 0 0.0 0 0.0 0 0.0 9 35
117 A 504 TYR Y S t < TS- 0 0 -129.3 85.0 -174.5 -164.0 86.9 143.1 113 -2.6 0 0.0 0 0.0 0 0.0 12 42
118 A 505 PRO P - 0 0 -69.6 164.0 168.9 -99.1 29.7 100.3 0 0.0 151 -1.2 0 0.0 0 0.0 10 35
119 A 506 LYS K + 0 0 -76.4 127.7 -178.4 140.0 65.6 135.8 0 0.0 0 0.0 0 0.0 0 0.0 9 39
120 A 507 THR T - 0 0 -163.8 158.6 175.8 -133.9 59.5 168.3 0 0.0 0 0.0 0 0.0 0 0.0 9 33
121 A 508 GLN Q S S S+ 0 0 -100.4 4.0 175.2 93.2 84.1 64.1 0 0.0 0 0.0 0 0.0 0 0.0 6 29
122 A 509 SER S S S S- 0 0 -91.3 148.8 178.3 -117.5 86.9 131.9 0 0.0 124 -1.5 0 0.0 0 0.0 6 20
123 A 510 GLN Q - 0 0 -84.4 69.5 -179.9 -171.3 38.2 105.7 0 0.0 0 0.0 0 0.0 0 0.0 8 26
124 A 511 THR T g > T - 0 0 -66.4 125.6 -170.6 -137.1 21.2 100.1 122 -1.5 127 -1.2 0 0.0 0 0.0 7 26
125 A 512 ALA A G G > TS+ 0 0 -58.6 -42.0 -178.3 57.1 98.1 30.3 0 0.0 128 -2.0 0 0.0 0 0.0 5 26
126 A 513 LYS K G G 3 TS+ 0 0 -62.1 -27.1 178.0 64.5 96.6 41.2 0 0.0 0 0.0 0 0.0 0 0.0 7 32
127 A 514 ASN N G e < TS+ 0 0 -69.0 -14.6 -176.2 67.3 100.0 55.6 124 -1.2 149 -2.9 0 0.0 0 0.0 13 42
128 A 515 ASN N E E BG < T - 148 0 -112.0 153.9 170.2 -158.1 60.9 149.5 125 -2.0 0 0.0 0 0.0 0 0.0 10 44
129 A 516 ILE I E E BG - 147 0 -121.2 119.7 -171.2 -171.6 24.1 173.0 147 -2.1 147 -3.0 0 0.0 0 0.0 9 42
130 A 517 VAL V E E BG + 146 0 -129.5 121.4 -176.3 156.3 12.6 169.2 0 0.0 0 0.0 0 0.0 0 0.0 8 33
131 A 518 SER S E E BG - 145 0 -139.2 151.2 169.1 -112.7 42.0 170.0 145 -2.1 145 -3.1 0 0.0 0 0.0 7 34
132 A 519 GLN Q E E BG + 144 0 -82.6 128.7 177.3 172.3 43.0 136.8 0 0.0 0 0.0 0 0.0 0 0.0 8 32
133 A 520 VAL V E E BG - 143 0 -128.1 175.9 -173.6 -117.0 25.7 136.2 143 -2.6 143 -2.8 0 0.0 0 0.0 10 38
134 A 521 TYR Y E E BG > T - 142 0 -130.4 129.2 178.4 -121.8 17.5 168.6 0 0.0 137 -1.9 0 0.0 0 0.0 13 38
135 A 522 LEU L G e > TS- 0 0 -64.9 125.7 -179.0 -7.5 102.4 120.5 141 -3.0 138 -2.3 0 0.0 0 0.0 12 41
136 A 523 HIS H G G 3 TS- 0 0 57.9 22.5 179.6 -72.9 123.0 41.2 183 -2.3 0 0.0 0 0.0 0 0.0 9 32
137 A 524 GLY G G G < TS+ 0 0 66.6 21.6 -177.5 147.3 93.8 53.1 134 -1.9 139 -0.6 0 0.0 0 0.0 9 27
138 A 525 ASP D g X T - 0 0 -97.6 118.9 -178.2 -150.6 45.5 135.9 135 -2.3 141 -2.5 0 0.0 0 0.0 8 22
139 A 526 LYS K T T 3 TS+ 0 0 -57.6 -23.4 -179.3 58.4 97.2 45.0 137 -0.6 0 0.0 0 0.0 0 0.0 6 18
140 A 527 THR T T T 3 TS+ 0 0 -88.1 0.1 -179.2 60.1 100.1 64.7 0 0.0 0 0.0 0 0.0 0 0.0 5 18
141 A 528 A LYS K S e < TS+ 0 0 -127.2 62.3 178.0 175.1 73.6 119.7 138 -2.5 135 -3.0 0 0.0 0 0.0 9 33
142 A 529 PRO P E E BG + 134 0 -66.9 150.3 170.6 178.2 5.3 107.3 0 0.0 0 0.0 0 0.0 0 0.0 11 35
143 A 530 MET M E E BG - 133 0 -137.4 165.7 171.5 -119.9 27.6 159.1 133 -2.8 133 -2.6 0 0.0 145 -0.5 12 45
144 A 531 ILE I E E BGH - 132 171 -108.8 125.2 172.1 -154.5 19.7 160.8 171 -2.8 171 -2.4 0 0.0 146 -0.6 12 43
145 A 532 LEU L E E BGH - 131 170 -96.6 122.0 173.5 -172.8 10.7 157.5 131 -3.1 131 -2.1 143 -0.5 147 -0.5 13 46
146 A 533 THR T E E BGH - 130 169 -114.3 108.2 172.8 -167.0 3.4 171.0 169 -2.8 169 -2.4 144 -0.6 148 -0.5 12 47
147 A 534 ILE I E E BGH - 129 168 -91.7 127.6 176.8 -160.1 7.8 157.3 129 -3.0 129 -2.1 145 -0.5 0 0.0 11 56
148 A 535 THR T E E BGH - 128 167 -110.6 133.7 179.2 -156.9 3.7 166.0 167 -2.2 167 -2.1 146 -0.5 150 -0.5 13 54
149 A 536 LEU L E E B H - 0 166 -110.4 121.3 -174.1 -47.3 64.3 157.7 127 -2.9 0 0.0 0 0.0 0 0.0 14 58
150 A 537 ASN N S e > TS+ 0 0 48.1 -131.9 174.8 86.1 113.3 104.5 165 -3.1 153 -2.4 148 -0.5 0 0.0 17 56
151 A 538 GLY G G G > TS+ 0 0 52.8 -134.2 -178.5 0.3 108.4 96.3 118 -1.2 154 -1.8 0 0.0 0 0.0 16 44
152 A 539 THR T G G 3 TS+ 0 0 -69.0 -4.5 175.7 69.3 125.6 52.7 0 0.0 0 0.0 0 0.0 0 0.0 11 42
153 A 540 SER S G G < TS+ 0 0 -87.4 -8.1 -179.3 106.3 77.9 56.5 150 -2.4 0 0.0 0 0.0 0 0.0 13 52
154 A 541 GLU E S g < TS- 0 0 -70.6 144.2 171.1 -126.6 71.5 115.5 151 -1.8 0 0.0 0 0.0 0 0.0 15 52
155 A 542 A SER S + 0 0 -88.7 138.3 176.7 175.1 27.5 143.3 0 0.0 162 -1.6 0 0.0 0 0.0 10 40
156 A 543 THR T + 0 0 -118.6 3.3 -178.1 136.6 32.9 72.7 0 0.0 0 0.0 0 0.0 0 0.0 7 31
157 A 544 GLU E t > T - 0 0 -57.9 133.8 178.4 -89.1 69.7 104.8 0 0.0 160 -2.6 0 0.0 0 0.0 6 24
158 A 545 THR T T T 3 TS+ 0 0 -44.8 128.7 179.5 4.0 111.0 100.9 0 0.0 0 0.0 0 0.0 0 0.0 5 14
159 A 546 A SER S T T 3 TS+ 0 0 72.8 -1.6 -178.4 70.6 124.3 71.9 0 0.0 0 0.0 0 0.0 0 0.0 4 16
160 A 547 GLU E t < T + 0 0 -139.0 46.9 -179.9 153.5 60.5 104.7 157 -2.6 162 -0.6 0 0.0 0 0.0 9 27
161 A 548 VAL V - 0 0 -82.8 115.3 -179.9 -145.1 33.2 133.1 0 0.0 0 0.0 0 0.0 0 0.0 10 33
162 A 549 SER S - 0 0 -80.2 155.1 174.7 -159.5 15.1 114.5 155 -1.6 0 0.0 160 -0.6 0 0.0 13 44
163 A 550 THR T S S S+ 0 0 -96.2 -42.4 177.2 16.4 82.4 37.6 74 -2.8 0 0.0 0 0.0 0 0.0 11 51
164 A 551 TYR Y E E BE S+ 74 0 -124.2 160.8 179.2 163.7 73.3 150.1 74 -1.8 74 -3.0 0 0.0 0 0.0 15 54
165 A 552 SER S E E BE - 73 0 -168.3 160.1 169.0 -162.2 19.3 170.9 0 0.0 150 -3.1 0 0.0 0 0.0 17 64
166 A 553 MET M E E BEH - 72 149 -149.7 144.6 177.5 -166.1 9.5 167.0 72 -2.3 72 -3.3 0 0.0 0 0.0 14 72
167 A 554 SER S E E BEH - 71 148 -130.6 151.9 177.8 -153.4 11.0 170.6 148 -2.1 148 -2.2 0 0.0 0 0.0 13 62
168 A 555 PHE F E E BEH - 70 147 -123.1 112.4 -176.6 -179.3 18.6 174.0 70 -2.9 70 -2.7 0 0.0 0 0.0 11 63
169 A 556 THR T E E BEH - 69 146 -122.1 118.3 174.4 -167.4 10.6 169.2 146 -2.4 146 -2.8 0 0.0 171 -0.5 12 61
170 A 557 TRP W E E BEH + 68 145 -99.2 128.9 -179.7 179.2 17.2 156.4 68 -2.5 68 -2.2 0 0.0 0 0.0 11 56
171 A 558 SER S E E BEH + 67 144 -131.6 153.9 -178.2 170.3 6.3 155.6 144 -2.4 144 -2.8 169 -0.5 0 0.0 10 44
172 A 559 TRP W e - 0 0 -151.5 177.5 -177.4 -54.9 45.4 154.3 66 -2.0 0 0.0 0 0.0 0 0.0 10 42
173 A 560 GLU E t > T - 0 0 -64.8 131.2 -179.7 -102.8 64.8 114.6 0 0.0 176 -1.9 0 0.0 0 0.0 7 30
174 A 561 SER S T T 3 TS+ 0 0 -55.1 138.5 177.6 23.6 104.4 101.8 0 0.0 0 0.0 0 0.0 0 0.0 6 23
175 A 562 GLY G T T 3 TS+ 0 0 91.0 -11.7 -178.9 112.3 99.1 76.2 0 0.0 0 0.0 0 0.0 0 0.0 6 24
176 A 563 LYS K t < T + 0 0 -95.3 159.2 172.9 15.6 67.1 122.4 173 -1.9 0 0.0 0 0.0 0 0.0 7 32
177 A 564 TYR Y t > T + 0 0 63.7 23.0 -176.7 144.0 67.6 59.1 0 0.0 180 -1.8 0 0.0 0 0.0 7 39
178 A 565 THR T T T 3 TS+ 0 0 -63.4 -30.4 -178.6 40.8 76.2 39.1 0 0.0 59 -2.4 0 0.0 0 0.0 8 32
179 A 566 THR T T T 3 TS+ 0 0 -98.5 3.7 179.7 104.4 95.6 65.0 0 0.0 0 0.0 0 0.0 0 0.0 7 27
180 A 567 GLU E S t < TS- 0 0 -83.3 151.9 171.3 -121.8 72.2 120.6 177 -1.8 58 -2.7 0 0.0 0 0.0 7 38
181 A 568 THR T - 0 0 -85.9 134.1 179.1 -115.3 33.1 140.1 0 0.0 183 -0.6 0 0.0 0 0.0 8 40
182 A 569 PHE F + 0 0 -74.7 117.1 177.9 148.6 53.8 128.3 0 0.0 53 -3.1 0 0.0 0 0.0 11 57
183 A 570 ALA A B B C - 52 0 -153.0 118.9 -176.1 -160.4 25.4 156.3 181 -0.6 136 -2.3 0 0.0 0 0.0 10 51
184 A 571 THR T - 0 0 -102.4 154.0 170.5 -116.2 19.1 134.9 51 -2.5 0 0.0 0 0.0 0 0.0 11 50
185 A 572 ASN N - 0 0 -75.7 153.0 174.3 -85.6 49.1 121.6 0 0.0 0 0.0 0 0.0 0 0.0 11 36
186 A 573 SER S - 0 0 -58.9 138.2 -176.2 -162.1 51.4 109.1 0 0.0 0 0.0 0 0.0 0 0.0 7 37
187 A 574 TYR Y E E AD - 49 0 -135.3 132.0 -177.4 -147.8 7.2 178.3 49 -1.7 49 -2.1 0 0.0 0 0.0 7 41
188 A 575 THR T E E AD + 48 0 -103.1 138.2 174.4 148.9 26.8 146.1 0 0.0 0 0.0 0 0.0 0 0.0 8 33
189 A 576 PHE F E E AD - 47 0 -153.0 169.2 173.9 -151.7 23.7 160.3 47 -2.1 47 -3.1 0 0.0 0 0.0 7 42
190 A 577 SER S E E AD - 46 0 -138.9 163.7 174.5 -172.5 9.4 164.4 0 0.0 0 0.0 0 0.0 0 0.0 8 45
191 A 578 TYR Y E E AD - 45 0 -152.9 158.5 178.7 -91.7 35.2 168.3 45 -1.7 45 -2.4 0 0.0 0 0.0 8 50
192 A 579 ILE I E E AD - 44 0 -72.5 132.4 -177.8 -131.1 45.1 126.2 0 0.0 113 -2.9 0 0.0 0 0.0 10 40
193 A 580 ALA A B e E - 112 0 -87.2 154.6 179.6 -125.9 9.5 121.2 43 -3.0 0 0.0 0 0.0 0 0.0 13 44
194 A 581 GLN Q 0 0 -65.6 -36.0 178.3 999.9 999.9 30.2 111 -2.5 0 0.0 108 -0.6 0 0.0 11 41
195 A 582 GLU E 0 0 -156.3 999.9 999.9 999.9 999.9 156.7 0 0.0 0 0.0 0 0.0 0 0.0 8 28
1qhvA.pdb
1QHV VIRUS/VIRAL PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand S GGGEEES SS S B SSSTT EEEEEEEEEETTEEEEEEEEEE S TGGG SSSSEEEEEEEE TTS B SSSSB STT EEEETTEE Kabs/Sand
chirality --++++--+++-+---+---++-+-+--++---+----+-++-----+---++---++++--+-+---------+-+---++-+--++++--+--+--- chirality
bends S SSS S SS S SSSSS SSS S SSSS SSSS SSS SSSSS SSS SS SSSS bends
turns TTTTT TTTT TTTT TTTTTT TTTT TTTT TTTT turns
5-turns 5-turns
3-turns >>3<< >33< >33< >>3<< >33< >33< >33< 3-turns
bridge-2 BB B CCCCCCCCCC DDDDDD C D bridge-2
bridge-1 AAA A A AAA CCCCCCCCCC EEEEEEEE D B BBFF FF bridge-1
sheets AAA AAAAAAAAAA AAAAAAAAAA BBBBBBBB AAAA AA sheets
4-turns >444< 4-turns
summary S gGGeEEEe SS S B SStTTeEEEEEEEEEETeEEEEEEEEEEeS tgGGGgSSSeEEEEEEEEtTTt B SSSSB tTTtEEEETTEEe summary
sequence AITIGNKNDDKLTLWTTPDPSPNCRIHSDNDCKFTLVLTKCGSQVLATVAALAVSGDLSSMTGTVASVSIFLRFDQNGVLMENSSLKKHYWNFRNGNSTN sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand SS S GGGSB TTTS SS GGGEEEEEEEGGG TTSEEEEEEEESGGGS TT SEEEEEEEE TT TTS B EEEEEEB Kabs/Sand
chirality +---++++++---+++--+-+---+++--+-+----+-++++-------++++-++-+++--++-----++--++++++--+-----+----- chirality
bends SS S SSS SSSS SS SSS SSS SSS SSSSS SS SS SS SSS bends
turns TTTTT TTTTT TTTTT TTTTTTTT TTTTT TTTT TTTTTTTT turns
5-turns 5-turns
3-turns >>3<< >>3<< >>3>3<< >33< >33<>33< 3-turns
bridge-2 HHHHHH HHHHHH bridge-2
bridge-1 E GGGGGGG GGGGGGG EEEEEEEE C DDDDDDE bridge-1
sheets BBBBBBB BBBBBBBB BBBBBBBB AAAAAA sheets
4-turns >444< 4-turns
summary SS S gGGGgBtTTTt SS gGGeEEEEEEEeGGgTTeEEEEEEEEeGGGg tTTt SEEEEEEEEetTTttTTt B EEEEEEe summary
sequence ANPYTNAVGFMPNLLAYPKTQSQTAKNNIVSQVYLHGDKTKPMILTITLNGTSESTETSEVSTYSMSFTWSWESGKYTTETFATNSYTFSYIAQE sequence
110 120 130 140 150 160 170 180 190