Secondary structure calculation program - copyright by David Keith Smith, 1989
1bvyF.pdb
1BVY OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 152
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 F 479 ASN N 0 0 999.9 76.4 -174.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 25
2 F 480 THR T - 0 0 -78.6 148.0 -175.1 -101.2 999.9 113.5 0 0.0 32 -2.4 0 0.0 4 -0.6 7 34
3 F 481 PRO P e - 0 0 -68.5 105.5 176.2 -179.9 39.0 118.1 0 0.0 50 -1.2 0 0.0 5 -0.7 11 41
4 F 482 LEU L E E Aa - 50 0 -112.2 105.4 179.3 -169.4 5.6 148.7 2 -0.6 34 -1.9 0 0.0 6 -0.6 14 54
5 F 483 LEU L E E Aab - 51 34 -93.0 123.7 177.8 -164.7 2.6 140.7 50 -2.1 52 -1.7 3 -0.7 7 -0.6 14 56
6 F 484 VAL V E E Aab - 52 35 -112.9 120.9 -179.3 -173.6 6.6 158.2 34 -4.1 36 -2.0 4 -0.6 0 0.0 16 61
7 F 485 LEU L E E Aab - 53 36 -108.9 141.7 177.0 -160.5 5.0 149.0 52 -2.5 54 -2.5 5 -0.6 0 0.0 13 65
8 F 486 TYR Y E E Aab - 54 37 -126.1 154.0 166.7 -159.9 20.2 156.7 36 -2.1 38 -3.0 0 0.0 0 0.0 16 58
9 F 487 GLY G E E Aa + 55 0 -118.6 105.9 -176.6 153.2 40.0 166.5 54 -1.8 56 -1.8 0 0.0 0 0.0 17 58
10 F 488 SER S + 0 0 -144.9 141.7 172.5 170.5 34.1 178.0 0 0.0 0 0.0 0 0.0 0 0.0 15 48
11 F 489 ASN N S S S+ 0 0 -108.6 -45.7 178.6 25.5 95.5 47.1 0 0.0 0 0.0 0 0.0 0 0.0 7 35
12 F 490 MET M S S S- 0 0 -108.1 16.6 170.5 -108.0 109.0 75.1 0 0.0 0 0.0 0 0.0 0 0.0 5 28
13 F 491 GLY G S h > TS+ 0 0 86.0 -7.2 177.0 111.4 86.9 70.1 0 0.0 17 -2.8 0 0.0 0 0.0 7 34
14 F 492 THR T H H > TS+ 0 0 -61.0 -55.0 175.5 37.1 90.4 10.9 0 0.0 18 -2.0 0 0.0 0 0.0 8 42
15 F 493 ALA A H H > TS+ 0 0 -62.9 -38.8 177.6 54.6 116.5 31.3 0 0.0 19 -2.2 0 0.0 0 0.0 14 53
16 F 494 GLU E H H > TS+ 0 0 -66.5 -38.4 179.1 45.2 110.0 26.1 0 0.0 20 -1.9 0 0.0 0 0.0 12 45
17 F 495 GLY G H H X TS+ 0 0 -71.5 -35.6 177.4 52.4 111.7 27.5 13 -2.8 21 -2.2 0 0.0 0 0.0 8 37
18 F 496 THR T H H X TS+ 0 0 -61.1 -44.7 175.6 50.0 110.0 22.2 14 -2.0 22 -2.6 0 0.0 0 0.0 9 54
19 F 497 ALA A H H X TS+ 0 0 -57.2 -47.8 -179.0 45.6 112.4 25.3 15 -2.2 23 -2.6 0 0.0 0 0.0 14 54
20 F 498 ARG R H H X TS+ 0 0 -71.8 -29.3 175.2 55.0 110.3 34.7 16 -1.9 24 -1.0 0 0.0 0 0.0 10 40
21 F 499 ASP D H H X > TS+ 0 0 -66.0 -47.7 177.8 48.6 108.5 17.6 17 -2.2 25 -2.1 0 0.0 24 -0.6 8 41
22 F 500 LEU L H H X 3 TS+ 0 0 -56.1 -51.6 178.0 51.3 109.5 16.0 18 -2.6 26 -2.5 0 0.0 0 0.0 9 55
23 F 501 ALA A H H X 3 TS+ 0 0 -58.1 -22.9 178.9 54.2 108.6 38.8 19 -2.6 27 -1.3 0 0.0 0 0.0 14 42
24 F 502 ASP D H H X < TS+ 0 0 -79.6 -35.5 178.2 44.2 109.9 30.7 20 -1.0 28 -0.9 21 -0.6 0 0.0 8 29
25 F 503 ILE I H H < TS+ 0 0 -78.9 -22.8 177.1 59.1 108.6 38.1 21 -2.1 0 0.0 0 0.0 0 0.0 8 36
26 F 504 ALA A H H < >>TS+ 0 0 -65.8 -44.3 179.2 54.6 100.9 18.4 22 -2.5 31 -2.0 0 0.0 29 -1.9 12 40
27 F 505 MET M H H < >5TS+ 0 0 -54.8 -34.5 176.0 52.5 106.7 36.9 23 -1.3 30 -0.9 0 0.0 0 0.0 10 25
28 F 506 SER S T h < 35TS+ 0 0 -75.6 -16.5 -178.6 51.8 107.9 51.8 24 -0.9 0 0.0 0 0.0 0 0.0 7 23
29 F 507 LYS K T T <5TS- 0 0 -112.7 22.2 171.6 -105.3 123.0 84.6 26 -1.9 0 0.0 0 0.0 0 0.0 6 32
30 F 508 GLY G T T <5TS+ 0 0 76.2 1.9 179.5 139.7 72.8 68.9 27 -0.9 0 0.0 0 0.0 0 0.0 8 26
31 F 509 PHE F t T - 8 0 -64.4 164.6 178.8 -117.9 40.3 102.7 0 0.0 40 -0.7 0 0.0 0 0.0 12 49
38 F 516 LEU L G e > TS+ 0 0 -70.8 -51.7 -169.7 52.9 108.0 15.6 8 -3.0 41 -1.9 0 0.0 40 -0.8 14 59
39 F 517 ASP D G G 3 TS+ 0 0 -83.6 35.9 177.5 66.8 99.1 85.7 65 -2.5 0 0.0 0 0.0 0 0.0 12 44
40 F 518 SER S G G < TS+ 0 0 -123.7 -12.2 172.9 44.5 102.0 66.1 38 -0.8 0 0.0 37 -0.7 0 0.0 10 35
41 F 519 HIS H S g X TS+ 0 0 -117.3 24.8 177.6 151.2 79.1 95.9 38 -1.9 43 -1.1 0 0.0 44 -0.9 10 42
42 F 520 ALA A T T 3 TS- 0 0 -61.4 96.6 -179.5 -0.4 83.0 118.6 0 0.0 0 0.0 0 0.0 0 0.0 12 42
43 F 521 GLY G T T 3 TS+ 0 0 108.3 -23.0 -177.7 91.9 116.4 86.7 41 -1.1 0 0.0 0 0.0 0 0.0 7 41
44 F 522 ASN N t < T + 0 0 -101.0 42.2 173.4 157.2 50.9 107.6 41 -0.9 0 0.0 0 0.0 0 0.0 5 42
45 F 523 LEU L - 0 0 -66.2 137.8 -175.5 -98.9 53.6 118.4 0 0.0 0 0.0 0 0.0 0 0.0 9 55
46 F 524 PRO P - 0 0 -67.3 122.1 178.3 -158.6 24.3 115.1 0 0.0 0 0.0 0 0.0 0 0.0 10 43
47 F 525 ARG R S S S+ 0 0 -83.8 18.4 178.3 50.5 78.3 79.8 0 0.0 0 0.0 0 0.0 0 0.0 9 32
48 F 526 GLU E S S S+ 0 0 -162.8 142.8 -172.1 2.7 106.1 163.6 0 0.0 50 -0.8 0 0.0 0 0.0 8 35
49 F 527 GLY G S S S- 0 0 87.4 -107.2 -177.7 -68.7 99.6 145.0 0 0.0 0 0.0 0 0.0 0 0.0 10 46
50 F 528 ALA A E E Aa - 4 0 -173.8 158.2 -179.1 -133.2 32.0 162.6 3 -1.2 5 -2.1 48 -0.8 0 0.0 13 59
51 F 529 VAL V E E Aac - 5 86 -132.8 111.8 174.7 -155.2 11.6 160.9 85 -1.4 87 -1.4 0 0.0 0 0.0 14 68
52 F 530 LEU L E E Aac - 6 87 -82.4 130.5 -176.6 -158.0 12.3 133.9 5 -1.7 7 -2.5 0 0.0 54 -0.6 12 77
53 F 531 ILE I E E Aac - 7 88 -122.1 110.5 -178.1 -178.9 11.6 159.3 87 -2.2 89 -3.2 0 0.0 55 -0.5 13 84
54 F 532 VAL V E E Aac + 8 89 -110.1 115.6 -174.4 155.5 18.7 159.2 7 -2.5 9 -1.8 52 -0.6 0 0.0 17 75
55 F 533 THR T E E Aac - 9 90 -151.4 148.6 173.5 -147.6 30.9 176.5 89 -2.0 91 -2.7 53 -0.5 0 0.0 15 70
56 F 534 ALA A e - 0 0 -93.9 -177.9 174.6 -129.6 20.4 108.5 9 -1.8 0 0.0 0 0.0 0 0.0 15 61
57 F 535 SER S - 0 0 -133.7 144.2 174.2 -156.7 7.5 170.2 0 0.0 0 0.0 0 0.0 0 0.0 16 52
58 F 536 TYR Y B B A > TS- 61 0 -126.9 106.7 -176.2 -37.2 79.0 154.9 61 -3.3 61 -2.0 0 0.0 0 0.0 7 41
59 F 537 ASN N T T 3 TS- 0 0 48.4 37.8 177.7 -44.6 125.9 32.3 0 0.0 0 0.0 0 0.0 0 0.0 6 31
60 F 538 GLY G T T 3 TS+ 0 0 91.6 1.6 -175.1 104.8 123.0 63.0 0 0.0 0 0.0 0 0.0 0 0.0 10 34
61 F 539 HIS H B B A < TS- 58 0 -120.1 159.6 -177.8 -98.5 74.4 140.7 58 -2.0 58 -3.3 0 0.0 0 0.0 9 39
62 F 540 PRO P - 0 0 -74.1 149.8 173.5 -100.3 45.3 112.5 0 0.0 0 0.0 0 0.0 0 0.0 13 51
63 F 541 PRO P t > > T - 0 0 -60.8 161.4 -176.0 -95.3 43.4 102.1 0 0.0 66 -2.6 0 0.0 67 -1.0 13 44
64 F 542 ASP D T T 4 3 TS+ 0 0 -54.1 -32.3 179.6 49.1 126.0 37.0 0 0.0 0 0.0 0 0.0 0 0.0 8 34
65 F 543 ASN N T T 4 3 TS+ 0 0 -94.2 19.8 -178.5 47.9 113.0 77.9 0 0.0 39 -2.5 0 0.0 0 0.0 14 39
66 F 544 ALA A T h > < TS+ 0 0 -130.3 -9.7 -175.2 91.3 80.4 59.3 63 -2.6 70 -2.0 0 0.0 0 0.0 15 54
67 F 545 LYS K H H X TS+ 0 0 -58.6 -44.2 179.5 51.5 86.9 33.6 63 -1.0 71 -2.5 0 0.0 0 0.0 11 41
68 F 546 GLN Q H H > TS+ 0 0 -63.2 -34.7 -179.3 51.8 110.2 35.2 0 0.0 72 -1.9 0 0.0 0 0.0 11 34
69 F 547 PHE F H H > TS+ 0 0 -65.9 -57.8 -177.4 42.0 112.5 11.4 0 0.0 73 -2.2 0 0.0 0 0.0 13 49
70 F 548 VAL V H H X TS+ 0 0 -58.8 -47.1 179.1 50.7 114.4 27.2 66 -2.0 74 -4.2 0 0.0 0 0.0 12 53
71 F 549 ASP D H H X >TS+ 0 0 -57.4 -50.1 173.8 48.2 111.8 15.0 67 -2.5 75 -1.1 0 0.0 76 -0.6 9 34
72 F 550 TRP W H H < 5TS+ 0 0 -51.2 -40.3 -178.1 45.5 116.6 27.2 68 -1.9 0 0.0 0 0.0 0 0.0 11 32
73 F 551 LEU L H H < 5TS+ 0 0 -72.5 -44.2 -177.1 48.6 113.4 24.2 69 -2.2 0 0.0 0 0.0 0 0.0 12 43
74 F 552 ASP D H H < 5TS+ 0 0 -61.5 -81.1 178.6 14.9 127.8 4.9 70 -4.2 0 0.0 0 0.0 0 0.0 8 35
75 F 553 GLN Q T h < 5TS+ 0 0 -58.8 -72.1 -178.5 68.3 118.4 7.2 71 -1.1 0 0.0 0 0.0 0 0.0 6 22
76 F 554 ALA A t T + 0 0 -104.5 30.3 179.2 146.0 55.3 96.7 114 -1.6 84 -0.8 0 0.0 0 0.0 11 41
82 F 560 LYS K T T 3 T + 0 0 -74.7 134.8 -179.1 24.9 63.6 122.7 0 0.0 0 0.0 0 0.0 0 0.0 9 33
83 F 561 GLY G T T 3 TS+ 0 0 104.2 -29.8 -177.2 122.1 88.9 97.2 0 0.0 85 -0.8 0 0.0 0 0.0 10 30
84 F 562 VAL V t < T - 0 0 -70.0 100.4 177.3 -166.1 45.1 122.1 81 -0.8 117 -1.3 0 0.0 86 -0.8 14 47
85 F 563 ARG R e + 0 0 -92.7 108.7 -173.9 154.5 28.3 144.7 83 -0.8 51 -1.4 0 0.0 0 0.0 13 48
86 F 564 TYR Y E E Ac - 51 0 -122.6 -169.4 178.6 -156.5 34.1 116.7 84 -0.8 119 -1.8 0 0.0 120 -0.8 13 67
87 F 565 SER S E E Acd - 52 120 -168.6 149.0 -175.1 -136.3 18.1 154.8 51 -1.4 53 -2.2 0 0.0 0 0.0 14 65
88 F 566 VAL V E E Ac* - 53 0 -126.4 131.2 172.8 -166.4 9.4 165.6 120 -0.6 123 -2.1 0 0.0 0 0.0 14 67
89 F 567 PHE F E E Acd - 54 123 -114.9 128.1 -176.2 -146.0 18.2 164.9 53 -3.2 55 -2.0 0 0.0 0 0.0 15 68
90 F 568 GLY G E E Acd - 55 124 -100.5 125.9 170.5 -165.6 11.4 142.0 123 -4.6 125 -1.9 0 0.0 92 -0.6 14 68
91 F 569 CYS C E E A d + 0 125 -105.4 114.3 -177.7 138.6 35.7 161.0 55 -2.7 0 0.0 0 0.0 0 0.0 16 67
92 F 570 GLY G E E A d - 0 126 -145.6 175.8 177.1 -126.1 45.6 150.3 125 -2.4 127 -2.3 90 -0.6 0 0.0 12 53
93 F 571 ASP D t > T - 0 0 -134.5 126.8 -179.1 -145.1 11.6 173.0 0 0.0 96 -2.0 0 0.0 0 0.0 11 40
94 F 572 LYS K T T 3 TS+ 0 0 -61.2 -21.2 177.5 79.6 96.1 43.4 0 0.0 0 0.0 0 0.0 0 0.0 9 27
95 F 573 ASN N T T 3 TS+ 0 0 -61.9 -10.3 175.8 75.7 78.7 57.6 0 0.0 97 -0.5 0 0.0 0 0.0 5 23
96 F 574 TRP W S g > X TS- 0 0 -111.0 72.3 174.8 -166.5 76.7 136.2 93 -2.0 99 -0.8 0 0.0 100 -0.6 8 26
97 F 575 ALA A G G 4 > TS+ 0 0 -6.6 -94.2 -175.9 16.8 71.7 49.0 95 -0.5 100 -0.7 0 0.0 0 0.0 6 19
98 F 576 THR T G G 4 3 TS+ 0 0 -80.6 -9.3 -177.1 57.0 124.5 67.2 0 0.0 0 0.0 0 0.0 0 0.0 4 20
99 F 577 THR T G G 4 X T + 0 0 -110.0 6.1 -175.6 149.7 68.7 66.5 96 -0.8 102 -2.5 0 0.0 0 0.0 9 29
100 F 578 TYR Y T g < < TS- 0 0 -50.2 117.6 177.4 -21.2 82.8 98.3 97 -0.7 0 0.0 96 -0.6 0 0.0 11 35
101 F 579 GLN Q T h > 3 TS+ 0 0 56.0 26.5 -176.8 147.8 89.4 47.2 0 0.0 105 -2.4 0 0.0 0 0.0 14 47
102 F 580 LYS K H H > < T + 0 0 -59.6 -37.7 -177.7 47.7 66.8 29.9 99 -2.5 106 -2.5 0 0.0 0 0.0 10 44
103 F 581 VAL V H H > TS+ 0 0 -75.0 -51.2 175.7 44.5 113.0 9.7 0 0.0 107 -2.6 0 0.0 0 0.0 12 58
104 F 582 PRO P H H > TS+ 0 0 -52.6 -42.1 179.0 49.5 116.9 23.8 0 0.0 108 -2.7 0 0.0 0 0.0 15 66
105 F 583 ALA A H H X TS+ 0 0 -61.6 -49.5 177.7 50.1 110.0 18.7 101 -2.4 109 -2.5 0 0.0 0 0.0 9 50
106 F 584 PHE F H H X TS+ 0 0 -51.2 -55.8 -178.2 43.5 114.6 18.3 102 -2.5 110 -2.7 0 0.0 0 0.0 8 54
107 F 585 ILE I H H X TS+ 0 0 -58.1 -46.5 -178.0 51.1 114.3 26.4 103 -2.6 111 -2.5 0 0.0 0 0.0 11 66
108 F 586 ASP D H H X TS+ 0 0 -57.4 -56.8 -177.6 33.2 118.9 19.3 104 -2.7 112 -0.8 0 0.0 0 0.0 11 55
109 F 587 GLU E H H X TS+ 0 0 -76.3 -30.1 178.4 54.2 118.1 37.7 105 -2.5 113 -1.8 0 0.0 0 0.0 8 37
110 F 588 THR T H H < TS+ 0 0 -69.6 -39.6 -179.9 54.8 104.6 22.4 106 -2.7 0 0.0 0 0.0 0 0.0 10 42
111 F 589 LEU L H H < > TS+ 0 0 -58.7 -29.2 -176.9 48.6 110.2 36.0 107 -2.5 114 -0.5 0 0.0 0 0.0 11 54
112 F 590 ALA A H H X > TS+ 0 0 -85.6 -32.1 174.8 61.1 99.8 34.3 108 -0.8 115 -1.5 0 0.0 116 -0.8 10 37
113 F 591 ALA A T h < 3 TS+ 0 0 -82.7 37.7 -177.4 50.5 108.1 93.4 109 -1.8 0 0.0 0 0.0 0 0.0 7 28
114 F 592 LYS K T T 4 < TS- 0 0 -155.4 6.1 176.2 -61.8 139.1 81.9 111 -0.5 81 -1.6 0 0.0 0 0.0 10 31
115 F 593 GLY G T T 4 < T - 0 0 106.1 68.5 -169.6 -156.8 66.1 32.2 112 -1.5 0 0.0 0 0.0 0 0.0 10 31
116 F 594 ALA A t < T - 0 0 -89.5 141.9 167.3 -173.2 30.2 121.5 112 -0.8 0 0.0 0 0.0 0 0.0 13 38
117 F 595 GLU E + 0 0 -111.1 44.7 176.8 176.0 25.8 111.9 84 -1.3 119 -1.0 0 0.0 0 0.0 10 38
118 F 596 ASN N + 0 0 -53.6 94.5 -178.5 174.4 4.8 112.5 0 0.0 0 0.0 0 0.0 0 0.0 9 48
119 F 597 ILE I + 0 0 -80.4 -19.4 -176.7 28.9 66.2 51.7 86 -1.8 0 0.0 117 -1.0 0 0.0 10 45
120 F 598 ALA A E E Ad S- 87 0 -150.0 125.5 -174.0 -111.2 88.1 163.5 86 -0.8 88 -0.6 0 0.0 0 0.0 11 46
121 F 599 ASP D E E A* - 0 0 -61.2 145.5 179.9 -90.2 48.2 103.9 0 0.0 0 0.0 0 0.0 0 0.0 8 44
122 F 600 ARG R E E A* - 0 0 -47.1 159.2 176.5 -145.3 39.5 87.9 0 0.0 0 0.0 0 0.0 0 0.0 10 51
123 F 601 GLY G E E Ad - 89 0 -133.3 144.8 -174.4 -151.6 7.5 167.6 88 -2.1 90 -4.6 0 0.0 0 0.0 10 53
124 F 602 GLU E E E Ad - 90 0 -121.8 146.6 172.6 -161.0 5.0 152.8 0 0.0 0 0.0 0 0.0 0 0.0 13 51
125 F 603 ALA A E E Ad - 91 0 -126.6 124.3 174.0 -158.5 5.4 169.7 90 -1.9 92 -2.4 0 0.0 127 -0.7 14 47
126 F 604 ASP D E E Ad > T - 92 0 -99.7 110.1 179.9 -165.1 2.0 153.9 0 0.0 129 -1.9 0 0.0 0 0.0 11 41
127 F 605 ALA A T e 3 TS+ 0 0 -61.1 -26.5 -179.6 64.9 88.7 42.1 92 -2.3 0 0.0 125 -0.7 0 0.0 10 34
128 F 606 SER S T T 3 TS+ 0 0 -80.0 1.7 176.5 2.0 121.6 68.3 0 0.0 0 0.0 0 0.0 0 0.0 8 23
129 F 607 ASP D S t < TS- 0 0 -145.5 -105.8 -169.0 -10.3 125.1 93.6 126 -1.9 131 -0.6 0 0.0 0 0.0 5 20
130 F 608 ASP D h > T + 0 0 -116.6 66.5 -177.6 158.2 56.8 125.0 0 0.0 134 -1.8 0 0.0 0 0.0 9 22
131 F 609 PHE F H H > TS+ 0 0 -62.2 -29.9 -177.3 50.3 77.0 35.8 129 -0.6 135 -1.7 0 0.0 0 0.0 11 32
132 F 610 GLU E H H > TS+ 0 0 -83.3 -24.7 173.7 56.4 105.9 37.2 0 0.0 136 -2.0 0 0.0 0 0.0 7 29
133 F 611 GLY G H H > TS+ 0 0 -60.4 -64.4 -179.3 37.3 114.4 4.2 0 0.0 137 -3.0 0 0.0 0 0.0 7 24
134 F 612 THR T H H X TS+ 0 0 -57.0 -39.4 -179.0 53.6 115.8 31.4 130 -1.8 138 -2.6 0 0.0 0 0.0 11 32
135 F 613 TYR Y H H X TS+ 0 0 -63.6 -38.5 177.5 46.6 112.2 20.9 131 -1.7 139 -1.7 0 0.0 0 0.0 12 47
136 F 614 GLU E H H X TS+ 0 0 -66.5 -46.4 177.2 49.8 111.6 21.6 132 -2.0 140 -2.2 0 0.0 0 0.0 8 33
137 F 615 GLU E H H X TS+ 0 0 -55.4 -58.2 -178.1 45.5 113.2 11.3 133 -3.0 141 -2.1 0 0.0 0 0.0 8 29
138 F 616 TRP W H H X TS+ 0 0 -53.6 -38.5 -178.3 53.4 112.5 34.9 134 -2.6 142 -1.6 0 0.0 0 0.0 12 41
139 F 617 ARG R H H X TS+ 0 0 -64.7 -57.1 -178.6 42.3 110.1 18.1 135 -1.7 143 -2.8 0 0.0 0 0.0 8 47
140 F 618 GLU E H H X TS+ 0 0 -60.2 -51.0 174.8 45.3 118.9 14.3 136 -2.2 144 -1.6 0 0.0 0 0.0 8 33
141 F 619 HIS H H H X TS+ 0 0 -54.0 -38.4 -175.7 56.0 113.2 26.7 137 -2.1 145 -2.1 0 0.0 0 0.0 9 31
142 F 620 MET M H H X TS+ 0 0 -63.7 -54.5 -176.6 50.0 101.9 18.5 138 -1.6 146 -2.1 0 0.0 0 0.0 10 50
143 F 621 TRP W H H X TS+ 0 0 -53.4 -42.1 -179.4 48.4 113.8 27.7 139 -2.8 147 -1.8 0 0.0 0 0.0 8 51
144 F 622 SER S H H X TS+ 0 0 -66.3 -44.9 178.8 55.7 105.8 26.9 140 -1.6 148 -1.9 0 0.0 0 0.0 8 32
145 F 623 ASP D H H X TS+ 0 0 -53.8 -46.7 179.8 37.4 116.7 21.8 141 -2.1 149 -1.4 0 0.0 0 0.0 10 33
146 F 624 VAL V H H X TS+ 0 0 -75.7 -28.1 177.5 60.9 113.6 41.0 142 -2.1 150 -2.1 0 0.0 0 0.0 11 44
147 F 625 ALA A H H < TS+ 0 0 -56.5 -76.9 173.7 36.1 110.2 5.1 143 -1.8 0 0.0 0 0.0 0 0.0 9 35
148 F 626 ALA A H H < TS+ 0 0 -41.4 -44.4 -178.7 63.2 113.2 33.1 144 -1.9 0 0.0 0 0.0 0 0.0 8 20
149 F 627 TYR Y H H < TS- 0 0 -51.3 -59.3 -177.1 -7.9 127.0 20.0 145 -1.4 0 0.0 0 0.0 0 0.0 7 29
150 F 628 PHE F S h < TS- 0 0 -100.8 -100.9 -170.7 -15.8 115.8 46.1 146 -2.1 0 0.0 0 0.0 0 0.0 6 30
151 F 629 ASN N 0 0 -114.3 179.7 -171.6 999.9 999.9 118.7 0 0.0 0 0.0 0 0.0 0 0.0 6 23
152 F 630 LEU L 0 0 -148.3 999.9 999.9 999.9 999.9 73.1 0 0.0 0 0.0 0 0.0 0 0.0 4 20
1bvyF.pdb
1BVY OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEE SSSHHHHHHHHHHHHHHTTT EEEEGGGSTT SSSEEEEEE BTTB TTTHHHHHHHHT SS TT EEEEEEE TTSGGGT Kabs/Sand
chirality -------+++-++++++++++++++++-+----+--++++-++--++-----+-----+---+++++++++++++++--+++-+-----+--++-+++- chirality
bends SSSSSSSSSSSSSSSSSSSS SSSSSS SSS SSSS SSSSSSSSSSSS SS S SSSSS S bends
turns TTTTTTTTTTTTTTTTTTT TTTTTTTT TTTT TTTTTTTTTTTTTT TTTT TTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >>3<< >>333< >33< >33< >33X>3X< 3-turns
bridge-2 bbbb ccccc d*dddd bridge-2
bridge-1 aaaaaa bbbb aaaaaa A A ccccc bridge-1
sheets AAAAAA AAAA AAAAAA AAAAAAA sheets
4-turns >>>>XXXXXXXX<<<< >44>X>>XX<<<< >444< 4-turns
summary eEEEEEE SShHHHHHHHHHHHHHHhTTt EEEEeGGgTTt SSSEEEEEEe BTTB tTThHHHHHHHHht SS tTTteEEEEEEEtTTgGGGg summary
sequence NTPLLVLYGSNMGTAEGTARDLADIAMSKGFAPQVATLDSHAGNLPREGAVLIVTASYNGHPPDNAKQFVDWLDQASADEVKGVRYSVFGCGDKNWATTY sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand THHHHHHHHHHHTTT EEEEEEETTS HHHHHHHHHHHHHHHHHHHS Kabs/Sand
chirality +++++++++++++---+++-------++-+++++++++++++++++++-- chirality
bends S SSSSSSSSSSSS S SSS SSSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns 3< >>3<< >33< 3-turns
bridge-2 bridge-2
bridge-1 d**dddd bridge-1
sheets AAAAAAA sheets
4-turns >>>>XXXXX<>>>XXXXXXXXXXXXX<<<< 4-turns
summary hHHHHHHHHHHHhTTt EEEEEEEeTthHHHHHHHHHHHHHHHHHHHh summary
sequence QKVPAFIDETLAAKGAENIADRGEADASDDFEGTYEEWREHMWSDVAAYFNL sequence
110 120 130 140 150