Secondary structure calculation program - copyright by David Keith Smith, 1989
1ld8B.pdb
1LD8 TRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 407
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 B 517 PRO P t > T 0 0 999.9 147.7 -178.6 999.9 999.9 999.9 0 0.0 4 -1.4 0 0.0 0 0.0 4 13
2 B 518 VAL V T T 3 T + 0 0 -67.0 -20.1 -179.0 62.8 999.9 45.6 0 0.0 0 0.0 0 0.0 0 0.0 4 18
3 B 519 TRP W T T 3 TS+ 0 0 -88.9 6.1 178.0 56.7 100.6 69.4 0 0.0 0 0.0 0 0.0 0 0.0 7 20
4 B 520 SER S t < T - 0 0 -138.8 131.0 -179.4 -177.8 59.5 173.9 1 -1.4 0 0.0 0 0.0 0 0.0 9 24
5 B 521 GLU E - 0 0 -134.1 108.7 180.0 -131.0 24.8 157.7 52 -2.8 0 0.0 0 0.0 0 0.0 10 35
6 B 522 PRO P - 0 0 -55.7 140.9 -179.6 -142.5 24.3 103.8 0 0.0 0 0.0 0 0.0 0 0.0 7 36
7 B 523 LEU L g > T - 0 0 -115.0 143.0 179.6 -139.3 14.7 152.2 0 0.0 10 -0.8 0 0.0 0 0.0 8 50
8 B 524 TYR Y G G > TS+ 0 0 -59.0 -44.5 -178.7 53.5 106.9 25.5 0 0.0 11 -1.3 0 0.0 0 0.0 9 48
9 B 525 SER S G G 3 TS+ 0 0 -68.3 -15.6 -179.3 52.6 107.4 49.6 0 0.0 0 0.0 0 0.0 0 0.0 11 53
10 B 526 LEU L G G < TS+ 0 0 -101.0 -1.1 178.9 117.6 78.7 65.0 7 -0.8 0 0.0 0 0.0 0 0.0 10 46
11 B 527 ARG R S g X TS- 0 0 -63.7 147.8 179.9 -122.3 73.7 109.8 8 -1.3 14 -1.2 0 0.0 0 0.0 9 32
12 B 528 PRO P G G > TS+ 0 0 -61.2 -36.1 -180.0 57.4 111.8 27.8 0 0.0 15 -1.3 0 0.0 0 0.0 5 22
13 B 529 GLU E G G > TS+ 0 0 -67.5 -17.2 -178.2 80.1 86.9 47.1 0 0.0 16 -1.7 0 0.0 0 0.0 6 20
14 B 530 HIS H G G X TS+ 0 0 -61.7 -27.1 179.5 69.7 78.0 36.2 11 -1.2 17 -2.1 0 0.0 0 0.0 11 33
15 B 531 ALA A G G X TS+ 0 0 -61.4 -24.9 179.5 65.5 87.9 39.4 12 -1.3 18 -1.4 0 0.0 0 0.0 8 28
16 B 532 ARG R G G < TS+ 0 0 -73.5 -9.0 -179.6 70.6 87.1 52.8 13 -1.7 0 0.0 0 0.0 0 0.0 5 22
17 B 533 GLU E G G < TS+ 0 0 -86.5 0.3 179.3 119.1 72.6 64.2 14 -2.1 0 0.0 0 0.0 0 0.0 8 31
18 B 534 ARG R S g < TS- 0 0 -65.1 151.0 -179.0 -79.2 80.1 108.0 15 -1.4 0 0.0 0 0.0 0 0.0 9 38
19 B 535 LEU L - 0 0 -54.3 137.1 176.7 -154.0 35.3 99.9 0 0.0 21 -0.6 0 0.0 0 0.0 9 38
20 B 536 GLN Q - 0 0 -113.5 103.3 -178.6 -177.6 11.8 160.6 0 0.0 0 0.0 0 0.0 0 0.0 5 26
21 B 537 ASP D t > T - 0 0 -85.7 7.7 179.5 -127.8 37.1 69.3 19 -0.6 24 -2.6 0 0.0 0 0.0 7 23
22 B 538 ASP D T T 3 T - 0 0 54.1 22.4 -179.4 -72.6 61.9 44.0 0 0.0 0 0.0 0 0.0 0 0.0 4 15
23 B 539 SER S T T 3 TS+ 0 0 64.8 24.3 178.5 116.7 111.6 41.1 0 0.0 25 -0.5 0 0.0 0 0.0 5 14
24 B 540 VAL V t < T - 0 0 -125.2 102.6 -178.7 -160.7 51.2 157.1 21 -2.6 0 0.0 0 0.0 0 0.0 5 14
25 B 541 GLU E + 0 0 -90.7 135.9 176.7 160.1 19.0 133.4 23 -0.5 0 0.0 0 0.0 0 0.0 8 16
26 B 542 THR T h > T - 0 0 -140.4 166.3 -179.9 -92.2 58.4 153.4 0 0.0 30 -2.4 0 0.0 0 0.0 6 17
27 B 543 VAL V H H > TS+ 0 0 -49.2 -40.4 -179.7 56.0 125.4 28.5 0 0.0 31 -2.2 0 0.0 0 0.0 6 18
28 B 544 THR T H H > TS+ 0 0 -59.3 -52.3 -178.7 41.0 109.7 20.1 0 0.0 32 -2.1 0 0.0 0 0.0 9 24
29 B 545 SER S H H > TS+ 0 0 -67.0 -35.9 179.4 55.2 113.2 30.2 0 0.0 33 -2.7 0 0.0 0 0.0 10 26
30 B 546 ILE I H H X TS+ 0 0 -62.7 -45.2 -179.8 43.4 111.3 22.8 26 -2.4 34 -1.7 0 0.0 0 0.0 9 24
31 B 547 GLU E H H X TS+ 0 0 -68.1 -40.5 179.6 50.9 113.9 25.4 27 -2.2 35 -1.9 0 0.0 0 0.0 9 30
32 B 548 GLN Q H H X TS+ 0 0 -62.3 -44.6 -180.0 50.3 109.8 23.3 28 -2.1 36 -2.4 0 0.0 0 0.0 11 43
33 B 549 ALA A H H X TS+ 0 0 -63.0 -36.6 179.6 54.2 107.6 30.5 29 -2.7 37 -2.2 0 0.0 0 0.0 9 36
34 B 550 LYS K H H X TS+ 0 0 -64.7 -42.5 179.3 47.0 109.5 24.3 30 -1.7 38 -1.7 0 0.0 0 0.0 8 32
35 B 551 VAL V H H X TS+ 0 0 -64.1 -46.3 -179.4 51.0 111.8 20.0 31 -1.9 39 -2.7 0 0.0 0 0.0 9 43
36 B 552 GLU E H H X TS+ 0 0 -59.9 -39.9 -180.0 53.4 106.8 28.4 32 -2.4 40 -2.4 0 0.0 0 0.0 12 47
37 B 553 GLU E H H X TS+ 0 0 -62.3 -43.9 179.0 45.0 112.1 22.3 33 -2.2 41 -1.6 0 0.0 0 0.0 8 37
38 B 554 LYS K H H X TS+ 0 0 -65.0 -43.7 -179.6 51.5 112.6 23.3 34 -1.7 42 -2.0 0 0.0 0 0.0 9 36
39 B 555 ILE I H H X TS+ 0 0 -62.8 -37.1 179.5 54.2 106.2 30.3 35 -2.7 43 -2.9 0 0.0 0 0.0 11 51
40 B 556 GLN Q H H X TS+ 0 0 -63.8 -41.1 178.8 51.6 107.0 24.9 36 -2.4 44 -2.7 0 0.0 0 0.0 8 45
41 B 557 GLU E H H X TS+ 0 0 -60.4 -44.3 179.3 46.8 112.0 23.5 37 -1.6 45 -1.2 0 0.0 0 0.0 8 30
42 B 558 VAL V H H < > TS+ 0 0 -62.7 -50.3 179.6 50.6 111.2 17.4 38 -2.0 45 -0.8 0 0.0 0 0.0 10 40
43 B 559 PHE F H H < > TS+ 0 0 -52.3 -49.8 -179.4 52.8 108.7 21.7 39 -2.9 46 -1.9 0 0.0 0 0.0 12 53
44 B 560 SER S H H < > TS+ 0 0 -59.1 -28.4 -179.1 66.8 96.8 38.7 40 -2.7 47 -1.5 0 0.0 0 0.0 8 37
45 B 561 SER S T h < < TS+ 0 0 -70.9 -10.7 179.4 53.1 98.7 51.8 41 -1.2 0 0.0 42 -0.8 0 0.0 7 31
46 B 562 TYR Y T T < TS+ 0 0 -102.5 2.8 -179.5 78.7 98.0 68.0 43 -1.9 0 0.0 0 0.0 0 0.0 9 39
47 B 563 LYS K t < T - 0 0 -116.7 133.8 178.9 -179.4 47.8 159.2 44 -1.5 0 0.0 0 0.0 0 0.0 11 33
48 B 564 PHE F B B A > T - 51 0 -128.9 72.6 -176.8 -85.3 63.6 132.3 51 -2.5 51 -2.5 0 0.0 0 0.0 7 23
49 B 565 ASN N T T 3 TS- 0 0 58.5 -121.8 -178.8 -7.4 110.7 115.7 0 0.0 0 0.0 0 0.0 0 0.0 5 19
50 B 566 HIS H T T 3 TS+ 0 0 -80.9 -6.5 178.6 90.1 120.8 55.3 0 0.0 52 -0.6 0 0.0 0 0.0 5 23
51 B 567 LEU L B B A < T + 48 0 -91.9 120.2 179.3 171.0 49.1 144.3 48 -2.5 48 -2.5 0 0.0 0 0.0 7 22
52 B 568 VAL V - 0 0 -131.6 88.4 -179.6 -147.4 22.6 141.5 50 -0.6 5 -2.8 0 0.0 0 0.0 13 32
53 B 569 PRO P - 0 0 -54.6 144.3 179.6 -92.6 32.1 99.6 0 0.0 0 0.0 0 0.0 0 0.0 9 32
54 B 570 ARG R - 0 0 -59.8 141.1 -179.8 -109.3 45.4 107.3 0 0.0 0 0.0 0 0.0 0 0.0 10 41
55 B 571 LEU L - 0 0 -73.6 145.6 -178.7 -148.8 32.4 117.4 0 0.0 373 -1.9 0 0.0 0 0.0 9 48
56 B 572 VAL V - 0 0 -124.7 128.9 176.6 -144.6 11.3 164.8 0 0.0 58 -0.6 0 0.0 0 0.0 8 48
57 B 573 LEU L - 0 0 -84.8 121.2 -178.5 -132.6 26.9 142.8 0 0.0 59 -2.5 0 0.0 0 0.0 8 55
58 B 574 GLN Q h > T + 0 0 -78.1 65.5 -179.3 166.6 39.8 111.8 56 -0.6 62 -2.3 0 0.0 0 0.0 9 46
59 B 575 ARG R H H > T + 0 0 -44.3 -57.2 -178.5 49.6 68.6 30.1 57 -2.5 63 -3.0 0 0.0 0 0.0 8 48
60 B 576 GLU E H H > TS+ 0 0 -58.4 -39.2 179.0 49.0 111.2 29.8 0 0.0 64 -2.1 0 0.0 0 0.0 7 33
61 B 577 LYS K H H > TS+ 0 0 -66.4 -44.7 -179.9 46.5 113.7 20.7 0 0.0 65 -1.9 0 0.0 0 0.0 11 36
62 B 578 HIS H H H X TS+ 0 0 -62.6 -42.1 179.6 54.4 110.6 23.6 58 -2.3 66 -2.6 0 0.0 0 0.0 12 53
63 B 579 PHE F H H X TS+ 0 0 -57.6 -49.1 -179.4 46.6 108.6 22.7 59 -3.0 67 -3.2 0 0.0 0 0.0 12 43
64 B 580 HIS H H H X TS+ 0 0 -63.8 -36.5 178.4 50.6 112.5 29.7 60 -2.1 68 -1.9 0 0.0 0 0.0 9 37
65 B 581 TYR Y H H X TS+ 0 0 -65.2 -45.9 179.9 43.0 115.4 21.4 61 -1.9 69 -2.0 0 0.0 0 0.0 11 44
66 B 582 LEU L H H X TS+ 0 0 -65.8 -47.0 -179.8 54.0 111.0 23.3 62 -2.6 70 -1.7 0 0.0 0 0.0 13 53
67 B 583 LYS K H H < TS+ 0 0 -55.7 -42.6 179.8 47.2 111.0 26.4 63 -3.2 0 0.0 0 0.0 0 0.0 9 44
68 B 584 ARG R H H X > TS+ 0 0 -67.0 -45.1 -179.1 52.5 109.3 22.8 64 -1.9 72 -1.8 0 0.0 71 -1.3 8 34
69 B 585 GLY G H H < 3 TS+ 0 0 -63.7 -27.1 -178.8 68.2 96.3 38.9 65 -2.0 0 0.0 0 0.0 0 0.0 9 47
70 B 586 LEU L T h < 3 TS+ 0 0 -66.6 -21.0 179.8 30.7 112.2 43.1 66 -1.7 0 0.0 0 0.0 0 0.0 9 52
71 B 587 ARG R T T 4 < TS+ 0 0 -102.4 -55.8 -178.8 5.1 126.0 30.0 68 -1.3 0 0.0 0 0.0 0 0.0 6 36
72 B 588 GLN Q t < T - 0 0 -136.9 160.2 -179.2 -170.7 51.0 158.1 68 -1.8 0 0.0 0 0.0 0 0.0 6 27
73 B 589 LEU L - 0 0 -145.2 151.0 179.3 -112.0 27.2 169.9 0 0.0 0 0.0 0 0.0 0 0.0 7 28
74 B 590 THR T g > T - 0 0 -76.1 170.4 179.9 -94.6 45.3 105.1 0 0.0 77 -2.3 0 0.0 0 0.0 6 19
75 B 591 ASP D G G > TS+ 0 0 -64.4 -3.6 178.4 87.6 114.8 57.1 0 0.0 78 -1.8 0 0.0 0 0.0 5 15
76 B 592 ALA A G G 3 TS+ 0 0 -66.0 -18.7 179.8 57.6 84.1 43.8 0 0.0 0 0.0 0 0.0 0 0.0 6 18
77 B 593 TYR Y G G X T + 0 0 -96.6 15.4 178.6 104.5 69.5 78.9 74 -2.3 80 -1.8 0 0.0 0 0.0 8 27
78 B 594 GLU E G G X TS+ 0 0 -63.6 -27.0 -179.8 66.1 73.3 34.6 75 -1.8 81 -1.7 0 0.0 0 0.0 7 19
79 B 595 CYS C G G 3 TS+ 0 0 -69.4 -10.5 179.4 47.5 102.2 52.8 0 0.0 0 0.0 0 0.0 0 0.0 6 19
80 B 596 LEU L G G X TS+ 0 0 -114.6 17.6 -179.4 114.3 73.2 83.0 77 -1.8 83 -2.2 0 0.0 0 0.0 7 33
81 B 597 ASP D T g < TS+ 0 0 -63.5 -15.3 179.3 49.5 81.0 48.3 78 -1.7 0 0.0 0 0.0 0 0.0 9 33
82 B 598 ALA A T T 3 TS+ 0 0 -109.0 19.7 179.9 50.5 111.0 83.6 0 0.0 0 0.0 0 0.0 0 0.0 9 40
83 B 599 SER S h > X T + 0 0 -144.1 32.6 -178.5 130.7 62.3 92.1 80 -2.2 87 -1.3 0 0.0 86 -0.8 11 50
84 B 600 ARG R H H > 3 TS+ 0 0 -62.7 -33.7 179.0 58.6 71.8 31.6 126 -2.1 88 -2.0 0 0.0 0 0.0 11 58
85 B 601 PRO P H H > 3 TS+ 0 0 -64.5 -26.1 178.3 57.1 102.9 32.2 0 0.0 89 -2.4 0 0.0 0 0.0 16 66
86 B 602 TRP W H H > < TS+ 0 0 -66.5 -41.6 179.0 51.5 103.5 25.9 83 -0.8 90 -3.3 0 0.0 0 0.0 10 60
87 B 603 LEU L H H X TS+ 0 0 -61.2 -41.4 179.3 49.9 110.2 23.3 83 -1.3 91 -2.2 0 0.0 0 0.0 11 60
88 B 604 CYS C H H X TS+ 0 0 -61.0 -48.2 -179.7 43.8 114.9 20.2 84 -2.0 92 -2.7 0 0.0 0 0.0 13 69
89 B 605 TYR Y H H X TS+ 0 0 -63.5 -52.6 -179.5 48.9 113.2 18.7 85 -2.4 93 -2.8 0 0.0 0 0.0 12 68
90 B 606 TRP W H H X TS+ 0 0 -55.9 -43.2 -179.3 42.6 117.4 25.9 86 -3.3 94 -1.6 0 0.0 0 0.0 12 65
91 B 607 ILE I H H X TS+ 0 0 -70.9 -47.2 179.8 46.3 115.9 20.4 87 -2.2 95 -2.4 0 0.0 0 0.0 14 69
92 B 608 LEU L H H X TS+ 0 0 -63.7 -38.5 180.0 48.6 114.2 28.8 88 -2.7 96 -2.3 0 0.0 0 0.0 11 70
93 B 609 HIS H H H X TS+ 0 0 -70.8 -35.2 178.8 50.9 110.6 30.4 89 -2.8 97 -2.5 0 0.0 0 0.0 12 72
94 B 610 SER S H H X TS+ 0 0 -66.1 -44.5 179.7 46.2 112.6 21.8 90 -1.6 98 -2.1 0 0.0 0 0.0 13 70
95 B 611 LEU L H H < >TS+ 0 0 -63.5 -40.7 178.7 52.1 112.0 26.4 91 -2.4 100 -3.0 0 0.0 0 0.0 13 65
96 B 612 GLU E H H < >5TS+ 0 0 -61.4 -44.6 179.8 48.8 109.3 23.0 92 -2.3 99 -1.4 0 0.0 0 0.0 12 59
97 B 613 LEU L H H < 35TS+ 0 0 -63.2 -37.1 -180.0 50.6 110.9 28.7 93 -2.5 379 -2.7 0 0.0 0 0.0 15 62
98 B 614 LEU L T h < 35TS- 0 0 -80.7 2.9 -179.9 -122.0 113.5 67.7 94 -2.1 0 0.0 0 0.0 0 0.0 10 53
99 B 615 ASP D T T <5T + 0 0 56.1 40.9 178.8 154.8 58.4 27.3 96 -1.4 0 0.0 0 0.0 0 0.0 8 42
100 B 616 GLU E t T - 0 0 -52.4 143.3 -179.6 -121.3 18.6 101.4 0 0.0 107 -2.6 0 0.0 0 0.0 6 27
104 B 620 GLN Q H H > TS+ 0 0 -55.0 -41.7 -179.9 52.3 113.2 28.3 0 0.0 108 -2.5 0 0.0 0 0.0 6 23
105 B 621 ILE I H H > TS+ 0 0 -61.9 -46.2 179.3 46.4 110.3 22.9 0 0.0 109 -2.2 0 0.0 0 0.0 6 21
106 B 622 VAL V H H > TS+ 0 0 -62.3 -42.1 -179.7 53.4 111.9 24.5 0 0.0 110 -2.5 0 0.0 0 0.0 8 36
107 B 623 ALA A H H X TS+ 0 0 -59.4 -47.7 180.0 45.0 110.5 22.9 103 -2.6 111 -2.2 0 0.0 0 0.0 10 42
108 B 624 THR T H H X TS+ 0 0 -66.4 -36.2 178.9 53.7 111.5 29.0 104 -2.5 112 -2.5 0 0.0 0 0.0 10 33
109 B 625 ASP D H H X TS+ 0 0 -64.6 -41.8 179.0 49.1 108.4 24.4 105 -2.2 113 -2.3 0 0.0 0 0.0 8 38
110 B 626 VAL V H H X TS+ 0 0 -62.1 -45.1 179.0 51.7 110.7 20.5 106 -2.5 114 -2.7 0 0.0 0 0.0 9 56
111 B 627 CYS C H H X TS+ 0 0 -55.6 -49.3 -179.5 48.0 110.1 21.5 107 -2.2 115 -2.0 0 0.0 0 0.0 12 49
112 B 628 GLN Q H H X TS+ 0 0 -60.7 -40.8 179.6 50.0 112.2 27.0 108 -2.5 116 -1.5 0 0.0 0 0.0 8 40
113 B 629 PHE F H H X TS+ 0 0 -65.3 -44.9 -179.9 47.8 110.5 23.0 109 -2.3 117 -1.0 0 0.0 0 0.0 8 49
114 B 630 LEU L H H X TS+ 0 0 -66.7 -29.3 178.1 57.8 107.1 34.2 110 -2.7 118 -0.9 0 0.0 0 0.0 11 63
115 B 631 GLU E H H < > TS+ 0 0 -65.5 -37.0 179.4 51.8 104.7 26.2 111 -2.0 118 -0.6 0 0.0 0 0.0 9 50
116 B 632 LEU L H H < 3 TS+ 0 0 -69.6 -23.9 179.5 52.7 107.7 41.0 112 -1.5 129 -0.8 0 0.0 0 0.0 10 39
117 B 633 CYS C H H < 3 TS+ 0 0 -85.1 -15.4 -178.9 104.3 86.5 51.3 113 -1.0 125 -2.6 0 0.0 0 0.0 14 50
118 B 634 GLN Q B h < B < T - 124 0 -73.0 131.2 -179.3 -133.9 69.0 120.9 114 -0.9 0 0.0 115 -0.6 0 0.0 13 56
119 B 635 SER S t > T - 0 0 -85.9 145.1 179.5 -128.8 11.3 125.5 123 -2.7 122 -2.1 0 0.0 0 0.0 13 44
120 B 636 PRO P T T 3 TS+ 0 0 -63.7 -19.9 179.2 57.5 112.6 41.3 0 0.0 0 0.0 0 0.0 0 0.0 6 33
121 B 637 GLU E T T 3 TS- 0 0 -87.0 -1.6 -179.6 -94.2 126.0 61.1 0 0.0 0 0.0 0 0.0 0 0.0 9 33
122 B 638 GLY G S t < TS+ 0 0 104.6 153.9 -179.6 57.6 84.8 95.2 119 -2.1 0 0.0 0 0.0 0 0.0 15 50
123 B 639 GLY G S S S- 0 0 80.5 175.1 179.8 -80.1 80.5 95.8 0 0.0 119 -2.7 0 0.0 0 0.0 15 67
124 B 640 PHE F B B B - 118 0 -119.5 149.4 178.3 -147.9 32.6 153.3 0 0.0 133 -2.5 0 0.0 0 0.0 15 67
125 B 641 GLY G B B C - 132 0 -104.6 177.0 -179.0 -96.7 36.8 121.3 117 -2.6 0 0.0 0 0.0 0 0.0 18 51
126 B 642 GLY G S S S- 0 0 -71.1 -10.1 180.0 -13.1 101.4 54.1 131 -0.5 84 -2.1 0 0.0 0 0.0 15 46
127 B 643 GLY G S t > TS- 0 0 -174.2 172.9 -179.9 -45.5 101.9 163.3 0 0.0 130 -2.0 0 0.0 0 0.0 12 42
128 B 644 PRO P T T 3 TS+ 0 0 -56.9 129.9 178.7 9.3 124.7 107.1 0 0.0 0 0.0 0 0.0 0 0.0 8 34
129 B 645 GLY G T T 3 TS+ 0 0 84.2 -7.6 179.5 127.5 97.3 68.7 116 -0.8 0 0.0 0 0.0 0 0.0 8 28
130 B 646 GLN Q t < T - 0 0 -81.5 154.5 178.6 -98.1 68.5 118.8 127 -2.0 0 0.0 0 0.0 0 0.0 10 34
131 B 647 TYR Y - 0 0 -66.4 152.7 179.6 -94.1 49.2 109.8 0 0.0 126 -0.5 0 0.0 0 0.0 8 41
132 B 648 PRO P B B C - 125 0 -68.8 153.2 -179.2 -176.3 44.5 110.1 0 0.0 0 0.0 0 0.0 0 0.0 15 57
133 B 649 HIS H h > T - 0 0 -149.8 140.1 -178.4 -126.0 32.6 169.2 124 -2.5 137 -1.8 0 0.0 0 0.0 13 60
134 B 650 LEU L H H > TS+ 0 0 -61.4 -29.5 -179.3 59.1 105.0 36.9 177 -3.2 138 -2.3 0 0.0 0 0.0 13 63
135 B 651 ALA A H H > TS+ 0 0 -66.3 -57.7 179.4 35.1 112.7 10.5 0 0.0 139 -2.1 0 0.0 0 0.0 10 63
136 B 652 PRO P H H > TS+ 0 0 -67.5 -23.0 178.4 59.5 115.4 37.8 0 0.0 140 -2.9 0 0.0 0 0.0 15 62
137 B 653 THR T H H X TS+ 0 0 -66.3 -45.9 178.4 46.8 106.3 20.8 133 -1.8 141 -2.4 0 0.0 0 0.0 15 73
138 B 654 TYR Y H H X TS+ 0 0 -58.9 -46.9 -179.2 46.3 115.6 22.0 134 -2.3 142 -2.1 0 0.0 0 0.0 12 71
139 B 655 ALA A H H X TS+ 0 0 -64.7 -42.6 -179.6 50.8 111.3 27.2 135 -2.1 143 -2.5 0 0.0 0 0.0 12 68
140 B 656 ALA A H H X TS+ 0 0 -63.2 -44.9 180.0 47.6 111.4 23.2 136 -2.9 144 -2.5 0 0.0 0 0.0 14 71
141 B 657 VAL V H H X TS+ 0 0 -64.1 -41.2 178.7 48.8 112.8 25.9 137 -2.4 145 -1.9 0 0.0 0 0.0 10 81
142 B 658 ASN N H H X TS+ 0 0 -64.4 -42.0 179.9 49.9 111.6 24.1 138 -2.1 146 -1.8 0 0.0 0 0.0 12 74
143 B 659 ALA A H H X TS+ 0 0 -61.9 -46.4 179.6 49.4 110.4 22.3 139 -2.5 147 -1.9 0 0.0 0 0.0 13 73
144 B 660 LEU L H H X TS+ 0 0 -61.7 -36.9 179.6 50.3 111.0 30.5 140 -2.5 148 -2.1 0 0.0 0 0.0 11 69
145 B 661 CYS C H H < TS+ 0 0 -72.8 -29.1 178.2 55.9 105.5 36.1 141 -1.9 0 0.0 0 0.0 0 0.0 14 67
146 B 662 ILE I H H < TS+ 0 0 -67.9 -40.5 178.2 46.6 109.1 24.4 142 -1.8 0 0.0 0 0.0 0 0.0 12 69
147 B 663 ILE I H H < TS- 0 0 -63.9 -44.3 176.3 -172.7 92.2 20.5 143 -1.9 0 0.0 0 0.0 0 0.0 9 59
148 B 664 GLY G h < T + 0 0 62.7 22.2 179.1 134.9 27.5 49.9 144 -2.1 0 0.0 0 0.0 0 0.0 11 50
149 B 665 THR T h > T - 0 0 -97.3 159.7 179.3 -115.4 68.7 129.4 0 0.0 153 -2.8 0 0.0 0 0.0 7 40
150 B 666 GLU E H H > TS+ 0 0 -60.0 -33.3 178.9 58.8 120.0 29.6 0 0.0 154 -2.8 0 0.0 0 0.0 6 36
151 B 667 GLU E H H > TS+ 0 0 -59.4 -46.7 179.9 43.2 108.7 21.0 0 0.0 155 -0.5 0 0.0 0 0.0 8 32
152 B 668 ALA A H H > > TS+ 0 0 -64.9 -48.5 179.9 49.4 114.5 19.8 0 0.0 155 -1.1 0 0.0 156 -0.6 13 50
153 B 669 TYR Y H H < > TS+ 0 0 -57.2 -45.8 -177.6 53.4 108.3 25.6 149 -2.8 156 -1.0 0 0.0 0 0.0 11 54
154 B 670 ASP D H H < 3 TS+ 0 0 -70.9 -10.0 178.0 76.2 89.7 55.7 150 -2.8 0 0.0 0 0.0 0 0.0 7 49
155 B 671 ILE I H H < < TS+ 0 0 -66.2 -36.3 -178.5 92.3 76.9 27.5 152 -1.1 0 0.0 151 -0.5 0 0.0 8 47
156 B 672 ILE I S h < < TS- 0 0 -64.9 121.7 177.8 -145.0 73.0 113.3 153 -1.0 158 -1.4 152 -0.6 0 0.0 10 64
157 B 673 ASN N h > T - 0 0 -87.4 93.9 -177.8 -177.5 21.4 137.8 0 0.0 161 -2.0 0 0.0 0 0.0 9 48
158 B 674 ARG R H H > TS+ 0 0 -63.7 -39.2 179.5 56.4 74.5 31.5 156 -1.4 162 -2.1 0 0.0 0 0.0 10 54
159 B 675 GLU E H H > TS+ 0 0 -58.8 -50.9 -179.4 39.3 114.2 17.1 0 0.0 163 -1.7 0 0.0 0 0.0 9 38
160 B 676 LYS K H H > TS+ 0 0 -69.4 -32.4 179.5 60.1 110.5 34.6 0 0.0 164 -2.6 0 0.0 0 0.0 11 43
161 B 677 LEU L H H X TS+ 0 0 -61.7 -45.3 -179.8 45.3 107.3 21.7 157 -2.0 165 -2.4 0 0.0 0 0.0 12 62
162 B 678 LEU L H H X TS+ 0 0 -65.1 -42.5 178.8 50.1 113.0 23.7 158 -2.1 166 -2.3 0 0.0 0 0.0 13 53
163 B 679 GLN Q H H X TS+ 0 0 -61.2 -40.5 179.3 52.2 110.0 24.9 159 -1.7 167 -2.0 0 0.0 0 0.0 10 45
164 B 680 TYR Y H H X TS+ 0 0 -61.5 -47.1 179.5 50.2 107.6 21.3 160 -2.6 168 -0.5 0 0.0 0 0.0 11 52
165 B 681 LEU L H H X > TS+ 0 0 -58.6 -42.3 178.8 52.3 109.4 22.2 161 -2.4 168 -1.6 0 0.0 169 -0.9 10 67
166 B 682 TYR Y H H < > TS+ 0 0 -59.0 -39.3 -179.0 58.8 103.2 26.4 162 -2.3 169 -0.8 0 0.0 0 0.0 8 49
167 B 683 SER S H H < 3 TS+ 0 0 -67.7 -9.6 179.9 42.7 110.4 54.0 163 -2.0 0 0.0 0 0.0 0 0.0 7 42
168 B 684 LEU L H H < < TS+ 0 0 -111.4 -10.2 -178.3 113.7 86.5 59.3 165 -1.6 176 -2.0 164 -0.5 0 0.0 11 50
169 B 685 LYS K B h < D < T - 175 0 -71.5 126.3 179.7 -153.6 52.0 119.3 165 -0.9 0 0.0 166 -0.8 0 0.0 11 48
170 B 686 GLN Q t > T - 0 0 -97.4 153.5 -180.0 -116.9 24.4 131.0 174 -3.2 173 -1.8 0 0.0 0 0.0 8 36
171 B 687 PRO P T T 3 TS+ 0 0 -61.1 -25.5 -179.9 60.6 112.3 40.3 0 0.0 0 0.0 0 0.0 0 0.0 6 23
172 B 688 ASP D T T 3 TS- 0 0 -84.3 5.8 179.2 -99.4 124.3 67.1 0 0.0 0 0.0 0 0.0 0 0.0 7 30
173 B 689 GLY G S t < TS+ 0 0 99.3 -15.2 -179.6 115.1 87.4 77.9 170 -1.8 0 0.0 0 0.0 0 0.0 13 45
174 B 690 SER S - 0 0 -83.2 172.7 178.6 -135.3 54.7 105.6 0 0.0 170 -3.2 0 0.0 0 0.0 16 51
175 B 691 PHE F B B D - 169 0 -129.0 146.9 176.0 -123.3 13.0 164.6 0 0.0 184 -0.6 0 0.0 0 0.0 12 59
176 B 692 LEU L B B E - 183 0 -80.3 152.2 178.4 -129.9 21.9 124.7 168 -2.0 0 0.0 0 0.0 0 0.0 14 45
177 B 693 MET M S S S- 0 0 -72.3 -27.9 178.5 -19.9 86.6 36.8 182 -2.5 134 -3.2 0 0.0 0 0.0 14 49
178 B 694 HIS H S t > TS- 0 0 -166.8 168.2 -179.2 -53.1 99.3 162.9 0 0.0 181 -2.8 0 0.0 0 0.0 10 46
179 B 695 VAL V T T 3 TS+ 0 0 -55.4 126.4 -179.0 2.4 129.6 108.0 0 0.0 0 0.0 0 0.0 0 0.0 8 37
180 B 696 GLY G T T 3 TS+ 0 0 67.4 20.4 -178.7 129.6 113.7 44.3 0 0.0 0 0.0 0 0.0 0 0.0 5 22
181 B 697 GLY G t < T - 0 0 -103.2 179.8 -178.7 -81.5 61.1 113.4 178 -2.8 0 0.0 0 0.0 0 0.0 7 28
182 B 698 GLU E - 0 0 -77.4 160.9 178.2 -133.6 36.0 106.4 0 0.0 177 -2.5 0 0.0 0 0.0 7 26
183 B 699 VAL V B B E + 176 0 -121.9 135.8 176.4 131.9 39.0 164.1 0 0.0 0 0.0 0 0.0 0 0.0 11 42
184 B 700 ASP D h > > T - 0 0 -165.4 168.0 -176.1 -80.2 69.4 159.7 175 -0.6 187 -1.8 0 0.0 188 -0.6 12 54
185 B 701 VAL V H H > 3 TS+ 0 0 -54.4 -21.0 179.0 75.8 115.4 46.8 225 -2.4 189 -1.6 0 0.0 0 0.0 15 62
186 B 702 ARG R H H > 3 TS+ 0 0 -58.0 -38.6 -178.5 56.2 91.4 26.1 0 0.0 190 -2.7 0 0.0 0 0.0 13 59
187 B 703 SER S H H > < TS+ 0 0 -61.0 -44.3 -179.8 52.5 103.2 24.0 184 -1.8 191 -2.8 0 0.0 0 0.0 14 64
188 B 704 ALA A H H X TS+ 0 0 -59.2 -41.9 179.7 44.5 113.4 25.9 184 -0.6 192 -2.6 0 0.0 0 0.0 14 75
189 B 705 TYR Y H H X TS+ 0 0 -69.2 -45.7 179.5 50.2 112.3 22.7 185 -1.6 193 -2.8 0 0.0 0 0.0 12 71
190 B 706 CYS C H H X TS+ 0 0 -58.1 -45.5 179.8 44.4 115.5 21.0 186 -2.7 194 -2.2 0 0.0 0 0.0 12 73
191 B 707 ALA A H H X TS+ 0 0 -64.3 -50.1 -179.7 46.2 115.1 20.3 187 -2.8 195 -2.5 0 0.0 0 0.0 12 72
192 B 708 ALA A H H X TS+ 0 0 -61.7 -39.2 -179.7 52.6 112.5 28.2 188 -2.6 196 -2.1 0 0.0 0 0.0 11 69
193 B 709 SER S H H X TS+ 0 0 -62.8 -56.3 -178.9 37.2 115.1 12.9 189 -2.8 197 -2.2 0 0.0 0 0.0 13 68
194 B 710 VAL V H H X TS+ 0 0 -66.1 -36.0 -179.2 52.2 117.2 29.7 190 -2.2 198 -2.2 0 0.0 0 0.0 12 77
195 B 711 ALA A H H < >TS+ 0 0 -68.3 -39.5 179.5 44.4 112.2 28.0 191 -2.5 200 -2.5 0 0.0 201 -0.6 11 71
196 B 712 SER S H H < >5TS+ 0 0 -72.0 -42.7 179.1 49.1 114.3 24.0 192 -2.1 199 -0.7 0 0.0 0 0.0 11 57
197 B 713 LEU L H H < 35TS+ 0 0 -62.0 -43.4 -178.0 39.2 118.2 23.1 193 -2.2 0 0.0 0 0.0 0 0.0 10 66
198 B 714 THR T T h < 35TS- 0 0 -89.9 5.1 179.4 -122.6 109.0 68.2 194 -2.2 0 0.0 0 0.0 0 0.0 11 60
199 B 715 ASN N T T <5TS+ 0 0 53.9 57.4 178.8 126.4 71.7 19.1 196 -0.7 0 0.0 0 0.0 0 0.0 12 47
200 B 716 ILE I t T - 0 0 -110.6 161.5 -180.0 -107.2 36.0 139.4 0 0.0 206 -0.7 0 0.0 0 0.0 8 39
203 B 719 PRO P T T 4 TS+ 0 0 -58.1 -33.7 -178.7 40.2 118.9 32.8 0 0.0 0 0.0 0 0.0 0 0.0 6 29
204 B 720 ASP D T T 4 > TS+ 0 0 -91.6 -16.5 -179.3 86.3 91.2 48.5 0 0.0 207 -1.7 0 0.0 0 0.0 5 34
205 B 721 LEU L T T 4 3 TS+ 0 0 -50.2 -47.2 -179.1 28.5 103.9 26.8 0 0.0 0 0.0 0 0.0 0 0.0 9 49
206 B 722 PHE F T T X > TS+ 0 0 -105.1 23.3 178.8 145.5 83.7 83.7 202 -0.7 209 -1.5 0 0.0 210 -0.7 10 52
207 B 723 GLU E T T 4 < TS+ 0 0 -61.8 124.1 180.0 4.1 80.7 115.3 204 -1.7 0 0.0 0 0.0 0 0.0 8 34
208 B 724 GLY G T h > 3 TS+ 0 0 85.0 -15.7 -178.6 109.4 101.3 77.7 0 0.0 212 -2.1 0 0.0 0 0.0 10 39
209 B 725 THR T H H > < TS+ 0 0 -60.3 -47.5 179.6 51.7 74.3 23.6 206 -1.5 213 -2.5 0 0.0 0 0.0 11 57
210 B 726 ALA A H H X TS+ 0 0 -57.0 -42.2 179.9 48.3 111.6 25.7 206 -0.7 214 -2.2 0 0.0 0 0.0 13 51
211 B 727 GLU E H H > TS+ 0 0 -66.2 -40.0 179.7 51.4 110.0 27.4 0 0.0 215 -1.6 0 0.0 0 0.0 9 43
212 B 728 TRP W H H X TS+ 0 0 -63.9 -41.7 -179.8 50.0 109.9 23.6 208 -2.1 216 -0.6 0 0.0 0 0.0 11 50
213 B 729 ILE I H H X > TS+ 0 0 -63.0 -44.4 179.7 54.0 106.9 22.0 209 -2.5 216 -1.7 0 0.0 217 -0.6 12 64
214 B 730 ALA A H H < > TS+ 0 0 -58.4 -35.1 179.0 59.9 101.5 30.8 210 -2.2 217 -1.3 0 0.0 0 0.0 9 55
215 B 731 ARG R H H < 3 TS+ 0 0 -65.6 -19.3 179.6 60.9 98.2 44.3 211 -1.6 0 0.0 0 0.0 0 0.0 9 46
216 B 732 CYS C H H < < TS+ 0 0 -82.1 -17.5 177.4 94.8 80.5 49.6 213 -1.7 224 -2.8 212 -0.6 0 0.0 14 53
217 B 733 GLN Q B h < F < T - 223 0 -71.4 136.4 -178.5 -165.2 67.1 126.1 214 -1.3 0 0.0 213 -0.6 0 0.0 15 54
218 B 734 ASN N t > T - 0 0 -117.4 -171.0 -179.1 -73.7 37.3 119.2 222 -2.3 221 -1.9 0 0.0 0 0.0 14 40
219 B 735 TRP W T T 3 TS+ 0 0 -54.9 -22.4 -179.4 61.8 124.4 46.9 0 0.0 0 0.0 0 0.0 0 0.0 5 31
220 B 736 GLU E T T 3 TS- 0 0 -78.1 -24.3 -178.7 -118.1 110.8 43.1 0 0.0 0 0.0 0 0.0 0 0.0 10 38
221 B 737 GLY G S t < TS+ 0 0 108.3 -27.7 178.5 95.8 85.3 90.5 218 -1.9 0 0.0 0 0.0 0 0.0 14 49
222 B 738 GLY G S S S- 0 0 -82.4 -174.4 -178.3 -102.4 78.7 98.5 0 0.0 218 -2.3 0 0.0 0 0.0 15 61
223 B 739 ILE I B B F - 217 0 -119.1 137.3 179.7 -151.6 26.7 157.8 0 0.0 232 -2.4 0 0.0 0 0.0 15 61
224 B 740 GLY G - 0 0 -100.7 170.7 -179.3 -100.3 34.5 122.2 216 -2.8 0 0.0 0 0.0 0 0.0 16 49
225 B 741 GLY G S S S- 0 0 -56.3 -38.3 178.7 -4.0 105.1 32.2 0 0.0 185 -2.4 0 0.0 0 0.0 13 46
226 B 742 VAL V S t > TS- 0 0 -147.0 166.2 179.9 -59.5 105.4 156.9 0 0.0 229 -2.0 0 0.0 0 0.0 10 46
227 B 743 PRO P T T 3 TS+ 0 0 -54.2 132.5 179.9 22.1 123.0 105.7 0 0.0 0 0.0 0 0.0 0 0.0 9 39
228 B 744 GLY G T T 3 TS+ 0 0 99.8 -25.7 -177.9 120.0 97.0 89.2 0 0.0 0 0.0 0 0.0 0 0.0 7 25
229 B 745 MET M S t < TS- 0 0 -80.6 157.8 -179.1 -84.5 70.8 108.7 226 -2.0 0 0.0 0 0.0 0 0.0 10 32
230 B 746 GLU E - 0 0 -56.3 140.2 179.5 -101.8 49.4 100.8 0 0.0 0 0.0 0 0.0 0 0.0 10 37
231 B 747 ALA A + 0 0 -66.8 131.4 178.9 180.0 45.2 117.0 0 0.0 0 0.0 0 0.0 0 0.0 15 52
232 B 748 HIS H h > T - 0 0 -137.7 138.6 -179.5 -129.6 35.8 177.6 223 -2.4 236 -2.7 0 0.0 0 0.0 12 58
233 B 749 GLY G H H > TS+ 0 0 -52.2 -38.7 180.0 55.0 108.4 31.7 274 -2.8 237 -2.5 0 0.0 0 0.0 15 65
234 B 750 GLY G H H > TS+ 0 0 -62.0 -50.2 179.9 37.1 114.2 18.4 0 0.0 238 -1.9 0 0.0 0 0.0 10 63
235 B 751 TYR Y H H > TS+ 0 0 -73.0 -27.8 179.2 56.9 115.0 38.0 0 0.0 239 -2.6 0 0.0 0 0.0 13 60
236 B 752 THR T H H X TS+ 0 0 -70.4 -41.3 177.5 47.5 107.2 25.4 232 -2.7 240 -2.6 0 0.0 0 0.0 16 75
237 B 753 PHE F H H X TS+ 0 0 -62.2 -50.0 180.0 48.5 113.7 15.7 233 -2.5 241 -2.8 0 0.0 0 0.0 12 71
238 B 754 CYS C H H X TS+ 0 0 -55.0 -47.0 -179.1 47.1 113.7 22.9 234 -1.9 242 -2.0 0 0.0 0 0.0 12 70
239 B 755 GLY G H H X TS+ 0 0 -63.1 -50.8 -179.0 39.4 117.0 19.5 235 -2.6 243 -2.1 0 0.0 0 0.0 14 72
240 B 756 LEU L H H X TS+ 0 0 -69.0 -40.5 180.0 51.9 115.2 25.0 236 -2.6 244 -2.4 0 0.0 0 0.0 11 74
241 B 757 ALA A H H X TS+ 0 0 -62.6 -39.4 179.2 49.3 110.9 25.3 237 -2.8 245 -1.9 0 0.0 0 0.0 14 69
242 B 758 ALA A H H X TS+ 0 0 -64.8 -44.1 -179.9 48.8 111.4 21.5 238 -2.0 246 -2.1 0 0.0 0 0.0 13 68
243 B 759 LEU L H H X >TS+ 0 0 -64.5 -35.2 178.9 54.8 107.7 30.8 239 -2.1 248 -2.9 0 0.0 247 -0.6 12 62
244 B 760 VAL V H H < >5TS+ 0 0 -63.6 -42.2 179.1 49.3 108.2 23.1 240 -2.4 247 -0.8 0 0.0 0 0.0 12 54
245 B 761 ILE I H H < 35TS+ 0 0 -62.0 -41.2 -179.7 44.4 114.8 25.2 241 -1.9 0 0.0 0 0.0 0 0.0 11 56
246 B 762 LEU L H H < 35TS- 0 0 -81.6 -3.5 -179.3 -125.1 110.5 60.9 242 -2.1 0 0.0 0 0.0 0 0.0 9 48
247 B 763 LYS K T h < <5TS+ 0 0 60.1 39.5 -179.8 114.9 80.2 28.3 244 -0.8 0 0.0 243 -0.6 0 0.0 6 39
248 B 764 ARG R g > T + 0 0 -53.1 -36.2 -179.4 69.8 66.1 33.7 0 0.0 252 -2.2 0 0.0 0 0.0 11 53
250 B 766 ARG R G G 3 TS+ 0 0 -60.9 -9.9 179.1 80.0 77.5 54.7 0 0.0 0 0.0 0 0.0 0 0.0 7 39
251 B 767 SER S G G < TS+ 0 0 -70.6 -16.0 -179.8 67.8 90.0 46.2 248 -2.3 0 0.0 0 0.0 0 0.0 8 41
252 B 768 LEU L S g < TS- 0 0 -100.5 164.5 175.7 -109.7 95.5 125.5 249 -2.2 254 -1.2 0 0.0 0 0.0 8 51
253 B 769 ASN N h > T - 0 0 -90.6 95.8 -178.2 -173.6 37.1 144.8 0 0.0 257 -1.6 0 0.0 0 0.0 8 40
254 B 770 LEU L H H > TS+ 0 0 -65.8 -25.2 179.9 60.3 76.2 40.5 252 -1.2 258 -2.3 0 0.0 0 0.0 9 49
255 B 771 LYS K H H > TS+ 0 0 -68.1 -49.9 -179.5 40.9 108.0 19.4 0 0.0 259 -2.2 0 0.0 0 0.0 7 38
256 B 772 SER S H H > TS+ 0 0 -68.9 -30.1 179.5 52.8 115.7 33.8 0 0.0 260 -1.8 0 0.0 0 0.0 10 37
257 B 773 LEU L H H X TS+ 0 0 -69.9 -44.5 180.0 48.5 109.4 22.4 253 -1.6 261 -2.7 0 0.0 0 0.0 12 60
258 B 774 LEU L H H X TS+ 0 0 -61.2 -47.0 -179.6 47.0 112.7 21.9 254 -2.3 262 -2.2 0 0.0 0 0.0 11 52
259 B 775 GLN Q H H X TS+ 0 0 -64.3 -36.7 179.5 51.2 113.2 27.0 255 -2.2 263 -1.3 0 0.0 0 0.0 9 40
260 B 776 TRP W H H X TS+ 0 0 -65.6 -52.9 -178.8 43.3 111.8 16.5 256 -1.8 264 -0.6 0 0.0 0 0.0 11 48
261 B 777 VAL V H H < > TS+ 0 0 -63.0 -41.9 179.4 52.7 111.8 24.4 257 -2.7 264 -1.4 0 0.0 0 0.0 13 64
262 B 778 THR T H H < > TS+ 0 0 -61.9 -30.9 179.3 56.9 105.6 31.5 258 -2.2 265 -1.2 0 0.0 0 0.0 9 55
263 B 779 SER S H H < 3 TS+ 0 0 -72.4 -16.0 -179.4 70.6 93.3 48.6 259 -1.3 0 0.0 0 0.0 0 0.0 7 49
264 B 780 ARG R T h < < TS+ 0 0 -79.0 -9.5 177.6 97.1 73.9 56.6 261 -1.4 273 -2.3 260 -0.6 0 0.0 12 55
265 B 781 GLN Q B B G < TS- 272 0 -81.8 130.3 -177.8 -120.1 83.2 135.4 262 -1.2 0 0.0 0 0.0 0 0.0 11 59
266 B 782 MET M t > T - 0 0 -77.2 120.8 -178.9 -147.1 10.4 125.9 271 -3.2 270 -2.2 0 0.0 0 0.0 11 59
267 B 783 ARG R T T 4 TS+ 0 0 -55.1 -34.8 180.0 31.2 97.3 34.7 0 0.0 0 0.0 0 0.0 0 0.0 7 48
268 B 784 PHE F T T 4 TS+ 0 0 -90.3 -56.0 -178.1 37.8 125.0 20.5 0 0.0 0 0.0 0 0.0 0 0.0 11 58
269 B 785 GLU E T T 4 TS- 0 0 -66.8 -33.5 -179.5 -141.4 88.5 34.7 0 0.0 0 0.0 0 0.0 0 0.0 11 64
270 B 786 GLY G t < T + 0 0 92.4 -22.8 178.8 97.2 69.6 82.2 266 -2.2 0 0.0 0 0.0 0 0.0 13 66
271 B 787 GLY G S S S- 0 0 -86.1 -172.0 179.9 -97.3 77.9 98.8 0 0.0 266 -3.2 0 0.0 0 0.0 15 74
272 B 788 PHE F B B G - 265 0 -113.5 149.6 176.8 -143.8 20.5 147.6 0 0.0 281 -2.0 0 0.0 0 0.0 15 70
273 B 789 GLN Q B B H - 280 0 -99.7 163.3 -179.3 -127.5 20.5 128.6 264 -2.3 0 0.0 0 0.0 0 0.0 15 59
274 B 790 GLY G S S S- 0 0 -84.8 -26.0 178.9 -0.5 86.2 41.9 279 -0.7 233 -2.8 0 0.0 0 0.0 14 53
275 B 791 ARG R S t > TS- 0 0 -157.6 158.4 -178.7 -66.1 97.8 167.2 0 0.0 278 -1.5 0 0.0 0 0.0 10 49
276 B 792 CYS C T T 3 TS+ 0 0 -53.0 135.2 179.4 8.9 116.4 101.2 0 0.0 0 0.0 0 0.0 0 0.0 6 42
277 B 793 ASN N T T 3 TS+ 0 0 66.2 22.9 175.0 104.8 105.1 46.3 0 0.0 0 0.0 0 0.0 0 0.0 6 41
278 B 794 LYS K S t < TS- 0 0 -117.4 -175.9 -174.8 -70.7 74.7 127.9 275 -1.5 0 0.0 0 0.0 0 0.0 9 42
279 B 795 LEU L - 0 0 -88.4 155.6 178.1 -104.2 39.6 113.7 0 0.0 274 -0.7 0 0.0 0 0.0 9 50
280 B 796 VAL V B B H - 273 0 -64.0 151.1 -179.8 -178.9 41.0 108.5 0 0.0 0 0.0 0 0.0 0 0.0 13 65
281 B 797 ASP D t > T - 0 0 -159.8 126.2 -179.7 -132.6 32.7 154.0 272 -2.0 284 -1.6 0 0.0 0 0.0 13 66
282 B 798 GLY G T T > TS+ 0 0 -50.8 -33.5 -178.8 64.2 101.9 39.3 336 -2.6 285 -1.8 0 0.0 0 0.0 16 64
283 B 799 CYS C T h > > TS+ 0 0 -65.6 -26.7 179.1 64.5 91.6 35.2 0 0.0 286 -1.8 0 0.0 287 -1.4 14 65
284 B 800 TYR Y H H > <>TS+ 0 0 -72.0 -4.4 176.9 87.6 76.8 56.0 281 -1.6 288 -1.7 0 0.0 289 -1.5 18 67
285 B 801 SER S H H 4 <5TS+ 0 0 -60.5 -27.0 178.3 25.4 106.2 35.2 282 -1.8 0 0.0 0 0.0 0 0.0 18 71
286 B 802 PHE F H H > <5TS+ 0 0 -99.4 -57.2 -177.7 50.6 121.3 30.1 283 -1.8 290 -2.4 0 0.0 0 0.0 13 77
287 B 803 TRP W H H < 5TS+ 0 0 -51.3 -43.2 -179.7 24.6 127.6 28.8 283 -1.4 0 0.0 0 0.0 0 0.0 14 71
288 B 804 GLN Q T h < >5TS+ 0 0 -88.1 -57.5 -178.8 43.8 126.3 20.4 284 -1.7 291 -2.0 0 0.0 0 0.0 16 72
289 B 805 ALA A T T 4 > < TS+ 0 0 -71.4 -24.5 -178.7 65.3 88.5 39.8 288 -2.0 295 -2.5 0 0.0 0 0.0 14 80
292 B 808 LEU L H H > < TS+ 0 0 -69.1 -39.6 178.8 46.4 100.1 27.0 289 -1.5 296 -2.6 0 0.0 0 0.0 12 69
293 B 809 PRO P H H > TS+ 0 0 -68.8 -33.3 179.4 50.7 114.6 26.2 0 0.0 297 -2.4 0 0.0 0 0.0 11 65
294 B 810 LEU L H H X TS+ 0 0 -66.2 -42.5 178.7 45.0 112.6 24.1 290 -1.1 298 -2.2 0 0.0 0 0.0 13 65
295 B 811 LEU L H H X TS+ 0 0 -67.2 -40.5 179.3 54.9 110.6 26.5 291 -2.5 299 -3.0 0 0.0 0 0.0 10 64
296 B 812 HIS H H H X TS+ 0 0 -56.6 -50.5 179.6 45.4 110.5 18.9 292 -2.6 300 -2.7 0 0.0 0 0.0 10 53
297 B 813 ARG R H H X TS+ 0 0 -59.3 -45.2 -179.5 50.2 113.6 24.8 293 -2.4 301 -1.9 0 0.0 0 0.0 9 50
298 B 814 ALA A H H X TS+ 0 0 -61.9 -46.6 179.9 41.9 114.9 23.6 294 -2.2 302 -0.7 0 0.0 0 0.0 11 46
299 B 815 LEU L H H < >>TS+ 0 0 -69.3 -37.4 179.8 55.5 112.0 28.5 295 -3.0 304 -2.0 0 0.0 302 -0.7 10 41
300 B 816 HIS H H H < >5TS+ 0 0 -62.5 -35.8 179.9 57.1 102.6 30.6 296 -2.7 303 -1.4 0 0.0 0 0.0 9 35
301 B 817 ALA A H H < 35TS+ 0 0 -66.4 -25.6 -179.9 51.6 105.2 40.0 297 -1.9 0 0.0 0 0.0 0 0.0 7 29
302 B 818 GLN Q T h < <5TS- 0 0 -91.6 1.6 179.4 -108.2 121.2 67.1 299 -0.7 0 0.0 298 -0.7 0 0.0 6 25
303 B 819 GLY G T T <5T - 0 0 78.7 29.1 179.7 -175.8 45.6 38.0 300 -1.4 0 0.0 0 0.0 0 0.0 6 19
304 B 820 ASP D t > T - 0 0 -79.6 93.2 -178.9 -177.4 44.9 127.4 0 0.0 319 -2.0 0 0.0 0 0.0 8 54
316 B 832 GLN Q H H > TS+ 0 0 -57.8 -42.3 -179.7 48.1 79.8 27.8 314 -1.5 320 -1.8 0 0.0 0 0.0 11 59
317 B 833 GLN Q H H > TS+ 0 0 -66.4 -48.4 -179.4 51.7 109.3 18.5 0 0.0 321 -2.3 0 0.0 0 0.0 10 55
318 B 834 ALA A H H > TS+ 0 0 -57.0 -39.7 179.9 50.5 109.4 28.9 0 0.0 322 -2.2 0 0.0 0 0.0 12 60
319 B 835 LEU L H H X TS+ 0 0 -66.0 -41.8 179.5 50.4 109.5 23.0 315 -2.0 323 -2.5 0 0.0 0 0.0 14 71
320 B 836 GLN Q H H X TS+ 0 0 -62.8 -36.3 179.5 52.3 109.7 27.8 316 -1.8 324 -2.7 0 0.0 0 0.0 12 74
321 B 837 GLU E H H X TS+ 0 0 -66.5 -42.0 179.2 48.3 109.5 24.4 317 -2.3 325 -2.4 0 0.0 0 0.0 14 71
322 B 838 TYR Y H H X >TS+ 0 0 -63.4 -48.3 -179.5 43.3 116.1 19.1 318 -2.2 326 -2.3 0 0.0 327 -0.7 13 75
323 B 839 ILE I H H X 5TS+ 0 0 -62.1 -54.4 -178.2 42.1 118.6 15.4 319 -2.5 327 -1.8 0 0.0 0 0.0 14 77
324 B 840 LEU L H H < 5TS+ 0 0 -63.8 -40.2 -179.2 32.9 125.5 29.6 320 -2.7 0 0.0 0 0.0 0 0.0 11 76
325 B 841 MET M H H < 5TS+ 0 0 -88.0 -32.0 -176.6 23.4 133.4 35.2 321 -2.4 0 0.0 0 0.0 0 0.0 11 62
326 B 842 CYS C H H < 5TS+ 0 0 -111.2 -16.7 -176.3 51.9 117.0 49.8 322 -2.3 0 0.0 0 0.0 0 0.0 12 64
327 B 843 CYS C S h < T - 0 0 -84.9 127.5 180.0 -136.3 15.5 138.7 333 -3.0 332 -2.6 327 -0.5 0 0.0 10 41
330 B 846 PRO P T T 3 TS+ 0 0 -51.3 -34.7 -179.4 52.8 106.1 33.6 0 0.0 0 0.0 0 0.0 0 0.0 7 34
331 B 847 ALA A T T 3 TS- 0 0 -83.1 1.9 -179.1 -82.2 129.6 65.7 0 0.0 0 0.0 0 0.0 0 0.0 7 32
332 B 848 GLY G S t < TS+ 0 0 107.6 144.1 -178.9 70.7 89.0 89.8 329 -2.6 0 0.0 0 0.0 0 0.0 13 43
333 B 849 GLY G - 0 0 98.4 160.0 179.6 -107.7 66.5 97.9 0 0.0 329 -3.0 0 0.0 0 0.0 15 56
334 B 850 LEU L B B I - 328 0 -122.3 172.8 -176.6 -166.9 32.4 138.4 0 0.0 343 -1.2 0 0.0 0 0.0 16 61
335 B 851 LEU L - 0 0 -152.6 -178.8 -179.7 -91.9 35.4 151.3 327 -2.0 0 0.0 0 0.0 0 0.0 18 56
336 B 852 ASP D S S S- 0 0 -60.5 -65.1 179.7 -36.6 93.8 12.6 0 0.0 282 -2.6 0 0.0 0 0.0 13 55
337 B 853 LYS K S t > TS- 0 0 -158.0 167.1 -180.0 -57.6 82.9 165.1 0 0.0 340 -2.3 0 0.0 0 0.0 10 57
338 B 854 PRO P T T 3 TS+ 0 0 -53.1 131.1 179.8 30.3 122.7 105.0 0 0.0 0 0.0 0 0.0 0 0.0 9 48
339 B 855 GLY G T T 3 TS+ 0 0 104.7 -17.8 179.4 106.7 96.9 79.1 0 0.0 0 0.0 0 0.0 0 0.0 4 34
340 B 856 LYS K S t < TS- 0 0 -90.9 161.3 179.6 -111.0 72.0 122.5 337 -2.3 0 0.0 0 0.0 0 0.0 7 34
341 B 857 SER S - 0 0 -93.3 153.1 179.9 -102.6 34.0 128.7 0 0.0 0 0.0 0 0.0 0 0.0 7 29
342 B 858 ARG R + 0 0 -69.0 155.7 176.1 169.4 42.4 106.3 0 0.0 0 0.0 0 0.0 0 0.0 11 46
343 B 859 ASP D h > T - 0 0 -160.6 158.7 -177.8 -109.9 45.4 163.7 334 -1.2 347 -1.9 0 0.0 0 0.0 9 57
344 B 860 PHE F H H > TS+ 0 0 -66.0 -30.3 178.8 60.2 113.3 35.5 0 0.0 348 -2.4 0 0.0 0 0.0 12 59
345 B 861 TYR Y H H > TS+ 0 0 -61.4 -53.1 -179.8 39.6 110.6 16.0 0 0.0 349 -2.4 0 0.0 0 0.0 9 57
346 B 862 HIS H H H > TS+ 0 0 -67.8 -30.7 178.7 57.1 112.5 32.6 0 0.0 350 -2.6 0 0.0 0 0.0 13 60
347 B 863 THR T H H X TS+ 0 0 -63.9 -44.0 179.8 45.3 110.3 20.1 343 -1.9 351 -1.7 0 0.0 0 0.0 14 67
348 B 864 CYS C H H X TS+ 0 0 -63.7 -51.5 -177.5 38.7 119.0 18.3 344 -2.4 352 -2.4 0 0.0 0 0.0 14 71
349 B 865 TYR Y H H X TS+ 0 0 -75.3 -29.2 176.8 54.0 113.0 35.4 345 -2.4 353 -2.4 0 0.0 0 0.0 14 73
350 B 866 CYS C H H X TS+ 0 0 -67.2 -43.9 -179.7 42.1 115.3 20.3 346 -2.6 354 -2.1 0 0.0 0 0.0 17 77
351 B 867 LEU L H H X TS+ 0 0 -68.3 -40.4 179.4 52.9 113.0 25.7 347 -1.7 355 -2.3 0 0.0 0 0.0 11 83
352 B 868 SER S H H X TS+ 0 0 -60.0 -44.2 179.8 45.6 112.3 22.9 348 -2.4 356 -1.8 0 0.0 0 0.0 14 75
353 B 869 GLY G H H X TS+ 0 0 -67.4 -37.9 179.1 55.2 108.7 29.6 349 -2.4 357 -2.3 0 0.0 0 0.0 15 82
354 B 870 LEU L H H X TS+ 0 0 -60.7 -42.2 179.9 50.8 107.7 23.5 350 -2.1 358 -1.5 0 0.0 0 0.0 14 83
355 B 871 SER S H H X TS+ 0 0 -62.5 -43.5 179.0 49.4 109.4 25.8 351 -2.3 359 -1.8 0 0.0 0 0.0 14 74
356 B 872 ILE I H H < TS+ 0 0 -62.5 -41.5 -179.8 51.0 110.6 23.9 352 -1.8 0 0.0 0 0.0 0 0.0 14 73
357 B 873 ALA A H H < TS+ 0 0 -67.0 -27.3 -179.6 47.7 112.1 39.1 353 -2.3 0 0.0 0 0.0 0 0.0 14 65
358 B 874 GLN Q H H < TS+ 0 0 -84.4 -28.8 -175.9 57.2 109.1 38.7 354 -1.5 369 -2.5 0 0.0 360 -0.5 14 56
359 B 875 HIS H E E T - 365 0 -151.4 117.3 -178.9 -38.3 69.6 154.4 365 -2.4 365 -2.1 0 0.0 0 0.0 8 39
363 B 879 GLY G T T 3 TS- 0 0 68.1 -125.2 179.5 -24.9 125.7 121.8 0 0.0 0 0.0 0 0.0 0 0.0 4 26
364 B 880 ALA A T T 3 TS+ 0 0 -98.2 -2.6 -179.5 106.9 116.6 63.7 0 0.0 0 0.0 0 0.0 0 0.0 5 15
365 B 881 MET M E E AA < T + 362 0 -83.4 129.1 178.7 174.4 42.6 129.9 362 -2.1 362 -2.4 0 0.0 0 0.0 9 20
366 B 882 LEU L E E AA + 361 0 -135.1 126.8 179.8 173.6 2.6 175.4 0 0.0 0 0.0 0 0.0 0 0.0 9 27
367 B 883 HIS H E E AA - 360 0 -140.2 114.2 -179.5 -162.3 11.2 158.6 360 -1.9 360 -1.7 0 0.0 0 0.0 9 29
368 B 884 ASP D E E AA - 359 0 -99.0 144.8 178.2 -174.4 11.5 137.1 0 0.0 0 0.0 0 0.0 0 0.0 7 37
369 B 885 VAL V e + 0 0 -135.3 84.2 -179.7 177.3 11.2 140.2 358 -2.5 371 -0.9 0 0.0 0 0.0 9 44
370 B 886 VAL V - 0 0 -95.5 103.7 -179.9 -151.6 17.3 143.8 0 0.0 0 0.0 0 0.0 0 0.0 10 48
371 B 887 LEU L + 0 0 -74.5 143.1 179.2 4.1 58.8 118.7 369 -0.9 0 0.0 0 0.0 0 0.0 12 49
372 B 888 GLY G S S S+ 0 0 86.7 -154.5 179.3 3.3 118.8 120.2 0 0.0 0 0.0 0 0.0 0 0.0 9 44
373 B 889 VAL V S g > TS- 0 0 -67.4 142.6 -179.7 -117.3 75.6 114.8 55 -1.9 376 -2.5 0 0.0 0 0.0 9 32
374 B 890 PRO P G G > TS+ 0 0 -52.2 -27.9 179.5 72.1 110.2 40.3 0 0.0 377 -1.9 0 0.0 0 0.0 7 30
375 B 891 GLU E G G 3 TS+ 0 0 -64.3 -13.1 179.7 79.0 78.5 50.7 0 0.0 0 0.0 0 0.0 0 0.0 5 31
376 B 892 ASN N G G < T + 0 0 -67.4 -19.8 -179.1 117.1 65.4 44.2 373 -2.5 0 0.0 0 0.0 0 0.0 11 49
377 B 893 ALA A g < T - 0 0 -54.7 122.1 180.0 -159.9 52.1 106.3 374 -1.9 0 0.0 0 0.0 0 0.0 8 45
378 B 894 LEU L - 0 0 -100.5 166.3 177.5 -92.0 26.6 124.3 0 0.0 0 0.0 0 0.0 0 0.0 10 55
379 B 895 GLN Q - 0 0 -73.2 147.5 179.9 -100.3 54.0 119.2 97 -2.7 0 0.0 0 0.0 0 0.0 10 48
380 B 896 PRO P - 0 0 -66.6 162.1 178.4 -148.8 34.1 102.0 0 0.0 0 0.0 0 0.0 0 0.0 10 50
381 B 897 THR T - 0 0 -132.9 146.3 -180.0 -111.8 19.9 168.3 0 0.0 0 0.0 0 0.0 0 0.0 12 58
382 B 898 HIS H t > T - 0 0 -77.3 127.7 -179.3 -142.3 22.5 130.3 387 -2.6 386 -2.3 0 0.0 0 0.0 10 61
383 B 899 PRO P T T 4 TS+ 0 0 -63.3 -25.5 179.8 44.9 95.8 41.6 0 0.0 0 0.0 0 0.0 0 0.0 11 63
384 B 900 VAL V T T 4 TS+ 0 0 -82.8 -54.2 -177.2 18.7 129.4 18.5 0 0.0 0 0.0 0 0.0 0 0.0 10 66
385 B 901 TYR Y T T 4 TS- 0 0 -91.0 -23.4 -177.6 -134.9 90.0 45.1 0 0.0 0 0.0 0 0.0 0 0.0 9 70
386 B 902 ASN N t < T + 0 0 62.3 48.7 174.4 103.8 69.9 22.0 382 -2.3 0 0.0 0 0.0 0 0.0 8 79
387 B 903 ILE I S S S- 0 0 -142.9 162.1 -179.1 -61.6 88.8 154.1 0 0.0 382 -2.6 0 0.0 0 0.0 12 61
388 B 904 GLY G h > T - 0 0 -50.4 141.3 179.8 -129.1 41.2 98.3 0 0.0 392 -1.8 0 0.0 0 0.0 13 53
389 B 905 PRO P H H > TS+ 0 0 -59.8 -34.5 178.6 56.0 113.0 31.2 0 0.0 393 -2.3 0 0.0 0 0.0 9 41
390 B 906 ASP D H H > TS+ 0 0 -63.9 -37.4 179.8 50.9 105.9 29.3 0 0.0 394 -2.3 0 0.0 0 0.0 6 33
391 B 907 LYS K H H > TS+ 0 0 -68.6 -37.4 179.3 51.2 108.7 30.3 0 0.0 395 -2.2 0 0.0 0 0.0 11 48
392 B 908 VAL V H H X TS+ 0 0 -64.5 -49.2 -179.4 45.3 112.3 18.4 388 -1.8 396 -2.9 0 0.0 0 0.0 13 47
393 B 909 ILE I H H X TS+ 0 0 -60.8 -46.9 -179.6 48.1 114.3 22.0 389 -2.3 397 -2.4 0 0.0 0 0.0 8 37
394 B 910 GLN Q H H X TS+ 0 0 -62.1 -43.4 -179.8 44.0 115.8 24.7 390 -2.3 398 -2.1 0 0.0 0 0.0 9 36
395 B 911 ALA A H H X TS+ 0 0 -67.9 -51.5 -179.8 46.6 115.0 16.1 391 -2.2 399 -2.8 0 0.0 0 0.0 13 44
396 B 912 THR T H H X TS+ 0 0 -58.8 -38.9 179.5 50.7 113.3 27.6 392 -2.9 400 -2.0 0 0.0 0 0.0 12 45
397 B 913 THR T H H X TS+ 0 0 -64.5 -44.1 179.7 48.1 111.7 22.1 393 -2.4 401 -0.5 0 0.0 0 0.0 8 28
398 B 914 TYR Y H H < > TS+ 0 0 -60.7 -54.1 -178.6 41.2 116.1 16.1 394 -2.1 401 -1.2 0 0.0 0 0.0 8 36
399 B 915 PHE F H H < > TS+ 0 0 -68.7 -25.7 178.7 68.7 102.1 40.5 395 -2.8 402 -2.0 0 0.0 0 0.0 10 42
400 B 916 LEU L H H < 3 TS+ 0 0 -65.9 -15.9 179.3 63.7 92.0 46.5 396 -2.0 0 0.0 0 0.0 0 0.0 9 29
401 B 917 GLN Q T h < < TS+ 0 0 -84.8 -3.3 178.9 72.6 95.6 62.1 398 -1.2 0 0.0 397 -0.5 0 0.0 6 23
402 B 918 LYS K S t < TS- 0 0 -108.1 153.0 180.0 -111.6 89.8 142.6 399 -2.0 0 0.0 0 0.0 0 0.0 7 29
403 B 919 PRO P - 0 0 -82.0 161.2 176.9 -95.7 36.7 115.8 0 0.0 0 0.0 0 0.0 0 0.0 9 28
404 B 920 VAL V t > T - 0 0 -72.5 126.6 -179.4 -90.4 61.8 130.8 0 0.0 407 -3.3 0 0.0 0 0.0 9 33
405 B 921 PRO P T T 3 TS- 0 0 -44.2 114.5 179.5 -8.8 106.7 97.5 0 0.0 0 0.0 0 0.0 0 0.0 8 33
406 B 922 GLY G T T 3 T 0 0 68.3 13.1 180.0 999.9 999.9 49.4 0 0.0 0 0.0 0 0.0 0 0.0 5 21
407 B 923 PHE F t < T 0 0 60.2 999.9 999.9 999.9 999.9 106.1 404 -3.3 0 0.0 0 0.0 0 0.0 5 24
1ld8B.pdb
1LD8 TRANSFERASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand TT GGGSGGGGGGS TT HHHHHHHHHHHHHHHHHHTT BTTB HHHHHHHHHHHTT GGGGGGTT HHHHHHHHHHHHHHTT Kabs/Sand
chirality ++----+++-++++++-----+-+-++++++++++++++++++++---++------++++++++++++++---+++++++++++++++++++++++-+- chirality
bends S SSSSSSSSSSS S SSSSSSSSSSSSSSSSSSSS SS SSSSSSSSSSSS SS SSSSS SSSSSSSSSSSSSSS bends
turns TTTT TTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >>3>XX<<< >33< >>><<<>33< >33< >>3XX3X<3X33< >33< 3-turns
bridge-2 bridge-2
bridge-1 A A bridge-1
sheets sheets
4-turns >>>>XXXXXXXXXXXX<<<< >>>>XXXXX>>>XXXXXXXX<<<< 4-turns
summary tTTt gGGGgGGGGGGg tTTt hHHHHHHHHHHHHHHHHHHhTtBTTB hHHHHHHHHHHHhTt gGGGGGGgThHHHHHHHHHHHHHHhTt summary
sequence PVWSEPLYSLRPEHARERLQDDSVETVTSIEQAKVEEKIQEVFSSYKFNHLVPRLVLQREKHFHYLKRGLRQLTDAYECLDASRPWLCYWILHSLELLDE sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHHHHHHHB TTSSBBSSTT B HHHHHHHHHHHHHH HHHHHHS HHHHHHHHHHHB TTS BBSSTT B HHHHHHHHHHHHHTT Kabs/Sand
chirality ---++++++++++++++--+-+-----++----+++++++++++++-+-++++++--+++++++++++--+-+-----++--+-+++++++++++++-++ chirality
bends SSSSSSSSSSSSSS SSSS SSSS SSSSSSSSSSSSSS SSSSSSS SSSSSSSSSSS SSS SSSS SSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33<>33< >33< >>3<< >>3<<>33< >33< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 B BC C D DE E bridge-1
sheets sheets
4-turns >>>>XXXXXXXX<<<< >>>>XXXXXXXX<<<<>>>><<<<>>>>XXXXX<<<< >>>>XXXXXXX<<<< 4-turns
summary hHHHHHHHHHHHHHHhtTTtSBBStTTt BhHHHHHHHHHHHHHHhhHHHHHHhhHHHHHHHHHHHhtTTt BBStTTt BhHHHHHHHHHHHHHhTt summary
sequence PIPQIVATDVCQFLELCQSPEGGFGGGPGQYPHLAPTYAAVNALCIIGTEEAYDIINREKLLQYLYSLKQPDGSFLMHVGGEVDVRSAYCAASVASLTNI sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand TTTTTTHHHHHHHHB TTSSB SSTTS HHHHHHHHHHHHHHT GGGS HHHHHHHHHHTB TTT SBBSSTTS B TTHHHHTTTHHHHHHHHHH Kabs/Sand
chirality --++++++++++++++--+-+-----++--+-+++++++++++++-+++++--+++++++++++--++-+-----++----+++++++++++++++++++ chirality
bends SSSSSSSSSSSSSS SSSS SSSSS SSSSSSSSSSSSSSS SSS SSSSSSSSSSSS SSS S SSSSS SSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5 5-turns
3-turns >3><3< >>3<<>33< >33< >33<>>3<< >>3<< >33< >>><<< >>3<< >> 3-turns
bridge-2 bridge-2
bridge-1 F F G GH H bridge-1
sheets sheets
4-turns >444X4>>X>XX<<<< >>>>XXXXXXXX<<<< >>>>XXXX<<<< >444< >>4><<4X>>>XXXXX<< 4-turns
summary tTTTTThHHHHHHHHhtTTtSB StTTt hHHHHHHHHHHHHHHhgGGGghHHHHHHHHHHhBtTTTtSBBStTTt BtThHHHHhThHHHHHHHHHH summary
sequence ITPDLFEGTAEWIARCQNWEGGIGGVPGMEAHGGYTFCGLAALVILKRERSLNLKSLLQWVTSRQMRFEGGFQGRCNKLVDGCYSFWQAGLLPLLHRALH sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HTT TT SS SS HHHHHHHHHHHSB TTS B SSTTS HHHHHHHHHHHHHHHEEEETTEEEE SSGGG TTT S HHHHHHHHHHHH Kabs/Sand
chirality +---++--++--+--++++++++++++--+-+-----++--+-+++++++++++++++-++--+++--+-++-+++------++-+--++++++++++++ chirality
bends SS SS SS SS SSSSSSSSSSSS SSS SSSSS SSSSSSSSSSSSSSS SS SSSS SSS S SSSSSSSSSSSS bends
turns TTTTTTT TTTTTTTTTTTTT TTTT TTTT TTTTTTTTTTTTTTTTT TTTT TTTTT TTTTT TTTTTTTTTTTTT turns
5-turns 555< >5555< 5-turns
3-turns 3<<>33< >33< >33< >33< >>3<< >>3 3-turns
bridge-2 bridge-2
bridge-1 I I AAAA AAAA bridge-1
sheets AAAA AAAA sheets
4-turns << >>>>XXXXX<<<< >>>>XXXXXXXXX<<<< >444< >>>>XXXXXX<<< 4-turns
summary HhTtTTt SS SShHHHHHHHHHHHhBtTTt B StTTt hHHHHHHHHHHHHHHHEEEETTEEEEe SgGGGg tTTTtShHHHHHHHHHHHH summary
sequence AQGDPALSMSHWMFHQQALQEYILMCCQCPAGGLLDKPGKSRDFYHTCYCLSGLSIAQHFGSGAMLHDVVLGVPENALQPTHPVYNIGPDKVIQATTYFL sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand TS TT Kabs/Sand
chirality +---- chirality
bends SS S bends
turns TT TTTT turns
5-turns 5-turns
3-turns << >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns < 4-turns
summary ht tTTt summary
sequence QKPVPGF sequence