Secondary structure calculation program - copyright by David Keith Smith, 1989
1cfb-.pdb
1CFB NEURAL ADHESION MOLECULE DROSOPHILA NEUROGLIAN (CHYMOTRYPTIC FRAGMENT CONTA (DROSOPHILA MELANOGASTER) RECOMBINANT FORM AS SE
Sequence length - 205
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
1 610 ILE I 0 0 999.9 141.1 179.1 999.9 999.9 999.9 0 0.0 3 -0.5 0 0.0 0 0.0 3 11
2 611 VAL V - 0 0 -90.4 124.1 -175.5 -161.8 999.9 141.9 0 0.0 0 0.0 0 0.0 0 0.0 5 14
3 612 GLN Q + 0 0 -110.4 158.3 176.2 166.5 18.1 136.8 1 -0.5 0 0.0 0 0.0 0 0.0 8 20
4 613 ASP D - 0 0 -154.0 171.0 177.2 -74.9 46.4 155.7 31 -1.8 0 0.0 0 0.0 0 0.0 10 25
5 614 VAL V - 0 0 -62.2 163.8 -179.4 -85.6 68.6 106.2 0 0.0 0 0.0 0 0.0 0 0.0 14 32
6 615 PRO P - 0 0 -73.1 167.8 176.1 -103.2 40.7 101.8 0 0.0 0 0.0 0 0.0 0 0.0 16 36
7 616 ASN N - 0 0 -78.3 157.6 179.1 -82.6 54.2 117.2 29 -2.1 0 0.0 0 0.0 0 0.0 12 39
8 617 ALA A - 0 0 -64.7 133.7 178.8 -118.8 48.9 114.1 0 0.0 0 0.0 0 0.0 0 0.0 13 44
9 618 PRO P - 0 0 -66.0 160.4 176.7 -117.7 25.2 109.6 0 0.0 11 -0.6 0 0.0 0 0.0 13 49
10 619 LYS K E E AA - 26 0 -102.3 122.8 178.9 -138.9 17.9 157.8 26 -2.8 26 -2.3 0 0.0 12 -0.7 10 37
11 620 LEU L E E AA - 25 0 -79.9 116.1 -174.8 -178.5 24.5 137.0 9 -0.6 0 0.0 0 0.0 0 0.0 14 42
12 621 THR T E E A* - 0 0 -94.1 -23.3 -179.3 -36.6 49.4 44.2 24 -1.5 0 0.0 10 -0.7 0 0.0 7 33
13 622 GLY G E E AA - 24 0 176.9 172.8 -178.8 -138.6 46.1 165.8 24 -1.3 24 -2.7 0 0.0 0 0.0 9 33
14 623 ILE I E E AA - 23 0 -151.2 152.6 175.9 -147.7 6.2 171.0 0 0.0 0 0.0 0 0.0 0 0.0 10 40
15 624 THR T E E AA - 22 0 -121.8 127.0 179.4 -154.4 16.1 175.7 22 -1.9 22 -2.3 0 0.0 17 -0.7 7 33
16 625 CYS C E E AA + 21 0 -107.3 107.4 177.0 177.2 17.3 154.3 0 0.0 0 0.0 0 0.0 0 0.0 9 34
17 626 GLN Q e - 0 0 -96.2 -179.0 -177.4 -88.9 47.5 117.6 20 -3.1 0 0.0 15 -0.7 0 0.0 6 29
18 627 ALA A S S S+ 0 0 -61.7 -35.1 -179.0 5.6 120.2 35.0 0 0.0 0 0.0 0 0.0 0 0.0 6 26
19 628 ASP D S e S+ 0 0 -134.3 12.8 179.5 41.3 129.0 77.9 0 0.0 69 -2.6 0 0.0 0 0.0 9 34
20 629 LYS K E E A B - 0 68 -158.7 155.7 179.2 -147.0 57.8 172.2 0 0.0 17 -3.1 0 0.0 0 0.0 10 34
21 630 ALA A E E AAB - 16 67 -125.2 143.1 174.5 -148.2 8.7 163.8 67 -2.6 67 -3.0 0 0.0 23 -0.6 13 45
22 631 GLU E E E AAB - 15 66 -111.7 116.2 -178.5 -161.8 18.4 164.8 15 -2.3 15 -1.9 0 0.0 0 0.0 11 42
23 632 ILE I E E AAB - 14 65 -98.1 140.7 -177.1 -159.9 3.6 145.0 65 -2.4 65 -1.7 21 -0.6 0 0.0 13 51
24 633 HIS H E E AAB + 13 64 -123.9 139.8 179.6 165.9 15.6 159.7 13 -2.7 12 -1.5 0 0.0 13 -1.3 11 48
25 634 TRP W E E AA - 11 0 -149.1 165.2 176.5 -142.1 27.9 163.7 63 -2.6 0 0.0 0 0.0 0 0.0 12 46
26 635 GLU E E E AA - 10 0 -130.1 119.1 178.1 -126.4 27.4 175.4 10 -2.3 10 -2.8 0 0.0 0 0.0 9 41
27 636 GLN Q - 0 0 -61.3 150.2 -177.1 -153.5 15.8 113.9 0 0.0 0 0.0 0 0.0 0 0.0 11 46
28 637 GLN Q - 0 0 -118.7 28.2 -179.1 -42.6 59.4 90.1 0 0.0 0 0.0 0 0.0 0 0.0 9 38
29 638 GLY G - 0 0 117.9 136.4 -178.6 -136.8 37.8 94.4 0 0.0 7 -2.1 0 0.0 0 0.0 6 39
30 639 ASP D t > T - 0 0 -104.2 2.9 -178.9 -127.7 37.0 69.6 0 0.0 33 -1.5 0 0.0 0 0.0 13 36
31 640 ASN N T T 3 TS- 0 0 47.7 43.4 176.2 -54.5 71.4 28.7 0 0.0 4 -1.8 0 0.0 0 0.0 11 27
32 641 ARG R T T 3 TS+ 0 0 75.1 11.9 177.4 92.4 122.2 57.6 0 0.0 0 0.0 0 0.0 0 0.0 8 24
33 642 SER S S t < TS- 0 0 -133.8 111.2 -179.0 -111.6 85.0 164.7 30 -1.5 0 0.0 0 0.0 0 0.0 12 28
34 643 PRO P - 0 0 -47.2 132.8 176.4 -107.7 30.5 98.8 0 0.0 0 0.0 0 0.0 0 0.0 8 33
35 644 ILE I - 0 0 -62.0 126.6 -179.3 -171.6 32.4 115.6 0 0.0 0 0.0 0 0.0 0 0.0 12 40
36 645 LEU L e - 0 0 -92.2 -34.4 -178.6 -32.2 58.2 41.5 82 -2.9 60 -0.7 0 0.0 0 0.0 10 37
37 646 HIS H E E BCD - 82 59 -173.8 171.1 177.4 -120.8 54.5 165.2 82 -1.1 82 -2.3 0 0.0 0 0.0 11 43
38 647 TYR Y E E BCD - 81 58 -125.2 157.1 171.8 -144.6 11.1 151.3 58 -2.0 58 -3.1 0 0.0 0 0.0 14 55
39 648 THR T E E BC* - 80 0 -116.8 134.9 173.8 -151.9 9.2 172.0 80 -2.0 80 -2.0 0 0.0 41 -0.5 13 52
40 649 ILE I E E BCD - 79 55 -104.6 122.0 179.2 -169.8 19.6 160.9 55 -2.9 54 -3.1 0 0.0 55 -1.8 13 58
41 650 GLN Q E E BCD - 78 53 -108.0 159.2 179.0 -168.7 3.0 145.8 78 -2.7 78 -2.0 39 -0.5 0 0.0 13 55
42 651 PHE F E E BCD - 77 52 -145.7 150.9 172.2 -167.4 9.9 169.2 52 -2.7 52 -2.7 0 0.0 0 0.0 12 50
43 652 ASN N E E BC - 76 0 -130.9 161.2 179.8 -152.2 11.9 155.4 76 -2.0 76 -1.8 0 0.0 0 0.0 13 44
44 653 THR T E E BC - 75 0 -126.9 169.3 179.1 -107.0 32.2 147.7 0 0.0 0 0.0 0 0.0 0 0.0 11 41
45 654 SER S S e S+ 0 0 -70.1 -16.2 -179.6 63.0 116.8 44.9 74 -0.9 0 0.0 0 0.0 0 0.0 8 34
46 655 PHE F S S S+ 0 0 -72.4 -44.3 -178.7 11.3 125.4 25.0 0 0.0 0 0.0 0 0.0 0 0.0 7 34
47 656 THR T S t > TS+ 0 0 -132.9 64.2 -178.4 165.9 76.1 115.6 0 0.0 50 -2.5 0 0.0 0 0.0 7 24
48 657 PRO P T T 3 TS+ 0 0 -54.6 -27.8 178.9 57.0 74.1 46.5 0 0.0 0 0.0 0 0.0 0 0.0 8 26
49 658 ALA A T T 3 TS+ 0 0 -81.8 -8.5 -179.9 83.9 93.4 57.8 0 0.0 51 -0.5 0 0.0 0 0.0 5 18
50 659 SER S t < T - 0 0 -102.0 123.9 178.2 -167.0 58.9 150.1 47 -2.5 52 -0.6 0 0.0 0 0.0 7 24
51 660 TRP W - 0 0 -107.4 119.1 -178.2 -178.7 16.1 159.2 49 -0.5 0 0.0 0 0.0 0 0.0 8 31
52 661 ASP D E E BD - 42 0 -116.8 160.8 -178.2 -91.7 33.8 145.7 42 -2.7 42 -2.7 50 -0.6 0 0.0 7 33
53 662 ALA A E E BD + 41 0 -77.4 123.1 174.9 178.4 30.4 121.4 0 0.0 0 0.0 0 0.0 0 0.0 9 35
54 663 ALA A E E B* S- 0 0 -83.9 -38.0 177.0 -10.2 83.2 39.8 40 -3.1 0 0.0 0 0.0 0 0.0 9 42
55 664 TYR Y E E BD - 40 0 -161.0 131.2 178.3 -155.3 67.9 151.9 40 -1.8 40 -2.9 0 0.0 0 0.0 9 36
56 665 GLU E E E B* S+ 0 0 -108.1 154.4 -179.4 21.2 74.4 142.9 0 0.0 0 0.0 0 0.0 0 0.0 8 35
57 666 LYS K E E B* S- 0 0 56.2 44.1 175.4 -178.4 72.5 26.2 0 0.0 0 0.0 0 0.0 0 0.0 7 31
58 667 VAL V E E BD - 38 0 -66.5 132.3 -180.0 -88.7 43.7 122.2 38 -3.1 38 -2.0 0 0.0 0 0.0 11 35
59 668 PRO P E E BD > T - 37 0 -49.5 140.9 179.6 -128.4 26.0 101.0 0 0.0 62 -2.1 0 0.0 0 0.0 8 30
60 669 ASN N T e 3 TS+ 0 0 -65.2 -14.6 178.4 62.1 108.9 46.8 36 -0.7 0 0.0 0 0.0 0 0.0 9 38
61 670 THR T T T 3 TS+ 0 0 -88.3 -8.7 179.0 94.3 84.5 57.9 0 0.0 0 0.0 0 0.0 0 0.0 4 27
62 671 ASP D t < T + 0 0 -83.9 143.8 175.3 176.5 41.2 130.5 59 -2.1 0 0.0 0 0.0 0 0.0 7 34
63 672 SER S S e S+ 0 0 -123.7 5.0 173.7 31.3 77.1 78.9 0 0.0 25 -2.6 0 0.0 0 0.0 9 40
64 673 SER S E E AB - 24 0 -155.6 155.7 -178.4 -173.4 65.0 165.8 0 0.0 0 0.0 0 0.0 0 0.0 8 42
65 674 PHE F E E AB - 23 0 -155.3 143.3 -179.8 -129.5 21.3 165.7 23 -1.7 23 -2.4 0 0.0 0 0.0 9 45
66 675 VAL V E E AB - 22 0 -99.3 124.7 -179.8 -172.9 25.8 146.1 0 0.0 0 0.0 0 0.0 0 0.0 8 41
67 676 VAL V E E AB - 21 0 -119.3 139.1 -179.7 -119.2 23.5 163.5 21 -3.0 21 -2.6 0 0.0 0 0.0 10 48
68 677 GLN Q E E AB - 20 0 -75.3 145.9 178.8 -155.8 24.7 117.0 0 0.0 0 0.0 0 0.0 0 0.0 7 42
69 678 MET M e - 0 0 -125.3 137.2 179.9 -131.3 10.8 169.2 19 -2.6 0 0.0 0 0.0 0 0.0 9 48
70 679 SER S - 0 0 -82.3 153.1 178.9 -89.5 36.4 119.1 0 0.0 0 0.0 0 0.0 0 0.0 10 44
71 680 PRO P S S S+ 0 0 -62.1 154.5 179.7 23.1 101.7 102.3 0 0.0 134 -0.5 0 0.0 0 0.0 13 44
72 681 TRP W S S S+ 0 0 53.2 71.9 179.4 109.2 95.8 14.3 100 -1.3 0 0.0 0 0.0 0 0.0 13 43
73 682 ALA A E E B E - 0 99 -163.4 157.7 172.4 -135.2 59.7 170.8 99 -0.7 99 -2.8 0 0.0 0 0.0 13 45
74 683 ASN N E E B E - 0 98 -115.0 137.7 -179.4 -169.4 31.7 171.5 0 0.0 45 -0.9 0 0.0 0 0.0 10 47
75 684 TYR Y E E BCE - 44 97 -131.1 140.1 169.5 -176.2 16.5 162.5 97 -2.8 97 -2.1 0 0.0 0 0.0 12 53
76 685 THR T E E BC - 43 0 -128.5 146.8 -176.6 -158.9 17.3 165.7 43 -1.8 43 -2.0 0 0.0 0 0.0 12 52
77 686 PHE F E E BC - 42 0 -124.0 160.2 175.3 -174.1 11.3 150.1 0 0.0 94 -3.1 0 0.0 0 0.0 13 58
78 687 ARG R E E BC - 41 0 -148.5 160.4 -177.0 -132.0 17.1 162.9 41 -2.0 41 -2.7 0 0.0 0 0.0 13 56
79 688 VAL V E E BC - 40 0 -125.0 138.5 178.9 -166.0 10.9 162.0 0 0.0 91 -2.5 0 0.0 0 0.0 16 61
80 689 ILE I E E BC - 39 0 -120.4 135.1 178.2 -146.8 12.4 165.7 39 -2.0 39 -2.0 0 0.0 0 0.0 15 57
81 690 ALA A E E BC - 38 0 -101.5 139.0 178.3 -160.6 13.6 150.7 0 0.0 88 -2.8 0 0.0 0 0.0 18 54
82 691 PHE F E E BCF + 37 87 -121.3 139.8 172.6 167.7 15.1 161.3 37 -2.3 36 -2.9 0 0.0 37 -1.1 14 46
83 692 ASN N E E B F> T - 0 86 -131.4 -178.3 -178.8 -81.6 58.4 139.2 86 -1.9 86 -0.5 0 0.0 0 0.0 14 38
84 693 LYS K T T 3 TS+ 0 0 -59.2 -26.3 179.9 56.0 129.7 36.1 0 0.0 0 0.0 0 0.0 0 0.0 9 27
85 694 ILE I T T 3 TS- 0 0 -73.6 -35.7 179.0 -102.5 118.3 28.5 0 0.0 0 0.0 0 0.0 0 0.0 9 27
86 695 GLY G E E BF < T - 83 0 150.7 -160.3 -178.4 -17.6 54.2 168.7 83 -0.5 83 -1.9 0 0.0 0 0.0 9 32
87 696 ALA A E E BF - 82 0 -87.9 141.9 174.5 -135.9 48.3 126.9 0 0.0 0 0.0 0 0.0 0 0.0 10 39
88 697 SER S e - 0 0 -79.3 169.8 177.3 -86.6 41.0 106.3 81 -2.8 0 0.0 0 0.0 0 0.0 11 42
89 698 PRO P - 0 0 -70.5 158.0 180.0 -91.7 62.2 117.1 0 0.0 0 0.0 0 0.0 0 0.0 8 34
90 699 PRO P - 0 0 -71.8 154.7 175.7 -109.6 38.3 110.9 0 0.0 0 0.0 0 0.0 0 0.0 10 45
91 700 SER S - 0 0 -68.8 169.4 175.4 -82.3 49.4 105.5 79 -2.5 0 0.0 0 0.0 0 0.0 11 42
92 701 ALA A - 0 0 -67.1 151.3 179.5 -96.4 61.6 116.6 0 0.0 0 0.0 0 0.0 0 0.0 8 35
93 702 HIS H - 0 0 -72.9 155.6 -178.0 -112.0 40.1 110.4 0 0.0 0 0.0 0 0.0 0 0.0 9 44
94 703 SER S - 0 0 -76.2 174.4 173.9 -85.1 36.9 95.3 77 -3.1 0 0.0 0 0.0 0 0.0 10 43
95 704 ASP D - 0 0 -69.0 161.5 -178.8 -94.5 63.6 116.0 0 0.0 0 0.0 0 0.0 0 0.0 8 34
96 705 SER S - 0 0 -87.2 155.5 173.5 -151.6 27.6 118.3 0 0.0 0 0.0 0 0.0 0 0.0 8 40
97 706 CYS C E E BE - 75 0 -115.4 144.1 178.5 -156.0 11.2 159.2 75 -2.1 75 -2.8 0 0.0 0 0.0 9 42
98 707 THR T E E BE - 74 0 -121.1 132.7 178.4 -153.0 6.2 163.1 0 0.0 0 0.0 0 0.0 0 0.0 9 36
99 708 THR T E E BE - 73 0 -107.8 153.2 179.5 -117.7 16.9 152.4 73 -2.8 73 -0.7 0 0.0 0 0.0 12 39
100 709 GLN Q - 0 0 -80.5 160.1 -180.0 -91.2 37.5 108.3 0 0.0 72 -1.3 0 0.0 0 0.0 8 33
101 710 PRO P + 0 0 -70.0 158.7 175.1 162.1 47.5 102.2 0 0.0 0 0.0 0 0.0 0 0.0 10 36
102 711 ASP D - 0 0 -159.9 174.5 177.2 -71.8 47.2 155.9 134 -2.5 0 0.0 0 0.0 0 0.0 9 36
103 712 VAL V - 0 0 -69.4 162.8 179.1 -83.2 67.0 108.8 0 0.0 0 0.0 0 0.0 0 0.0 14 40
104 713 PRO P - 0 0 -63.8 152.1 -179.7 -145.1 33.8 115.6 0 0.0 191 -1.5 0 0.0 0 0.0 16 46
105 714 PHE F S S S+ 0 0 -101.7 2.6 177.0 21.0 75.3 69.8 0 0.0 0 0.0 0 0.0 0 0.0 9 41
106 715 LYS K - 0 0 -157.2 169.5 176.0 -127.3 68.5 162.4 0 0.0 0 0.0 0 0.0 0 0.0 9 42
107 716 ASN N - 0 0 -113.9 165.0 -179.5 -67.6 53.9 140.3 0 0.0 0 0.0 0 0.0 0 0.0 11 48
108 717 PRO P - 0 0 -60.4 142.8 178.3 -129.9 49.3 102.8 0 0.0 0 0.0 0 0.0 0 0.0 12 54
109 718 ASP D S S S+ 0 0 -81.6 169.7 175.9 31.2 79.3 111.5 0 0.0 126 -2.6 0 0.0 0 0.0 7 38
110 719 ASN N - 0 0 50.6 44.6 178.2 -175.0 69.0 37.9 0 0.0 0 0.0 0 0.0 0 0.0 7 31
111 720 VAL V + 0 0 -69.2 123.0 178.0 176.7 7.8 120.0 0 0.0 0 0.0 0 0.0 0 0.0 12 42
112 721 VAL V E E CG - 124 0 -131.7 137.5 175.2 -164.1 20.5 169.8 124 -2.5 124 -2.8 0 0.0 0 0.0 11 45
113 722 GLY G E E CG + 123 0 -118.5 113.0 179.7 137.1 34.0 166.8 0 0.0 200 -1.6 0 0.0 0 0.0 15 51
114 723 GLN Q E E CGa - 122 200 -158.6 135.0 178.4 -118.4 48.4 159.3 122 -2.7 122 -1.2 0 0.0 0 0.0 14 44
115 724 GLY G - 0 0 -70.5 152.6 176.2 -162.8 9.1 107.2 200 -1.7 0 0.0 202 -1.7 0 0.0 14 38
116 725 THR T S S S+ 0 0 -104.4 -18.6 177.9 24.9 84.2 58.8 0 0.0 0 0.0 0 0.0 0 0.0 9 30
117 726 GLU E S t > TS- 0 0 -137.2 163.3 -178.7 -88.8 101.9 157.6 0 0.0 120 -1.7 0 0.0 202 -0.6 8 27
118 727 PRO P T T 3 TS+ 0 0 -44.2 -43.0 -177.0 34.5 119.6 36.7 0 0.0 0 0.0 0 0.0 0 0.0 11 26
119 728 ASN N T T 3 TS+ 0 0 -110.4 29.1 175.2 77.2 103.9 92.3 0 0.0 171 -2.5 0 0.0 0 0.0 12 29
120 729 ASN N t < T - 0 0 -129.9 171.2 178.6 -149.8 55.7 146.8 117 -1.7 202 -2.4 0 0.0 0 0.0 17 35
121 730 LEU L E E C H - 0 168 -138.7 117.4 177.7 -159.6 11.8 164.7 168 -2.1 168 -2.4 0 0.0 123 -0.6 17 47
122 731 VAL V E E CGH - 114 167 -103.7 121.2 178.3 -160.2 3.2 158.0 114 -1.2 114 -2.7 0 0.0 124 -0.6 14 51
123 732 ILE I E E CGH + 113 166 -99.3 123.4 -179.2 174.4 20.3 157.7 166 -2.4 166 -2.0 121 -0.6 0 0.0 12 54
124 733 SER S E E CGH + 112 165 -130.7 158.4 -179.1 166.4 9.8 148.4 112 -2.8 112 -2.5 122 -0.6 0 0.0 11 50
125 734 TRP W e - 0 0 -157.2 170.4 178.0 -88.5 43.4 164.0 164 -2.2 0 0.0 0 0.0 0 0.0 12 45
126 735 THR T - 0 0 -91.2 127.2 179.5 -116.6 48.3 143.1 109 -2.6 0 0.0 0 0.0 0 0.0 9 35
127 736 PRO P - 0 0 -60.1 144.9 177.8 -127.9 23.0 103.7 0 0.0 0 0.0 0 0.0 0 0.0 10 37
128 737 MET M - 0 0 -96.2 125.3 179.9 -125.8 25.0 151.4 0 0.0 0 0.0 0 0.0 0 0.0 9 44
129 738 PRO P g > T - 0 0 -67.5 161.6 -176.1 -97.6 29.9 103.6 0 0.0 132 -2.2 0 0.0 0 0.0 8 42
130 739 GLU E G G > > TS+ 0 0 -52.5 -34.3 179.3 66.4 118.3 40.7 0 0.0 133 -1.6 0 0.0 134 -0.6 7 46
131 740 ILE I G G 4 3 TS+ 0 0 -63.6 -18.9 177.7 48.0 104.3 45.2 0 0.0 0 0.0 0 0.0 0 0.0 10 51
132 741 GLU E G G 4 < TS+ 0 0 -97.6 -1.8 -176.6 85.6 89.1 59.8 129 -2.2 0 0.0 0 0.0 0 0.0 11 52
133 742 HIS H T g 4 < T - 0 0 -66.9 -42.4 174.0 -168.1 67.3 31.3 130 -1.6 0 0.0 0 0.0 0 0.0 12 52
134 743 ASN N t < T + 0 0 73.6 -4.2 175.7 21.2 59.1 73.1 130 -0.6 102 -2.5 71 -0.5 0 0.0 17 48
135 744 ALA A S S S- 0 0 -176.5 163.7 179.2 -72.6 93.8 161.4 0 0.0 0 0.0 0 0.0 0 0.0 14 40
136 745 PRO P S S S+ 0 0 -64.7 164.5 179.3 32.3 106.9 104.6 0 0.0 186 -2.3 0 0.0 0 0.0 8 36
137 746 ASN N S S S- 0 0 55.7 40.3 177.4 -178.4 77.7 30.3 0 0.0 0 0.0 0 0.0 0 0.0 7 35
138 747 PHE F + 0 0 -63.7 139.6 176.5 159.5 9.5 117.3 0 0.0 0 0.0 0 0.0 0 0.0 13 45
139 748 HIS H E E DI - 184 0 -156.4 164.8 176.8 -111.9 39.4 166.4 184 -2.9 184 -2.5 0 0.0 0 0.0 12 48
140 749 TYR Y E E DIJ - 183 158 -99.6 144.9 176.7 -154.1 20.0 142.4 158 -2.3 158 -3.0 0 0.0 142 -0.5 12 58
141 750 TYR Y E E DIJ - 182 157 -121.5 108.2 -177.5 -165.9 14.9 167.5 182 -2.6 182 -2.6 0 0.0 0 0.0 12 53
142 751 VAL V E E DIJ - 181 156 -101.3 130.4 -178.3 -177.3 7.1 148.5 156 -2.8 156 -1.9 140 -0.5 0 0.0 12 56
143 752 SER S E E DIJ + 180 155 -130.0 146.0 -180.0 169.0 4.9 163.5 180 -2.9 180 -2.4 0 0.0 0 0.0 11 47
144 753 TRP W E E DIJ + 179 154 -153.3 154.1 176.6 170.4 5.7 172.6 154 -2.1 154 -2.9 0 0.0 0 0.0 11 51
145 754 LYS K E E DI - 178 0 -161.7 150.0 176.6 -100.2 39.5 164.5 178 -1.6 178 -3.2 0 0.0 0 0.0 11 43
146 755 ARG R E E DI - 177 0 -65.7 148.6 179.1 -110.3 44.5 115.0 0 0.0 148 -2.2 0 0.0 0 0.0 9 40
147 756 ASP D S e S+ 0 0 -84.8 71.0 -178.7 126.0 77.3 119.2 176 -2.0 0 0.0 0 0.0 0 0.0 8 29
148 757 ILE I S t > TS- 0 0 -126.9 140.5 179.9 -96.1 71.5 168.3 146 -2.2 151 -2.1 0 0.0 0 0.0 5 20
149 758 PRO P T T 3 TS+ 0 0 -59.0 138.2 179.0 11.9 110.5 105.0 0 0.0 0 0.0 0 0.0 0 0.0 4 13
150 759 ALA A T T 3 TS+ 0 0 75.0 -1.1 178.9 148.4 88.8 66.0 0 0.0 0 0.0 0 0.0 0 0.0 4 12
151 760 ALA A t < T - 0 0 -66.0 134.7 178.7 -132.7 42.4 114.6 148 -2.1 0 0.0 0 0.0 0 0.0 8 17
152 761 ALA A - 0 0 -92.7 145.3 178.0 -107.8 18.3 133.9 0 0.0 0 0.0 0 0.0 0 0.0 5 18
153 762 TRP W - 0 0 -67.3 136.4 173.4 -149.3 25.9 119.4 0 0.0 0 0.0 0 0.0 0 0.0 7 28
154 763 GLU E E E DJ - 144 0 -103.5 141.1 -175.7 -157.2 21.0 155.8 144 -2.9 144 -2.1 0 0.0 0 0.0 7 31
155 764 ASN N E E DJ - 143 0 -125.9 156.7 -179.1 -172.2 17.1 149.9 0 0.0 0 0.0 0 0.0 0 0.0 8 31
156 765 ASN N E E DJ - 142 0 -149.6 128.5 178.2 -142.7 16.3 168.9 142 -1.9 142 -2.8 0 0.0 0 0.0 7 34
157 766 ASN N E E DJ - 141 0 -91.2 131.6 -179.4 -164.7 12.2 141.7 0 0.0 159 -0.6 0 0.0 0 0.0 8 39
158 767 ILE I E E DJ + 140 0 -120.6 101.6 -176.7 178.2 10.0 156.9 140 -3.0 140 -2.3 0 0.0 0 0.0 10 38
159 768 PHE F + 0 0 -81.3 -9.6 177.9 87.1 59.8 53.5 157 -0.6 161 -0.9 0 0.0 0 0.0 8 32
160 769 ASP D t > T - 0 0 -91.2 103.3 -178.7 -161.8 63.4 142.6 0 0.0 163 -1.8 0 0.0 0 0.0 6 31
161 770 TRP W T T 3 TS+ 0 0 -60.5 -20.6 178.2 58.5 88.9 44.0 159 -0.9 0 0.0 0 0.0 0 0.0 12 40
162 771 ARG R T T 3 TS+ 0 0 -82.0 -16.8 -179.8 103.7 81.4 49.0 0 0.0 0 0.0 0 0.0 0 0.0 7 28
163 772 GLN Q t < T - 0 0 -67.8 136.3 -176.5 -174.9 47.9 118.3 160 -1.8 0 0.0 0 0.0 0 0.0 7 32
164 773 ASN N e + 0 0 -118.8 10.2 179.3 18.8 54.9 72.5 0 0.0 125 -2.2 0 0.0 0 0.0 9 37
165 774 ASN N E E CH - 124 0 -167.6 165.5 171.4 -145.0 49.4 173.5 0 0.0 0 0.0 0 0.0 0 0.0 8 44
166 775 ILE I E E CH - 123 0 -136.7 145.3 -179.5 -138.5 20.6 167.3 123 -2.0 123 -2.4 0 0.0 168 -0.5 7 45
167 776 VAL V E E CH - 122 0 -109.1 122.4 -178.9 -167.7 15.1 157.9 0 0.0 169 -0.5 0 0.0 0 0.0 8 40
168 777 ILE I E E CH - 121 0 -111.9 125.2 -176.7 -175.6 16.1 164.9 121 -2.4 121 -2.1 166 -0.5 0 0.0 9 44
169 778 ALA A + 0 0 -119.1 -175.8 -177.6 52.4 49.7 120.1 167 -0.5 0 0.0 0 0.0 0 0.0 7 32
170 779 ASP D S S S+ 0 0 56.8 42.4 179.8 147.3 77.1 28.6 0 0.0 0 0.0 0 0.0 0 0.0 6 23
171 780 GLN Q - 0 0 -105.2 156.5 178.3 -103.5 55.8 133.8 119 -2.5 0 0.0 0 0.0 0 0.0 9 33
172 781 PRO P - 0 0 -71.0 149.9 178.2 -102.1 50.0 120.8 0 0.0 0 0.0 0 0.0 0 0.0 9 29
173 782 THR T S S S+ 0 0 -79.8 148.7 177.5 4.9 91.5 115.0 0 0.0 0 0.0 0 0.0 0 0.0 9 28
174 783 PHE F S S S+ 0 0 49.9 53.1 175.1 140.1 88.0 29.9 0 0.0 0 0.0 0 0.0 0 0.0 11 32
175 784 VAL V e - 0 0 -120.5 156.2 -177.2 -109.6 50.3 151.2 0 0.0 201 -2.0 0 0.0 0 0.0 9 37
176 785 LYS K E E D K - 0 200 -89.3 142.7 179.8 -175.9 31.2 132.8 0 0.0 147 -2.0 0 0.0 0 0.0 10 39
177 786 TYR Y E E DIK - 146 199 -133.3 154.8 175.1 -134.8 23.3 157.7 199 -2.6 199 -2.2 0 0.0 0 0.0 13 49
178 787 LEU L E E DIK - 145 198 -108.6 131.7 -176.4 -170.4 33.3 162.2 145 -3.2 145 -1.6 0 0.0 0 0.0 12 41
179 788 ILE I E E DIK - 144 197 -130.8 143.7 176.3 -176.3 16.1 164.3 197 -2.7 197 -3.2 0 0.0 0 0.0 13 51
180 789 LYS K E E DI - 143 0 -135.0 141.0 175.0 -166.6 7.9 171.9 143 -2.4 143 -2.9 0 0.0 0 0.0 12 53
181 790 VAL V E E DI - 142 0 -127.4 111.9 -178.3 -175.2 19.6 170.1 0 0.0 0 0.0 0 0.0 0 0.0 13 58
182 791 VAL V E E DI - 141 0 -113.4 140.6 175.2 -134.2 21.7 154.2 141 -2.6 141 -2.6 0 0.0 0 0.0 12 59
183 792 ALA A E E DI + 140 0 -89.9 136.7 179.1 176.3 30.6 144.2 0 0.0 190 -2.1 0 0.0 0 0.0 14 58
184 793 ILE I E E DIL + 139 189 -139.9 142.6 175.2 166.7 7.7 169.6 139 -2.5 139 -2.9 0 0.0 0 0.0 14 48
185 794 ASN N E E D L> T - 0 188 -138.9 -172.6 180.0 -70.0 57.7 144.6 188 -2.0 188 -1.9 0 0.0 0 0.0 15 43
186 795 ASP D T T 3 TS+ 0 0 -53.7 -29.9 -178.8 54.2 129.3 39.1 136 -2.3 0 0.0 0 0.0 0 0.0 9 30
187 796 ARG R T T 3 TS- 0 0 -82.4 -14.0 179.6 -92.1 121.1 51.8 0 0.0 0 0.0 0 0.0 0 0.0 9 29
188 797 GLY G E E DL < T - 185 0 134.0 -175.3 179.3 -36.2 57.4 144.6 185 -1.9 185 -2.0 0 0.0 0 0.0 8 32
189 798 GLU E E E DL S- 184 0 -77.6 164.4 179.9 -75.8 79.3 110.8 0 0.0 0 0.0 0 0.0 0 0.0 10 38
190 799 SER S e - 0 0 -57.1 157.6 179.2 -124.5 34.2 99.4 183 -2.1 0 0.0 0 0.0 0 0.0 13 38
191 800 ASN N S S S+ 0 0 -90.5 15.0 178.1 76.8 90.1 79.8 104 -1.5 0 0.0 0 0.0 0 0.0 8 29
192 801 VAL V S S S- 0 0 -124.6 132.1 179.9 -117.1 87.5 173.9 0 0.0 0 0.0 0 0.0 0 0.0 7 28
193 802 ALA A - 0 0 -69.6 132.9 -179.8 -120.6 32.8 120.5 0 0.0 0 0.0 0 0.0 0 0.0 5 27
194 803 ALA A - 0 0 -74.3 147.9 179.4 -108.2 27.3 117.2 0 0.0 0 0.0 0 0.0 0 0.0 8 34
195 804 GLU E - 0 0 -74.5 136.3 177.2 -124.3 25.5 123.5 0 0.0 197 -1.1 0 0.0 0 0.0 5 33
196 805 GLU E - 0 0 -83.2 103.5 -177.7 -155.1 35.6 140.4 0 0.0 0 0.0 0 0.0 0 0.0 7 36
197 806 VAL V E E DK - 179 0 -86.1 139.1 179.0 -130.1 9.0 125.7 179 -3.2 179 -2.7 195 -1.1 0 0.0 10 37
198 807 VAL V E E DK + 178 0 -87.8 129.2 179.3 175.7 33.9 140.0 0 0.0 0 0.0 0 0.0 0 0.0 10 38
199 808 GLY G E E DK - 177 0 -130.7 166.4 179.3 -144.6 18.8 154.3 177 -2.2 177 -2.6 0 0.0 0 0.0 12 50
200 809 TYR Y E E DKa - 176 114 -134.5 134.5 175.3 -131.0 14.1 173.6 113 -1.6 115 -1.7 0 0.0 0 0.0 15 42
201 810 SER S S e S+ 0 0 -72.9 158.8 -177.3 30.5 80.7 116.3 175 -2.0 0 0.0 0 0.0 0 0.0 20 39
202 811 GLY G S S S- 0 0 77.3 175.8 -177.3 -70.4 108.1 93.6 120 -2.4 115 -1.7 117 -0.6 0 0.0 15 31
203 812 GLU E S S S+ 0 0 -88.3 2.8 -178.9 76.4 104.1 63.7 0 0.0 0 0.0 0 0.0 0 0.0 11 30
204 813 ASP D 0 0 -119.5 152.5 178.5 999.9 999.9 145.5 0 0.0 0 0.0 0 0.0 0 0.0 8 25
205 814 ARG R 0 0 -116.0 999.9 999.9 999.9 999.9 51.8 0 0.0 0 0.0 0 0.0 0 0.0 4 26
1cfb-.pdb
1CFB NEURAL ADHESION MOLECULE DROSOPHILA NEUROGLIAN (CHYMOTRYPTIC FRAGMENT CONTA (DROSOPHILA MELANOGASTER) RECOMBINANT FORM AS SE
author author
Kabs/Sand EEEEEEE SSEEEEEEE TTS EEEEEEEESSSTT EEEEEEEETT SEEEEE SSEEEEEEEEEEETTEE EEE Kabs/Sand
chirality -+------------+-++----+-------+------------+++++---+--+---++++-------++---------+-+---------------- chirality
bends SS SSS SSSSS S SS SS S SS SS bends
turns TTTT TTTT TTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33< 3-turns
bridge-2 BBBBB DD*DDD EEE FF bridge-2
bridge-1 AA*AAAA AAAAAA CCCCCCCC DD*D**DD BBBBB CCCCCCCC FF EEE bridge-1
sheets AAAAAAA AAAAAAA BBBBBBBB BBBBBBBB AAAAA BBBBBBBBBBB BB BBB sheets
4-turns 4-turns
summary EEEEEEEeSeEEEEEEE tTTt eEEEEEEEEeStTTt EEEEEEEEeTteEEEEEe SSEEEEEEEEEEETTEEe EEE summary
sequence IVQDVPNAPKLTGITCQADKAEIHWEQQGDNRSPILHYTIQFNTSFTPASWDAAYEKVPNTDSSFVVQMSPWANYTFRVIAFNKIGASPPSAHSDSCTTQ sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand S S EEE SSTT EEEE GGGT SSS EEEEEEEESSTT EEEEE TT EEEE S SS EEEEEEEEEETTEE SS EEEE Kabs/Sand
chirality +---+---+-+-+--+-++---++-----+++-+-+-+----++--+-++-------++-++-+----++--++--------++-+----+------+-- chirality
bends S S SSSS SSS SSS SSSS SS S SS SS S SS bends
turns TTTT TTTTTT TTTT TTTT TTTT turns
5-turns 5-turns
3-turns >33< >>3<< >33< >33< >33< 3-turns
bridge-2 a HHHH JJJJJ KKKK LL a bridge-2
bridge-1 GGG GGG IIIIIIII JJJJJ HHHH IIIIIIII LL KKKK bridge-1
sheets CCC CCCC DDDDDDDD DDDDD CCCC DDDDDDDDDD DD DDDD sheets
4-turns >444< 4-turns
summary S S EEE StTTtEEEEe gGGGgtSSS EEEEEEEEetTTt EEEEE tTTteEEEE S SSeEEEEEEEEEETTEEeSS EEEE summary
sequence PDVPFKNPDNVVGQGTEPNNLVISWTPMPEIEHNAPNFHYYVSWKRDIPAAAWENNNIFDWRQNNIVIADQPTFVKYLIKVVAINDRGESNVAAEEVVGY sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand SSS Kabs/Sand
chirality +-+ chirality
bends SSS bends
turns turns
5-turns 5-turns
3-turns 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns 4-turns
summary eSS summary
sequence SGEDR sequence