Secondary structure calculation program - copyright by David Keith Smith, 1989
1nsf-.pdb
1NSF PROTEIN TRANSPORT MOL_ID: 1; MOL_ID: 1;
Sequence length - 247
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
1 489 LYS K 0 0 999.9 122.5 -179.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 16
2 490 PRO P - 0 0 -74.9 174.8 179.9 -67.0 999.9 96.9 0 0.0 0 0.0 0 0.0 0 0.0 6 20
3 491 ALA A S t > TS- 0 0 -61.2 152.2 -179.9 -75.7 71.4 102.8 0 0.0 6 -2.2 0 0.0 0 0.0 6 21
4 492 PHE F T T 3 TS+ 0 0 -50.6 133.0 179.1 4.5 118.5 101.6 0 0.0 0 0.0 0 0.0 0 0.0 5 24
5 493 GLY G T T 3 TS+ 0 0 63.9 18.3 179.6 97.6 116.4 47.4 0 0.0 0 0.0 0 0.0 0 0.0 11 32
6 494 THR T t < T + 0 0 -133.6 166.9 178.9 170.4 40.6 151.0 3 -2.2 0 0.0 0 0.0 0 0.0 13 36
7 495 ASN N B B a - 76 0 -176.5 126.1 178.4 -156.3 15.9 138.5 75 -1.9 77 -1.7 0 0.0 9 -0.5 10 38
8 496 GLN Q - 0 0 -112.5 122.9 -178.9 -144.9 20.6 161.7 0 0.0 0 0.0 0 0.0 0 0.0 9 36
9 497 GLU E - 0 0 -85.0 158.3 177.6 -120.8 16.3 115.8 7 -0.5 11 -1.1 0 0.0 0 0.0 7 43
10 498 ASP D t > T + 0 0 -97.9 86.7 -178.2 177.3 32.6 139.2 0 0.0 13 -1.0 0 0.0 0 0.0 6 35
11 499 TYR Y T T > 3 T + 0 0 -65.4 -17.0 -179.4 79.5 65.8 48.7 9 -1.1 15 -1.3 0 0.0 0 0.0 9 37
12 500 ALA A T T 4 3 TS+ 0 0 -59.7 -40.0 -179.1 48.4 92.7 27.9 0 0.0 0 0.0 0 0.0 0 0.0 6 24
13 501 SER S T T 4 < TS+ 0 0 -75.0 -21.0 179.9 44.3 115.1 43.2 10 -1.0 0 0.0 0 0.0 0 0.0 6 30
14 502 TYR Y T T 4 TS+ 0 0 -98.9 -9.0 179.0 34.3 123.6 56.3 0 0.0 0 0.0 0 0.0 0 0.0 9 42
15 503 ILE I t < > T + 0 0 -138.0 59.1 -177.2 151.8 70.0 116.2 11 -1.3 18 -1.2 0 0.0 0 0.0 13 34
16 504 MET M T T 3 TS+ 0 0 -67.8 -23.0 179.5 37.0 77.8 41.5 0 0.0 0 0.0 0 0.0 0 0.0 6 27
17 505 ASN N T T 3 TS- 0 0 -120.6 36.4 178.2 -121.4 109.6 95.5 0 0.0 0 0.0 0 0.0 0 0.0 4 36
18 506 GLY G t < T - 0 0 62.8 -164.9 179.0 -74.3 30.6 90.1 15 -1.2 0 0.0 0 0.0 0 0.0 6 36
19 507 ILE I - 0 0 -134.9 93.0 -179.2 -169.8 49.1 146.1 0 0.0 0 0.0 0 0.0 0 0.0 7 49
20 508 ILE I - 0 0 -88.9 143.0 -179.9 -126.3 26.5 130.1 0 0.0 22 -1.8 0 0.0 0 0.0 8 42
21 509 LYS K + 0 0 -86.3 75.0 -179.5 154.9 46.3 122.9 0 0.0 0 0.0 0 0.0 0 0.0 9 40
22 510 TRP W - 0 0 -75.4 -15.9 -179.7 -10.0 67.2 48.5 20 -1.8 0 0.0 0 0.0 0 0.0 11 43
23 511 GLY G S h > > TS- 0 0 -171.0 169.4 -179.6 -84.2 78.4 171.0 0 0.0 26 -1.4 0 0.0 27 -0.8 9 39
24 512 ASP D H H > 3 TS+ 0 0 -54.2 -37.5 180.0 66.8 114.2 35.4 0 0.0 28 -2.5 0 0.0 0 0.0 7 31
25 513 PRO P H H > 3 TS+ 0 0 -57.6 -29.0 179.4 58.3 95.0 34.1 0 0.0 29 -2.4 0 0.0 0 0.0 8 42
26 514 VAL V H H > < TS+ 0 0 -64.9 -45.1 179.7 42.8 109.8 19.5 23 -1.4 30 -2.1 0 0.0 0 0.0 11 47
27 515 THR T H H X TS+ 0 0 -66.4 -39.6 179.6 54.6 112.3 26.3 23 -0.8 31 -2.8 0 0.0 0 0.0 9 35
28 516 ARG R H H X TS+ 0 0 -60.4 -41.7 -179.9 49.1 108.2 27.2 24 -2.5 32 -2.5 0 0.0 0 0.0 8 33
29 517 VAL V H H X TS+ 0 0 -64.5 -49.2 179.5 44.6 114.0 18.6 25 -2.4 33 -2.0 0 0.0 0 0.0 12 48
30 518 LEU L H H X TS+ 0 0 -63.4 -40.0 180.0 49.3 114.4 27.5 26 -2.1 34 -2.1 0 0.0 0 0.0 11 43
31 519 ASP D H H X TS+ 0 0 -67.1 -43.7 179.0 48.8 110.6 22.7 27 -2.8 35 -1.8 0 0.0 0 0.0 8 33
32 520 ASP D H H X TS+ 0 0 -62.2 -36.4 179.5 53.0 111.0 27.5 28 -2.5 36 -1.6 0 0.0 0 0.0 9 40
33 521 GLY G H H X TS+ 0 0 -65.0 -42.5 -179.2 50.4 106.7 23.7 29 -2.0 37 -2.0 0 0.0 0 0.0 9 52
34 522 GLU E H H X TS+ 0 0 -66.4 -30.6 178.4 54.6 107.4 33.7 30 -2.1 38 -2.5 0 0.0 0 0.0 11 42
35 523 LEU L H H X TS+ 0 0 -68.4 -36.6 179.5 48.0 108.9 29.3 31 -1.8 39 -2.6 0 0.0 0 0.0 8 39
36 524 LEU L H H X TS+ 0 0 -72.1 -34.1 177.4 51.1 110.6 33.0 32 -1.6 40 -2.3 0 0.0 0 0.0 10 51
37 525 VAL V H H X TS+ 0 0 -66.3 -43.3 179.6 49.3 111.3 20.8 33 -2.0 41 -2.5 0 0.0 0 0.0 10 53
38 526 GLN Q H H X TS+ 0 0 -59.8 -48.0 179.8 48.4 111.1 20.9 34 -2.5 42 -2.4 0 0.0 0 0.0 8 37
39 527 GLN Q H H X TS+ 0 0 -59.1 -44.8 -179.2 50.7 111.5 23.8 35 -2.6 43 -2.4 0 0.0 0 0.0 10 38
40 528 THR T H H < TS+ 0 0 -60.4 -47.7 -178.8 43.1 113.9 21.9 36 -2.3 0 0.0 0 0.0 0 0.0 14 49
41 529 LYS K H H < TS+ 0 0 -69.0 -35.2 -177.0 35.4 123.4 30.2 37 -2.5 0 0.0 0 0.0 0 0.0 9 42
42 530 ASN N H H < TS+ 0 0 -95.9 -18.5 -177.1 92.3 95.9 47.8 38 -2.4 0 0.0 0 0.0 0 0.0 6 27
43 531 SER S h < T + 0 0 -88.9 140.9 177.6 178.0 36.3 125.7 39 -2.4 0 0.0 0 0.0 0 0.0 8 28
44 532 ASP D S S S+ 0 0 -101.0 -28.3 179.5 57.0 87.5 47.7 0 0.0 0 0.0 0 0.0 0 0.0 6 24
45 533 ARG R S S S+ 0 0 -68.6 -45.3 -179.6 26.4 119.9 26.8 0 0.0 0 0.0 0 0.0 0 0.0 4 25
46 534 THR T + 0 0 -123.4 76.7 179.9 157.0 65.5 132.6 0 0.0 0 0.0 0 0.0 0 0.0 8 36
47 535 PRO P S e S+ 0 0 -72.6 -17.5 177.7 61.4 70.5 48.3 0 0.0 152 -2.5 0 0.0 49 -0.5 14 41
48 536 LEU L E E Aa + 152 0 -112.5 121.1 179.0 171.5 67.9 164.3 0 0.0 0 0.0 0 0.0 0 0.0 13 50
49 537 VAL V E E Aa - 153 0 -131.2 134.4 179.5 -173.4 7.6 175.8 152 -2.4 154 -2.9 47 -0.5 0 0.0 13 59
50 538 SER S E E Aa - 154 0 -130.3 142.6 179.1 -177.1 2.8 168.2 0 0.0 175 -1.4 0 0.0 174 -0.8 12 60
51 539 VAL V E E Aab - 155 175 -139.9 140.3 179.2 -146.5 15.8 178.0 154 -2.7 156 -3.0 0 0.0 53 -0.6 13 64
52 540 LEU L E E Aab - 156 176 -107.8 117.7 175.8 -156.3 7.0 157.5 175 -1.8 177 -2.8 0 0.0 54 -0.6 12 66
53 541 LEU L E E Aab + 157 177 -89.5 122.8 -178.9 168.6 30.0 147.6 156 -3.6 158 -1.5 51 -0.6 0 0.0 14 64
54 542 GLU E E E Aab + 158 178 -139.5 151.1 179.5 117.1 10.8 167.8 177 -2.3 179 -3.2 52 -0.6 0 0.0 14 54
55 543 GLY G e - 0 0 176.8 -172.6 179.9 -38.1 63.1 164.5 158 -1.3 0 0.0 0 0.0 0 0.0 14 48
56 544 PRO P S t > TS- 0 0 -67.2 160.7 179.5 -78.9 77.3 101.8 0 0.0 59 -1.6 0 0.0 0 0.0 11 40
57 545 PRO P T T 3 TS+ 0 0 -59.5 147.3 177.7 16.6 115.0 105.7 0 0.0 0 0.0 0 0.0 0 0.0 7 38
58 546 HIS H T T 3 TS+ 0 0 71.3 7.3 -178.7 125.5 84.0 59.8 0 0.0 220 -2.3 0 0.0 221 -0.7 11 41
59 547 SER S S t < TS- 0 0 -74.4 -8.6 178.4 -97.9 87.1 55.8 56 -1.6 0 0.0 0 0.0 0 0.0 15 56
60 548 GLY G S h > TS+ 0 0 102.2 21.3 -177.8 144.0 73.5 48.8 0 0.0 64 -2.1 0 0.0 0 0.0 11 59
61 549 LYS K H H > TS+ 0 0 -58.3 -49.9 -178.4 46.9 70.7 25.3 0 0.0 65 -2.3 0 0.0 0 0.0 13 62
62 550 THR T H H > TS+ 0 0 -62.2 -48.9 179.6 47.3 112.8 21.2 0 0.0 66 -2.7 0 0.0 0 0.0 11 65
63 551 ALA A H H > TS+ 0 0 -61.4 -40.3 179.1 48.6 114.1 27.4 0 0.0 67 -2.0 0 0.0 0 0.0 11 61
64 552 LEU L H H X TS+ 0 0 -67.9 -37.3 178.8 49.0 111.4 27.6 60 -2.1 68 -2.5 0 0.0 0 0.0 12 69
65 553 ALA A H H X TS+ 0 0 -66.4 -41.1 -179.5 49.0 112.5 24.2 61 -2.3 69 -2.3 0 0.0 0 0.0 13 69
66 554 ALA A H H X TS+ 0 0 -66.6 -34.1 179.1 50.2 111.3 31.6 62 -2.7 70 -2.5 0 0.0 0 0.0 13 61
67 555 LYS K H H X TS+ 0 0 -69.8 -45.1 178.8 49.5 109.4 22.8 63 -2.0 71 -2.7 0 0.0 0 0.0 11 57
68 556 ILE I H H X TS+ 0 0 -58.7 -44.3 180.0 47.4 114.0 22.0 64 -2.5 72 -0.6 0 0.0 0 0.0 11 65
69 557 ALA A H H X > TS+ 0 0 -62.3 -48.0 -179.8 50.6 111.0 20.2 65 -2.3 72 -1.3 0 0.0 73 -0.5 13 63
70 558 GLU E H H < > TS+ 0 0 -57.5 -44.1 -179.5 53.4 107.7 25.3 66 -2.5 73 -1.2 0 0.0 0 0.0 10 47
71 559 GLU E H H < 3 TS+ 0 0 -69.9 -9.1 179.8 74.2 92.4 54.6 67 -2.7 0 0.0 0 0.0 0 0.0 7 46
72 560 SER S H H < < TS- 0 0 -73.9 -26.0 -179.3 -151.6 84.7 38.8 69 -1.3 0 0.0 68 -0.6 0 0.0 8 49
73 561 ASN N h < < T + 0 0 60.9 22.2 178.9 165.2 33.8 42.2 70 -1.2 0 0.0 69 -0.5 0 0.0 6 38
74 562 PHE F - 0 0 -70.5 148.6 180.0 -124.0 47.3 114.3 0 0.0 0 0.0 0 0.0 0 0.0 10 48
75 563 PRO P S S S+ 0 0 -59.2 -36.4 -179.5 44.5 102.0 34.2 0 0.0 7 -1.9 0 0.0 77 -0.5 12 38
76 564 PHE F E E Aca + 110 7 -118.2 116.7 178.8 160.6 66.0 163.0 109 -1.3 111 -1.9 0 0.0 0 0.0 13 49
77 565 ILE I E E Ac + 111 0 -135.9 120.1 -178.7 168.7 10.0 169.0 7 -1.7 0 0.0 75 -0.5 0 0.0 15 57
78 566 LYS K E E Ac - 112 0 -138.3 138.8 178.7 -147.7 24.6 175.7 111 -2.2 113 -2.6 0 0.0 80 -0.6 11 60
79 567 ILE I E E Ac - 113 0 -108.3 116.3 178.3 -151.4 9.6 157.1 0 0.0 81 -1.0 0 0.0 0 0.0 10 61
80 568 CYS C E E Ac - 114 0 -86.0 104.9 -177.2 -179.3 29.0 141.0 113 -3.5 115 -2.0 78 -0.6 0 0.0 10 60
81 569 SER S g > T - 0 0 -114.9 140.2 179.6 -138.5 36.8 151.0 79 -1.0 84 -1.4 0 0.0 0 0.0 10 51
82 570 PRO P G G > TS+ 0 0 -64.3 -25.1 -179.9 73.5 98.2 38.4 0 0.0 85 -2.4 0 0.0 0 0.0 10 43
83 571 ASP D G G 3 TS+ 0 0 -72.5 10.7 177.5 53.9 95.6 66.2 0 0.0 0 0.0 0 0.0 0 0.0 5 28
84 572 LYS K G G < TS+ 0 0 -120.1 6.6 -180.0 49.8 107.8 76.5 81 -1.4 0 0.0 0 0.0 0 0.0 5 33
85 573 MET M S g X TS+ 0 0 -134.1 29.0 -179.6 157.2 72.6 90.4 82 -2.4 88 -1.9 0 0.0 0 0.0 8 32
86 574 ILE I T T 3 TS+ 0 0 -61.7 125.1 179.8 4.5 76.2 112.2 0 0.0 0 0.0 0 0.0 0 0.0 6 27
87 575 GLY G T T 3 TS+ 0 0 81.4 -3.4 -180.0 153.0 95.4 66.1 0 0.0 0 0.0 0 0.0 0 0.0 4 22
88 576 PHE F t < T - 0 0 -62.8 139.7 177.4 -128.1 42.4 106.8 85 -1.9 0 0.0 0 0.0 0 0.0 8 27
89 577 SER S h > T - 0 0 -77.9 169.0 179.2 -98.7 34.4 109.5 0 0.0 93 -2.1 0 0.0 0 0.0 6 28
90 578 GLU E H H > TS+ 0 0 -55.1 -47.6 -179.3 49.1 125.4 23.4 0 0.0 94 -2.3 0 0.0 0 0.0 9 32
91 579 THR T H H > TS+ 0 0 -59.7 -45.5 -179.6 53.2 108.4 23.2 0 0.0 95 -2.6 0 0.0 0 0.0 9 26
92 580 ALA A H H > TS+ 0 0 -59.1 -40.7 179.4 48.1 110.0 28.4 0 0.0 96 -2.1 0 0.0 0 0.0 8 31
93 581 LYS K H H X TS+ 0 0 -66.8 -43.9 180.0 50.4 110.8 22.5 89 -2.1 97 -2.9 0 0.0 0 0.0 12 42
94 582 CYS C H H X TS+ 0 0 -60.6 -42.7 179.5 48.3 111.6 24.9 90 -2.3 98 -3.1 0 0.0 0 0.0 11 40
95 583 GLN Q H H X TS+ 0 0 -63.9 -43.8 -179.9 46.4 113.9 22.0 91 -2.6 99 -1.9 0 0.0 0 0.0 8 32
96 584 ALA A H H X TS+ 0 0 -64.6 -41.6 -179.3 44.7 116.3 25.5 92 -2.1 100 -1.5 0 0.0 0 0.0 8 38
97 585 MET M H H X TS+ 0 0 -68.9 -43.5 -179.7 51.2 112.5 23.1 93 -2.9 101 -1.8 0 0.0 0 0.0 9 52
98 586 LYS K H H X TS+ 0 0 -63.8 -32.4 179.5 57.4 105.5 33.9 94 -3.1 102 -2.3 0 0.0 0 0.0 8 41
99 587 LYS K H H X TS+ 0 0 -64.1 -45.7 -179.9 52.0 104.1 20.4 95 -1.9 103 -2.5 0 0.0 0 0.0 8 41
100 588 ILE I H H X TS+ 0 0 -57.2 -48.9 179.4 44.2 112.3 22.1 96 -1.5 104 -2.1 0 0.0 0 0.0 11 53
101 589 PHE F H H X TS+ 0 0 -65.0 -38.3 178.5 56.6 109.9 27.0 97 -1.8 105 -2.6 0 0.0 0 0.0 10 55
102 590 ASP D H H X TS+ 0 0 -58.3 -43.6 179.8 44.4 110.4 22.1 98 -2.3 106 -0.5 0 0.0 0 0.0 8 45
103 591 ASP D H H < > TS+ 0 0 -68.8 -35.8 179.3 54.6 110.8 28.8 99 -2.5 106 -0.9 0 0.0 0 0.0 10 44
104 592 ALA A H H < > TS+ 0 0 -62.6 -41.9 -179.8 61.2 99.5 26.1 100 -2.1 107 -2.2 0 0.0 0 0.0 15 54
105 593 TYR Y H H < 3 TS+ 0 0 -58.4 -21.6 -179.4 66.3 93.8 44.3 101 -2.6 0 0.0 0 0.0 0 0.0 13 44
106 594 LYS K T h < < TS+ 0 0 -77.2 -12.8 179.2 75.1 92.0 51.0 103 -0.9 0 0.0 102 -0.5 0 0.0 9 36
107 595 SER S S t < TS- 0 0 -100.0 150.9 178.8 -135.9 78.1 135.6 104 -2.2 0 0.0 0 0.0 0 0.0 12 41
108 596 GLN Q S e S+ 0 0 -70.6 -33.4 179.4 25.8 100.6 33.4 0 0.0 151 -3.1 0 0.0 0 0.0 9 41
109 597 LEU L E E A d S+ 0 151 -133.9 118.4 179.9 164.9 80.4 167.4 0 0.0 76 -1.3 0 0.0 0 0.0 11 53
110 598 SER S E E Acd - 76 152 -136.2 157.5 178.7 -162.1 21.8 159.8 151 -1.8 153 -2.4 0 0.0 0 0.0 14 65
111 599 CYS C E E Acd - 77 153 -139.4 124.4 179.1 -171.3 8.5 170.1 76 -1.9 78 -2.2 0 0.0 0 0.0 14 70
112 600 VAL V E E Acd - 78 154 -120.7 127.6 178.0 -154.1 9.8 167.3 153 -2.3 155 -2.7 0 0.0 114 -0.6 16 78
113 601 VAL V E E Acd - 79 155 -100.8 120.4 177.8 -162.9 0.9 153.3 78 -2.6 80 -3.5 0 0.0 115 -1.0 14 72
114 602 VAL V E E Acd - 80 156 -102.1 94.2 -175.5 -158.3 25.5 146.9 155 -2.4 157 -1.6 112 -0.6 0 0.0 12 71
115 603 ASP D e - 0 0 -86.0 139.6 178.3 -0.7 55.8 123.6 80 -2.0 0 0.0 113 -1.0 0 0.0 14 67
116 604 ASP D h > > T - 0 0 53.2 67.2 -178.1 -166.4 65.8 13.8 0 0.0 120 -2.0 0 0.0 119 -1.2 13 57
117 605 ILE I H H > 3 TS+ 0 0 -51.7 -38.7 179.6 61.9 81.7 33.3 157 -2.5 121 -2.3 0 0.0 0 0.0 10 69
118 606 GLU E H H 4 3>TS+ 0 0 -57.5 -39.0 -179.9 41.4 108.7 32.0 0 0.0 123 -3.0 0 0.0 0 0.0 10 56
119 607 ARG R H H 4 X5TS+ 0 0 -77.5 -38.8 178.4 55.6 110.9 30.0 116 -1.2 122 -1.4 0 0.0 0 0.0 8 46
120 608 LEU L H H < 35TS+ 0 0 -58.7 -39.0 179.8 43.7 113.1 27.5 116 -2.0 0 0.0 0 0.0 0 0.0 12 55
121 609 LEU L T h < 35TS- 0 0 -87.6 3.7 -179.9 -124.0 110.5 70.1 117 -2.3 131 -3.8 0 0.0 0 0.0 11 55
122 610 ASP D T T <5T - 0 0 53.9 41.1 -179.1 -178.8 46.3 30.4 119 -1.4 0 0.0 0 0.0 0 0.0 9 44
123 611 TYR Y t T - 129 0 -149.8 129.9 -179.6 -136.4 33.8 164.0 129 -1.8 129 -2.1 0 0.0 0 0.0 8 26
125 613 PRO P T T 5TS+ 0 0 -65.1 -16.0 179.3 96.0 80.6 47.0 0 0.0 127 -0.9 0 0.0 0 0.0 6 21
126 614 ILE I T T 5TS- 0 0 -78.8 107.7 -178.1 -16.5 112.1 131.4 0 0.0 0 0.0 0 0.0 0 0.0 5 11
127 615 GLY G T T 5TS- 0 0 130.1 -73.2 -0.4 -101.7 107.0 127.6 125 -0.9 0 0.0 0 0.0 0 0.0 5 11
128 616 PRO P T T 5T - 0 0 -82.8 176.8 178.8 -173.7 59.6 50.3 0 0.0 0 0.0 0 0.0 0 0.0 7 20
129 617 ARG R B B B T - 0 0 -90.7 104.4 -179.1 -176.9 34.4 140.2 121 -3.8 135 -2.0 0 0.0 0 0.0 10 40
132 620 ASN N H H > TS+ 0 0 -68.5 -34.1 179.3 60.5 81.9 31.2 130 -1.0 136 -3.0 0 0.0 0 0.0 7 35
133 621 LEU L H H > TS+ 0 0 -59.1 -42.7 179.8 43.8 109.0 22.6 0 0.0 137 -2.0 0 0.0 0 0.0 9 32
134 622 VAL V H H > TS+ 0 0 -69.6 -40.6 177.9 52.3 112.4 26.5 0 0.0 138 -2.4 0 0.0 0 0.0 13 46
135 623 LEU L H H X TS+ 0 0 -59.3 -46.3 -178.6 47.8 110.8 20.6 131 -2.0 139 -2.6 0 0.0 0 0.0 9 50
136 624 GLN Q H H X TS+ 0 0 -63.6 -40.7 179.3 51.5 110.1 26.8 132 -3.0 140 -1.9 0 0.0 0 0.0 8 38
137 625 ALA A H H X TS+ 0 0 -62.4 -42.7 -179.9 47.3 112.3 22.3 133 -2.0 141 -2.7 0 0.0 0 0.0 9 40
138 626 LEU L H H X TS+ 0 0 -66.7 -41.2 178.4 54.4 107.8 26.3 134 -2.4 142 -2.3 0 0.0 0 0.0 8 61
139 627 LEU L H H < TS+ 0 0 -59.9 -38.5 179.7 42.2 114.4 27.8 135 -2.6 0 0.0 0 0.0 0 0.0 10 43
140 628 VAL V H H X > TS+ 0 0 -74.9 -43.9 179.7 51.8 112.8 22.8 136 -1.9 143 -1.3 0 0.0 144 -0.7 8 33
141 629 LEU L H H < > TS+ 0 0 -61.2 -34.1 179.3 60.6 102.8 33.2 137 -2.7 144 -0.6 0 0.0 0 0.0 8 56
142 630 LEU L T h < 3 TS+ 0 0 -66.7 -18.7 -179.0 36.3 113.7 45.2 138 -2.3 0 0.0 0 0.0 0 0.0 10 54
143 631 LYS K T T 4 < TS+ 0 0 -114.8 1.6 -179.6 107.5 88.8 67.4 140 -1.3 145 -0.8 0 0.0 0 0.0 8 41
144 632 LYS K t < < T - 0 0 -87.7 110.0 -179.8 -142.5 62.5 136.7 140 -0.7 0 0.0 141 -0.6 0 0.0 7 42
145 633 ALA A - 0 0 -69.2 140.7 179.6 -111.5 22.8 114.2 143 -0.8 0 0.0 0 0.0 0 0.0 9 42
146 634 PRO P - 0 0 -63.2 168.3 179.7 -63.4 59.0 100.9 0 0.0 0 0.0 0 0.0 0 0.0 11 41
147 635 PRO P S t > TS- 0 0 -58.3 138.7 -178.7 -63.6 85.2 107.6 0 0.0 150 -2.2 0 0.0 0 0.0 6 29
148 636 GLN Q T T 3 TS+ 0 0 -22.9 127.5 178.6 13.9 122.5 74.8 0 0.0 0 0.0 0 0.0 0 0.0 5 26
149 637 GLY G T T 3 TS+ 0 0 89.5 -22.5 -179.1 107.7 100.5 83.7 0 0.0 0 0.0 0 0.0 0 0.0 8 27
150 638 ARG R t < T - 0 0 -92.7 148.4 -178.3 -141.2 57.9 130.2 147 -2.2 0 0.0 0 0.0 0 0.0 11 41
151 639 LYS K E E A d - 0 109 -112.5 151.1 -179.9 -172.9 14.6 144.1 108 -3.1 110 -1.8 0 0.0 0 0.0 13 50
152 640 LEU L E E Aad - 48 110 -145.3 127.2 176.6 -163.5 9.7 168.6 47 -2.5 49 -2.4 0 0.0 154 -0.6 16 64
153 641 LEU L E E Aad - 49 111 -108.7 120.0 179.1 -163.1 13.4 162.6 110 -2.4 112 -2.3 0 0.0 155 -0.5 14 75
154 642 ILE I E E Aad - 50 112 -105.5 128.5 179.4 -170.6 4.5 155.5 49 -2.9 51 -2.7 152 -0.6 156 -0.5 13 78
155 643 ILE I E E Aad - 51 113 -120.7 115.5 178.2 -174.3 5.1 165.5 112 -2.7 114 -2.4 153 -0.5 0 0.0 14 77
156 644 GLY G E E Aad - 52 114 -105.1 159.5 176.2 -158.5 6.4 135.4 51 -3.0 53 -3.6 154 -0.5 0 0.0 14 71
157 645 THR T E E Aa + 53 0 -134.2 149.0 179.9 158.9 17.9 168.9 114 -1.6 117 -2.5 0 0.0 0 0.0 15 64
158 646 THR T E E Aa - 54 0 -164.2 154.5 176.9 -153.3 39.1 167.2 53 -1.5 55 -1.3 0 0.0 0 0.0 14 59
159 647 SER S S S S+ 0 0 -109.7 1.9 -179.3 62.4 95.4 74.1 0 0.0 0 0.0 0 0.0 0 0.0 10 50
160 648 ARG R h > > T + 0 0 -128.6 62.2 179.8 155.3 49.7 115.3 0 0.0 164 -1.9 0 0.0 163 -0.6 10 44
161 649 LYS K H H > 3 TS+ 0 0 -53.6 -36.3 -179.7 60.8 77.2 31.2 0 0.0 165 -2.0 0 0.0 0 0.0 9 43
162 650 ASP D H H > 3 TS+ 0 0 -59.2 -45.2 179.5 46.7 104.3 24.0 0 0.0 166 -1.9 0 0.0 0 0.0 6 31
163 651 VAL V H H > < TS+ 0 0 -63.9 -46.2 179.7 51.0 111.6 20.9 160 -0.6 167 -1.6 0 0.0 0 0.0 7 42
164 652 LEU L H H < >TS+ 0 0 -61.4 -32.2 179.1 54.5 107.3 33.4 160 -1.9 169 -2.5 0 0.0 170 -0.7 10 50
165 653 GLN Q H H < >5TS+ 0 0 -66.9 -45.1 179.2 50.0 106.7 19.5 161 -2.0 168 -2.0 0 0.0 0 0.0 10 33
166 654 GLU E H H < 35TS+ 0 0 -59.8 -32.9 -179.5 55.4 107.6 35.1 162 -1.9 0 0.0 0 0.0 0 0.0 7 28
167 655 MET M T h < 35TS- 0 0 -81.4 3.6 -179.6 -118.0 116.3 67.9 163 -1.6 0 0.0 0 0.0 0 0.0 7 36
168 656 GLU E T g X5TS+ 0 0 69.3 15.0 -179.1 128.1 78.3 51.2 165 -2.0 171 -0.6 0 0.0 0 0.0 8 31
169 657 MET M G G > >BE TS- 214 0 -126.6 157.4 179.1 -120.0 75.1 154.4 0 0.0 188 -2.3 0 0.0 0 0.0 13 36
185 673 GLY G H H > TS+ 0 0 -58.6 -35.5 179.4 56.0 116.2 31.1 213 -2.4 189 -2.6 0 0.0 0 0.0 13 37
186 674 GLU E H H > TS+ 0 0 -61.8 -49.3 -179.9 45.7 108.0 20.1 0 0.0 190 -2.6 0 0.0 0 0.0 9 34
187 675 GLN Q H H > TS+ 0 0 -62.3 -36.7 179.7 52.1 113.0 29.4 0 0.0 191 -2.1 0 0.0 0 0.0 11 42
188 676 LEU L H H X TS+ 0 0 -66.3 -43.4 179.5 46.6 110.6 24.5 184 -2.3 192 -2.2 0 0.0 0 0.0 12 56
189 677 LEU L H H X TS+ 0 0 -66.1 -39.2 178.9 53.6 110.3 26.3 185 -2.6 193 -2.4 0 0.0 0 0.0 11 51
190 678 GLU E H H X TS+ 0 0 -60.7 -43.3 180.0 50.2 108.6 23.6 186 -2.6 194 -2.8 0 0.0 0 0.0 10 45
191 679 ALA A H H X TS+ 0 0 -60.6 -49.6 -180.0 48.9 110.0 19.1 187 -2.1 195 -2.0 0 0.0 0 0.0 11 55
192 680 LEU L H H X >TS+ 0 0 -58.1 -40.8 179.2 49.3 112.7 25.8 188 -2.2 196 -1.6 0 0.0 197 -0.8 11 54
193 681 GLU E H H < 5TS+ 0 0 -63.6 -50.4 -179.6 47.1 111.4 17.8 189 -2.4 0 0.0 0 0.0 0 0.0 9 33
194 682 LEU L H H < 5TS+ 0 0 -62.8 -27.3 179.3 44.2 117.2 38.2 190 -2.8 0 0.0 0 0.0 0 0.0 9 28
195 683 LEU L H H < 5TS- 0 0 -88.3 -21.2 178.8 -150.5 98.7 47.6 191 -2.0 0 0.0 0 0.0 0 0.0 7 34
196 684 GLY G T h < 5T + 0 0 51.8 60.3 179.9 131.6 48.0 24.6 192 -1.6 0 0.0 0 0.0 0 0.0 6 33
197 685 ASN N t T - 0 0 -80.7 156.4 -179.3 -104.9 36.3 117.8 0 0.0 203 -2.9 0 0.0 0 0.0 6 29
200 688 ASP D H H > TS+ 0 0 -48.8 -43.3 179.6 54.3 123.3 30.0 0 0.0 204 -2.6 0 0.0 0 0.0 6 23
201 689 LYS K H H > TS+ 0 0 -57.9 -44.0 -179.9 44.8 112.3 23.1 0 0.0 205 -2.0 0 0.0 0 0.0 6 23
202 690 GLU E H H > TS+ 0 0 -66.7 -46.8 179.4 48.5 112.7 22.9 0 0.0 206 -2.9 0 0.0 0 0.0 9 36
203 691 ARG R H H X TS+ 0 0 -62.7 -32.7 179.3 55.0 110.1 31.9 199 -2.9 207 -3.1 0 0.0 0 0.0 11 39
204 692 THR T H H X TS+ 0 0 -64.9 -45.9 179.1 46.7 108.6 21.0 200 -2.6 208 -2.5 0 0.0 0 0.0 8 29
205 693 THR T H H X TS+ 0 0 -59.7 -51.1 179.5 46.4 114.9 16.9 201 -2.0 209 -1.2 0 0.0 0 0.0 9 33
206 694 ILE I H H X > TS+ 0 0 -56.2 -47.0 -179.7 53.9 110.7 22.1 202 -2.9 210 -1.5 0 0.0 209 -0.8 11 45
207 695 ALA A H H X > TS+ 0 0 -54.5 -46.6 179.8 56.7 102.1 24.7 203 -3.1 211 -3.4 0 0.0 210 -0.6 10 33
208 696 GLN Q H H < 3 TS+ 0 0 -55.2 -31.3 -179.0 42.2 114.0 33.9 204 -2.5 0 0.0 0 0.0 0 0.0 7 25
209 697 GLN Q H H < < TS+ 0 0 -91.2 -18.9 -178.2 20.9 130.3 48.6 205 -1.2 0 0.0 206 -0.8 0 0.0 6 30
210 698 VAL V H H < X TS+ 0 0 -124.3 -22.3 -178.6 111.7 86.5 49.4 206 -1.5 213 -1.8 207 -0.6 0 0.0 12 34
211 699 LYS K T h < 3 TS+ 0 0 -59.2 140.8 -179.4 12.1 91.5 104.9 207 -3.4 0 0.0 0 0.0 0 0.0 11 28
212 700 GLY G T T 3 TS+ 0 0 65.9 17.2 -179.4 102.2 115.6 46.9 0 0.0 0 0.0 0 0.0 0 0.0 7 21
213 701 LYS K S e < TS- 0 0 -123.8 173.8 179.4 -108.8 72.8 135.6 210 -1.8 185 -2.4 0 0.0 0 0.0 7 24
214 702 LYS K E E BE + 184 0 -110.7 142.0 178.8 172.2 32.4 150.4 0 0.0 0 0.0 0 0.0 0 0.0 8 27
215 703 VAL V E E B* - 0 0 -134.1 173.5 179.5 -150.0 20.3 145.1 183 -2.0 0 0.0 0 0.0 0 0.0 10 40
216 704 TRP W E E B* + 0 0 -152.4 93.4 -179.4 131.1 38.9 134.9 0 0.0 0 0.0 0 0.0 0 0.0 8 40
217 705 ILE I E E BE - 182 0 -150.3 136.9 179.8 -122.3 49.0 170.5 182 -1.7 182 -3.0 0 0.0 0 0.0 11 46
218 706 GLY G h > T - 0 0 -77.2 145.3 -178.8 -120.9 27.3 121.0 0 0.0 222 -2.7 0 0.0 0 0.0 14 49
219 707 ILE I H H > TS+ 0 0 -53.3 -38.2 179.9 51.9 115.0 30.8 0 0.0 223 -2.0 0 0.0 0 0.0 11 54
220 708 LYS K H H > TS+ 0 0 -66.0 -39.8 179.2 47.3 111.3 25.3 58 -2.3 224 -1.2 0 0.0 0 0.0 9 44
221 709 LYS K H H > TS+ 0 0 -67.0 -40.6 179.3 55.8 108.2 28.6 58 -0.7 225 -2.1 0 0.0 0 0.0 10 42
222 710 LEU L H H X TS+ 0 0 -59.3 -42.1 179.5 56.9 102.1 24.7 218 -2.7 226 -2.5 0 0.0 0 0.0 9 53
223 711 LEU L H H X TS+ 0 0 -56.5 -41.1 -179.4 46.8 108.8 26.4 219 -2.0 227 -2.2 0 0.0 0 0.0 8 46
224 712 MET M H H X TS+ 0 0 -69.8 -41.7 -179.8 50.7 110.4 26.7 220 -1.2 228 -2.3 0 0.0 0 0.0 8 33
225 713 LEU L H H X TS+ 0 0 -63.9 -40.1 178.9 48.6 112.0 24.6 221 -2.1 229 -2.3 0 0.0 0 0.0 11 41
226 714 ILE I H H X TS+ 0 0 -60.9 -55.9 -178.6 48.5 111.4 12.3 222 -2.5 230 -2.2 0 0.0 0 0.0 10 44
227 715 GLU E H H < TS+ 0 0 -55.4 -37.5 178.5 49.8 111.8 31.9 223 -2.2 0 0.0 0 0.0 0 0.0 8 32
228 716 MET M H H < > TS+ 0 0 -68.7 -39.6 179.4 52.5 109.3 24.2 224 -2.3 231 -1.4 0 0.0 0 0.0 9 26
229 717 SER S H H < > TS+ 0 0 -61.6 -37.3 -178.6 63.5 99.7 30.5 225 -2.3 232 -1.7 0 0.0 0 0.0 11 35
230 718 LEU L T h < 3 TS+ 0 0 -67.1 -8.2 179.8 68.8 88.9 56.0 226 -2.2 0 0.0 0 0.0 0 0.0 9 31
231 719 GLN Q T G < TS+ 0 0 -85.8 -10.1 -179.9 90.5 85.3 54.1 228 -1.4 0 0.0 0 0.0 0 0.0 7 22
232 720 MET M S g < TS- 0 0 -80.9 163.5 177.7 -84.6 96.1 110.8 229 -1.7 0 0.0 0 0.0 0 0.0 10 23
233 721 ASP D g > > T - 0 0 -65.4 142.3 -179.6 -105.2 50.2 116.9 0 0.0 236 -3.6 0 0.0 237 -0.7 7 18
234 722 PRO P G G 4 > TS+ 0 0 -35.8 -46.2 -178.9 57.4 120.6 36.6 0 0.0 237 -0.9 0 0.0 0 0.0 6 23
235 723 GLU E G G 4 3 TS+ 0 0 -67.2 -12.6 -179.5 39.0 112.9 52.1 0 0.0 0 0.0 0 0.0 0 0.0 6 21
236 724 TYR Y G h > < TS+ 0 0 -118.9 2.7 -179.0 97.4 83.7 66.4 233 -3.6 240 -2.5 0 0.0 0 0.0 8 27
237 725 ARG R H H X < TS+ 0 0 -57.6 -50.8 179.9 44.0 89.4 20.0 234 -0.9 241 -2.7 233 -0.7 0 0.0 12 33
238 726 VAL V H H > TS+ 0 0 -61.3 -46.9 179.2 52.6 112.0 20.8 0 0.0 242 -2.7 0 0.0 0 0.0 11 39
239 727 ARG R H H > TS+ 0 0 -53.5 -48.2 -179.6 46.3 112.4 20.1 0 0.0 243 -2.1 0 0.0 0 0.0 7 34
240 728 LYS K H H X TS+ 0 0 -60.7 -47.4 -179.6 52.6 110.9 20.5 236 -2.5 244 -2.7 0 0.0 0 0.0 10 32
241 729 PHE F H H X TS+ 0 0 -55.3 -51.7 -179.6 44.2 111.6 21.7 237 -2.7 245 -2.6 0 0.0 0 0.0 12 46
242 730 LEU L H H X TS+ 0 0 -64.3 -34.3 179.6 53.2 112.6 31.6 238 -2.7 246 -2.0 0 0.0 0 0.0 9 43
243 731 ALA A H H X TS+ 0 0 -65.2 -47.8 179.5 44.3 111.9 18.9 239 -2.1 247 -2.0 0 0.0 0 0.0 8 27
244 732 LEU L H H < TS+ 0 0 -61.3 -44.4 -179.5 48.7 115.0 23.3 240 -2.7 0 0.0 0 0.0 0 0.0 8 31
245 733 LEU L H H < TS+ 0 0 -64.3 -33.2 -179.2 56.3 109.6 33.1 241 -2.6 0 0.0 0 0.0 0 0.0 7 44
246 734 ARG R H H < T 0 0 -65.2 -52.0 -177.4 999.9 999.9 20.9 242 -2.0 0 0.0 0 0.0 0 0.0 5 27
247 735 GLU E h < T 0 0 -85.1 999.9 999.9 999.9 999.9 106.3 243 -2.0 0 0.0 0 0.0 0 0.0 4 15
1nsf-.pdb
1NSF PROTEIN TRANSPORT MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand STT B TTTT TT SHHHHHHHHHHHHHHHHHHH SS SEEEEEEE STTSSHHHHHHHHHHHH SEEEEE GGGSTT HHHHHHHHHHH Kabs/Sand
chirality --+++---+++++++----+--+++++++++++++++++++++++++----++--++-++++++++++++-+-+++----++++++--+++++++++++ chirality
bends SSS SSS SS SSSSSSSSSSSSSSSSSSSS SS S SSSSSSSSSSSSSSSSS S SSSSSS SSSSSSSSSSS bends
turns TTTT TTTTTTTTT TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33< >33< >>3<< >>3444< >>>>XXXXXXXXXXXXX<<<< >>>>XXXXXX<<<< >>>>XXXXXXXX 4-turns
summary tTTtB tTTTTtTTt hHHHHHHHHHHHHHHHHHHHhSS eEEEEEEEetTTthHHHHHHHHHHHHh SEEEEEgGGGgTTthHHHHHHHHHHH summary
sequence KPAFGTNQEDYASYIMNGIIKWGDPVTRVLDDGELLVQQTKNSDRTPLVSVLLEGPPHSGKTALAAKIAEESNFPFIKICSPDKMIGFSETAKCQAMKKI sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHTSSEEEEEE HHHHTT BTTTTB HHHHHHHHHHTT STT EEEEEEEES HHHHHHTTGGGTSSEEEE EEEHHHHHHHHHHHT S H Kabs/Sand
chirality ++++++-++-------++++--+-+---+--++++++++++++----++-------+-++++++++-+++++----------+-++++++++++-++--+ chirality
bends SSSSSSSSS SSSSS SSS SSSSSSSSSSSS SSS S SSSSSSSS SSSSS SSSSSSSSSSSS S S bends
turns TTTTTTT TTTTTTTTTTTTTT TTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTT TTTTTTTTTTTTTT TT turns
5-turns >5555<>5555< >5555< >5555< 5-turns
3-turns >>3<< >33X33< >>3<< >33< >33< >33X>3<< 3-turns
bridge-2 dddddd dddddd bridge-2
bridge-1 ccccc B B aaaaaaa bbbb E*E bridge-1
sheets AAAAAA AAAAAAAA AAAA BBB sheets
4-turns XX<<<< >>44<< >>>>XXXX>>><<<< >444< >>>>XXXXX<<<< >> 4-turns
summary HHHHHhteEEEEEEehHHHHhTtBTTTTB hHHHHHHHHHHhTt tTTtEEEEEEEEShHHHHHHhgGGGgtSEEEEe EEEHHHHHHHHHHHhtShH summary
sequence FDDAYKSQLSCVVVDDIERLLDYVPIGPRFSNLVLQALLVLLKKAPPQGRKLLIIGTTSRKDVLQEMEMLNAFSTTIHVPNIATGEQLLEALELLGNFKD sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHHTTSEEEE HHHHHHHHHHHTTS GGGHHHHHHHHHH Kabs/Sand
chirality ++++++++++++-+-+--+++++++++++++--++++++++++++ chirality
bends SSSSSSSSSSSSS SSSSSSSSSSSSSS SSSSSSSSSSSS bends
turns TTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >>3>3<<>>3<< 3-turns
bridge-2 bridge-2
bridge-1 E**E bridge-1
sheets BBBB sheets
4-turns >>XXXXX<<<< >>>>XXXXX<<<< >44>X>>XXXX<<<< 4-turns
summary HHHHHHHHHHhTeEEEEhHHHHHHHHHHHhGggGGhHHHHHHHHHHh summary
sequence KERTTIAQQVKGKKVWIGIKKLLMLIEMSLQMDPEYRVRKFLALLRE sequence
210 220 230 240