Secondary structure calculation program - copyright by David Keith Smith, 1989
1bmtA.pdb
1BMT METHYLTRANSFERASE METHIONINE SYNTHASE (B12-BINDING DOMAINS) (E.C.2.1 (ESCHERICHIA COLI)
Sequence length - 246
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 A 651 GLN Q 0 0 999.9 178.9 -179.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 7
2 A 652 ALA A - 0 0 -176.4 -166.1 -179.3 -22.9 999.9 162.0 0 0.0 0 0.0 0 0.0 0 0.0 5 10
3 A 653 GLU E - 0 0 -67.4 153.8 179.1 -101.6 61.2 102.6 0 0.0 0 0.0 0 0.0 0 0.0 5 17
4 A 654 TRP W S t > TS+ 0 0 -40.8 -25.6 -178.2 91.4 104.4 47.7 0 0.0 7 -2.3 0 0.0 6 -0.8 7 25
5 A 655 ARG R T T 3 TS+ 0 0 -66.6 21.5 178.7 48.9 84.5 82.0 0 0.0 0 0.0 0 0.0 0 0.0 6 27
6 A 656 SER S T T 3 TS+ 0 0 -134.2 -9.3 -177.9 106.4 87.8 66.8 4 -0.8 0 0.0 0 0.0 0 0.0 7 19
7 A 657 TRP W S t < TS- 0 0 -68.5 179.8 178.0 -67.6 85.5 85.7 4 -2.3 0 0.0 0 0.0 0 0.0 7 23
8 A 658 GLU E h > T - 0 0 -65.4 140.6 -179.9 -118.5 50.0 117.6 0 0.0 12 -2.1 0 0.0 0 0.0 6 31
9 A 659 VAL V H H > TS+ 0 0 -49.5 -46.2 175.9 49.3 118.6 28.2 0 0.0 13 -2.2 0 0.0 0 0.0 9 36
10 A 660 ASN N H H > TS+ 0 0 -60.0 -36.6 178.2 48.1 112.7 29.1 0 0.0 14 -2.0 0 0.0 0 0.0 8 42
11 A 661 LYS K H H > TS+ 0 0 -76.9 -21.2 177.6 51.1 110.6 44.0 0 0.0 15 -1.0 0 0.0 0 0.0 9 39
12 A 662 ARG R H H X TS+ 0 0 -81.9 -31.1 179.4 53.8 108.1 36.3 8 -2.1 16 -2.2 0 0.0 0 0.0 13 44
13 A 663 LEU L H H X TS+ 0 0 -63.4 -62.6 179.3 50.1 105.8 4.9 9 -2.2 17 -1.7 0 0.0 0 0.0 14 57
14 A 664 GLU E H H X TS+ 0 0 -45.0 -41.1 179.0 50.4 112.1 31.6 10 -2.0 18 -1.9 0 0.0 0 0.0 13 55
15 A 665 TYR Y H H X TS+ 0 0 -63.9 -56.8 -179.7 53.5 105.4 11.1 11 -1.0 19 -2.3 0 0.0 0 0.0 10 50
16 A 666 SER S H H X >TS+ 0 0 -47.1 -34.9 -179.3 50.8 109.9 41.0 12 -2.2 21 -1.4 0 0.0 20 -0.7 14 50
17 A 667 LEU L H H < 5TS+ 0 0 -71.7 -47.9 179.4 47.7 110.1 19.0 13 -1.7 0 0.0 0 0.0 0 0.0 16 57
18 A 668 VAL V H H < 5TS+ 0 0 -56.9 -52.6 -178.7 35.9 120.9 19.0 14 -1.9 0 0.0 0 0.0 0 0.0 12 49
19 A 669 LYS K H H < 5TS- 0 0 -81.6 -9.0 179.6 -123.5 105.4 60.5 15 -2.3 0 0.0 0 0.0 0 0.0 8 42
20 A 670 GLY G T h < 5T + 0 0 69.0 35.2 180.0 165.2 48.3 33.5 16 -0.7 22 -0.6 0 0.0 0 0.0 12 41
21 A 671 ILE I t TS+ 0 0 -125.4 12.8 -177.7 108.0 87.7 69.3 0 0.0 28 -2.6 0 0.0 0 0.0 8 41
25 A 675 ILE I H H > TS+ 0 0 -59.2 -46.6 -179.8 39.6 85.3 25.3 0 0.0 29 -2.7 0 0.0 0 0.0 13 47
26 A 676 GLU E H H > TS+ 0 0 -67.3 -53.8 179.3 48.3 117.2 16.3 0 0.0 30 -3.1 0 0.0 0 0.0 9 41
27 A 677 GLN Q H H > TS+ 0 0 -52.1 -40.1 -178.7 43.3 118.3 28.7 0 0.0 31 -1.4 0 0.0 0 0.0 7 35
28 A 678 ASP D H H X TS+ 0 0 -75.1 -42.0 179.8 51.3 111.6 30.8 24 -2.6 32 -2.0 0 0.0 0 0.0 11 46
29 A 679 THR T H H X TS+ 0 0 -62.9 -43.1 179.2 55.8 107.2 22.2 25 -2.7 33 -2.6 0 0.0 0 0.0 13 54
30 A 680 GLU E H H X TS+ 0 0 -55.8 -47.2 179.1 49.1 106.3 21.9 26 -3.1 34 -2.2 0 0.0 0 0.0 8 43
31 A 681 GLU E H H < TS+ 0 0 -58.9 -40.5 178.2 47.9 113.6 28.1 27 -1.4 0 0.0 0 0.0 0 0.0 9 36
32 A 682 ALA A H H X > TS+ 0 0 -67.5 -36.5 -179.9 56.4 107.7 30.4 28 -2.0 36 -1.4 0 0.0 35 -0.9 11 42
33 A 683 ARG R H H < 3 TS+ 0 0 -62.0 -45.6 -179.4 55.8 101.5 23.9 29 -2.6 0 0.0 0 0.0 0 0.0 10 40
34 A 684 GLN Q T h < 3 TS+ 0 0 -65.9 -12.0 179.5 47.9 109.3 52.6 30 -2.2 0 0.0 0 0.0 0 0.0 7 27
35 A 685 GLN Q T T 4 < TS+ 0 0 -98.4 -29.5 -179.3 78.3 97.8 40.7 32 -0.9 0 0.0 0 0.0 0 0.0 6 26
36 A 686 ALA A S t < TS- 0 0 -83.0 147.9 178.6 -135.0 75.1 120.8 32 -1.4 0 0.0 0 0.0 0 0.0 9 26
37 A 687 THR T S S S+ 0 0 -63.5 -44.1 -179.0 18.2 95.3 24.4 0 0.0 0 0.0 0 0.0 0 0.0 6 23
38 A 688 ARG R S h > > TS- 0 0 -132.3 143.4 179.7 -126.2 75.2 167.5 0 0.0 41 -1.7 0 0.0 42 -0.6 7 37
39 A 689 PRO P H H > > TS+ 0 0 -52.4 -43.9 179.6 67.1 108.9 28.8 0 0.0 43 -1.6 0 0.0 42 -1.4 11 45
40 A 690 ILE I H H > 3 TS+ 0 0 -49.6 -31.0 178.7 65.5 91.3 36.4 0 0.0 44 -3.1 0 0.0 0 0.0 9 52
41 A 691 GLU E H H > < TS+ 0 0 -60.7 -43.1 -179.5 47.0 100.5 26.7 38 -1.7 45 -1.2 0 0.0 0 0.0 9 40
42 A 692 VAL V H H < <>TS+ 0 0 -68.0 -38.4 -179.8 49.7 112.8 23.6 39 -1.4 47 -1.1 38 -0.6 0 0.0 13 54
43 A 693 ILE I H H < >TS+ 0 0 -65.4 -45.7 180.0 36.0 120.3 15.1 39 -1.6 48 -1.1 0 0.0 0 0.0 10 59
44 A 694 GLU E H H < 5TS+ 0 0 -85.3 -2.7 179.0 43.9 125.2 55.0 40 -3.1 0 0.0 0 0.0 0 0.0 9 49
45 A 695 GLY G T h X 5TS+ 0 0 -101.4 -107.6 179.9 2.2 125.8 55.1 41 -1.2 49 -2.3 0 0.0 0 0.0 8 44
46 A 696 PRO P H H > 5TS+ 0 0 -44.3 -66.9 -178.6 53.0 129.7 24.0 0 0.0 50 -2.7 0 0.0 0 0.0 12 47
47 A 697 LEU L H H > TS+ 0 0 -54.4 -37.7 178.4 48.5 113.6 30.1 53 -2.7 62 -2.0 0 0.0 63 -1.4 10 29
58 A 708 PHE F H H < >5TS+ 0 0 -66.9 -50.3 179.5 51.3 110.1 16.0 54 -2.2 61 -2.1 0 0.0 0 0.0 12 27
59 A 709 GLY G H H < 35TS+ 0 0 -54.8 -38.4 179.8 49.6 109.5 32.0 55 -3.1 0 0.0 0 0.0 0 0.0 8 23
60 A 710 GLU E T h < 35TS- 0 0 -85.2 10.2 179.4 -115.0 115.6 73.5 56 -2.7 0 0.0 0 0.0 0 0.0 7 16
61 A 711 GLY G T T <5TS+ 0 0 67.6 10.7 178.9 115.6 90.5 52.0 58 -2.1 0 0.0 0 0.0 0 0.0 7 16
62 A 712 LYS K S t > T - 0 0 -115.8 159.2 -177.8 -104.6 27.5 141.3 0 0.0 67 -2.4 0 0.0 68 -2.0 8 24
65 A 715 LEU L H H > 3 TS+ 0 0 -48.1 -47.8 -179.7 56.6 116.6 31.4 0 0.0 69 -3.2 0 0.0 0 0.0 7 27
66 A 716 PRO P H H 4 3 TS+ 0 0 -62.1 -11.9 -179.5 45.8 113.6 46.3 0 0.0 0 0.0 0 0.0 0 0.0 6 23
67 A 717 GLN Q H H > < TS+ 0 0 -96.5 -40.4 178.0 49.5 109.1 34.8 64 -2.4 71 -2.4 0 0.0 0 0.0 10 33
68 A 718 VAL V H H X TS+ 0 0 -66.2 -30.8 -179.3 58.5 108.8 26.5 64 -2.0 72 -2.3 0 0.0 0 0.0 13 41
69 A 719 VAL V H H X TS+ 0 0 -66.1 -36.1 177.5 45.6 106.3 30.2 65 -3.2 73 -1.7 0 0.0 0 0.0 8 35
70 A 720 LYS K H H > TS+ 0 0 -72.5 -39.5 174.0 55.2 109.2 27.9 0 0.0 74 -2.0 0 0.0 0 0.0 9 35
71 A 721 SER S H H X TS+ 0 0 -56.3 -40.3 175.0 53.7 106.2 25.2 67 -2.4 75 -2.6 0 0.0 0 0.0 16 47
72 A 722 ALA A H H X TS+ 0 0 -57.5 -50.0 179.0 55.9 102.9 18.1 68 -2.3 76 -3.2 0 0.0 0 0.0 10 49
73 A 723 ARG R H H X TS+ 0 0 -49.7 -47.9 178.5 45.2 110.8 23.3 69 -1.7 77 -2.6 0 0.0 0 0.0 10 39
74 A 724 VAL V H H X TS+ 0 0 -62.0 -53.9 178.6 48.6 112.6 18.2 70 -2.0 78 -2.5 0 0.0 0 0.0 14 46
75 A 725 MET M H H X TS+ 0 0 -52.8 -43.8 178.8 50.2 113.0 28.4 71 -2.6 79 -2.1 0 0.0 0 0.0 11 60
76 A 726 LYS K H H X TS+ 0 0 -61.3 -43.6 -179.0 50.7 109.4 18.1 72 -3.2 80 -2.2 0 0.0 0 0.0 9 49
77 A 727 GLN Q H H X TS+ 0 0 -62.4 -36.9 179.8 50.8 109.9 31.2 73 -2.6 81 -2.1 0 0.0 0 0.0 11 43
78 A 728 ALA A H H X TS+ 0 0 -67.9 -45.2 179.5 47.5 110.3 24.2 74 -2.5 82 -1.8 0 0.0 0 0.0 11 57
79 A 729 VAL V H H X TS+ 0 0 -60.1 -50.7 179.4 53.1 110.4 18.4 75 -2.1 83 -2.5 0 0.0 0 0.0 10 56
80 A 730 ALA A H H < TS+ 0 0 -48.5 -56.9 179.6 52.4 106.3 20.8 76 -2.2 0 0.0 0 0.0 0 0.0 8 40
81 A 731 TYR Y H H < TS+ 0 0 -48.4 -44.2 -178.7 45.9 113.8 25.6 77 -2.1 0 0.0 0 0.0 0 0.0 10 41
82 A 732 LEU L H H X > TS+ 0 0 -70.9 -36.0 -178.5 83.6 90.3 32.9 78 -1.8 86 -1.2 0 0.0 85 -0.9 10 50
83 A 733 GLU E H H X > TS+ 0 0 -38.4 -55.6 -180.0 46.0 90.9 36.1 79 -2.5 87 -2.7 0 0.0 86 -1.1 9 41
84 A 734 PRO P H H > 3 TS+ 0 0 -62.6 -34.0 178.3 57.2 108.2 27.3 0 0.0 88 -3.2 0 0.0 0 0.0 8 31
85 A 735 PHE F H H 4 < TS+ 0 0 -63.5 -24.2 177.8 45.6 111.3 37.5 82 -0.9 0 0.0 0 0.0 0 0.0 9 36
86 A 736 ILE I H H X X TS+ 0 0 -79.7 -50.2 -179.9 47.9 112.6 24.4 82 -1.2 89 -2.1 83 -1.1 90 -0.6 13 40
87 A 737 GLU E H H < > TS+ 0 0 -58.5 -39.7 -179.8 53.9 108.9 26.0 83 -2.7 90 -1.0 0 0.0 0 0.0 9 30
88 A 738 ALA A T h < 3 TS+ 0 0 -76.7 8.3 -178.1 72.0 99.3 66.8 84 -3.2 0 0.0 0 0.0 0 0.0 7 24
89 A 739 SER S T T 4 < TS- 0 0 -95.2 -26.3 -179.0 -2.1 108.1 44.0 86 -2.1 0 0.0 0 0.0 0 0.0 7 28
90 A 740 LYS K t < < T + 0 0 -170.1 142.2 179.1 154.5 43.9 159.5 87 -1.0 0 0.0 86 -0.6 0 0.0 8 28
91 A 741 GLU E - 0 0 -146.1 -3.8 -176.6 -175.4 19.6 66.4 0 0.0 0 0.0 0 0.0 0 0.0 10 23
92 A 742 GLN Q - 0 0 35.6 -96.6 -179.1 -86.6 53.2 98.7 0 0.0 0 0.0 0 0.0 0 0.0 6 19
93 A 743 GLY G S S S+ 0 0 -169.2 -37.3 -179.5 13.8 86.7 68.0 0 0.0 0 0.0 0 0.0 0 0.0 5 16
94 A 744 LYS K S S S- 0 0 -151.1 173.1 -178.8 -65.9 81.0 160.6 0 0.0 0 0.0 0 0.0 0 0.0 6 16
95 A 745 THR T - 0 0 -66.5 133.0 179.3 -174.7 26.3 109.7 0 0.0 0 0.0 0 0.0 0 0.0 8 28
96 A 746 ASN N - 0 0 -96.1 -31.8 -179.1 -36.4 68.4 41.0 124 -2.0 0 0.0 0 0.0 0 0.0 6 34
97 A 747 GLY G e - 0 0 -165.6 -159.7 179.1 -107.8 57.5 145.7 0 0.0 126 -1.0 0 0.0 0 0.0 10 45
98 A 748 LYS K E E Aa - 126 0 -155.7 136.7 -177.2 -171.3 24.5 163.6 0 0.0 149 -2.6 0 0.0 150 -0.7 13 49
99 A 749 MET M E E Aab - 127 150 -135.5 140.7 174.7 -152.0 18.0 167.3 126 -2.6 128 -2.4 0 0.0 101 -0.6 13 58
100 A 750 VAL V E E Aab - 128 151 -109.9 112.3 179.8 -179.0 27.7 169.0 150 -1.2 152 -2.7 0 0.0 0 0.0 15 56
101 A 751 ILE I E E Aab + 129 152 -111.4 151.4 -178.2 160.2 6.7 146.8 128 -1.1 130 -2.4 99 -0.6 0 0.0 15 71
102 A 752 ALA A E E A b - 0 153 -169.5 149.1 177.9 -108.4 41.8 162.2 152 -1.8 154 -2.2 0 0.0 104 -0.6 15 59
103 A 753 THR T E E A b - 0 154 -90.0 122.8 -178.4 -110.0 50.0 142.9 131 -3.0 134 -1.9 0 0.0 0 0.0 17 58
104 A 754 VAL V e > T - 0 0 -44.2 161.7 -179.5 -66.3 46.5 75.2 154 -2.1 107 -1.4 102 -0.6 133 -1.0 16 54
105 A 755 LYS K T T 3 TS+ 0 0 -58.7 137.4 177.4 10.7 116.4 108.3 0 0.0 0 0.0 0 0.0 0 0.0 12 41
106 A 756 GLY G T T 3 TS+ 0 0 73.6 6.4 178.7 108.3 104.6 54.5 0 0.0 0 0.0 0 0.0 0 0.0 8 31
107 A 757 ASP D t < T + 0 0 -114.6 139.6 -178.2 175.9 39.9 159.9 104 -1.4 133 -1.4 0 0.0 0 0.0 12 36
108 A 758 VAL V + 0 0 -124.1 -2.2 178.6 115.7 41.4 62.5 0 0.0 0 0.0 0 0.0 0 0.0 8 37
109 A 759 HIS H + 0 0 -66.4 138.0 179.8 150.3 26.7 117.0 0 0.0 0 0.0 0 0.0 0 0.0 9 47
110 A 760 ASP D h > T + 0 0 -151.4 -1.8 -180.0 106.9 31.6 65.5 0 0.0 114 -2.3 0 0.0 0 0.0 10 50
111 A 761 ILE I H H > TS+ 0 0 -55.5 -24.9 179.8 37.5 97.0 38.2 0 0.0 115 -1.0 0 0.0 0 0.0 7 60
112 A 762 GLY G H H > TS+ 0 0 -95.4 -37.4 178.5 61.4 106.2 36.1 0 0.0 116 -2.5 0 0.0 0 0.0 10 62
113 A 763 LYS K H H > TS+ 0 0 -54.1 -38.1 -179.5 46.1 112.2 22.2 0 0.0 117 -1.2 0 0.0 0 0.0 13 61
114 A 764 ASN N H H X TS+ 0 0 -73.7 -45.9 179.3 53.1 106.6 23.3 110 -2.3 118 -3.0 0 0.0 0 0.0 8 59
115 A 765 ILE I H H X TS+ 0 0 -57.0 -42.1 178.4 48.4 111.3 23.3 111 -1.0 119 -1.7 0 0.0 0 0.0 10 64
116 A 766 VAL V H H X TS+ 0 0 -65.9 -32.1 177.7 51.2 112.4 30.2 112 -2.5 120 -2.4 0 0.0 0 0.0 12 65
117 A 767 GLY G H H X TS+ 0 0 -68.6 -47.1 179.5 45.9 110.5 20.1 113 -1.2 121 -2.2 0 0.0 0 0.0 12 56
118 A 768 VAL V H H X TS+ 0 0 -66.1 -28.8 178.6 49.6 114.6 42.7 114 -3.0 122 -1.3 0 0.0 0 0.0 10 53
119 A 769 VAL V H H X TS+ 0 0 -73.9 -52.9 -178.9 47.3 111.2 17.3 115 -1.7 123 -0.5 0 0.0 0 0.0 13 57
120 A 770 LEU L H H < > TS+ 0 0 -56.8 -37.0 -179.8 56.6 109.8 31.3 116 -2.4 123 -0.8 0 0.0 0 0.0 14 58
121 A 771 GLN Q H H X > TS+ 0 0 -63.0 -52.0 -179.7 49.2 102.7 24.4 117 -2.2 124 -2.0 0 0.0 125 -0.6 10 48
122 A 772 CYS C H H < 3 TS+ 0 0 -68.0 -4.4 178.7 62.9 106.0 58.2 118 -1.3 0 0.0 0 0.0 0 0.0 12 42
123 A 773 ASN N T h < < TS- 0 0 -101.7 12.4 178.6 -97.5 126.7 75.5 120 -0.8 0 0.0 119 -0.5 0 0.0 10 43
124 A 774 ASN N T T 4 < TS+ 0 0 68.9 71.9 177.8 124.4 80.3 5.2 121 -2.0 96 -2.0 0 0.0 0 0.0 13 34
125 A 775 TYR Y t < T - 0 0 -147.6 153.5 -179.7 -122.8 57.6 157.7 121 -0.6 127 -0.5 0 0.0 0 0.0 12 47
126 A 776 GLU E E E Aa - 98 0 -105.3 130.2 -179.1 -162.6 26.4 157.2 97 -1.0 99 -2.6 0 0.0 128 -0.5 10 41
127 A 777 ILE I E E Aa - 99 0 -120.7 121.3 175.2 -170.5 14.6 165.1 125 -0.5 129 -0.8 0 0.0 0 0.0 11 46
128 A 778 VAL V E E Aa - 100 0 -106.6 99.0 -179.8 -161.8 17.3 162.4 99 -2.4 101 -1.1 126 -0.5 130 -0.8 8 44
129 A 779 ASP D E E Aa - 101 0 -84.4 110.2 -179.1 -164.5 10.2 144.9 127 -0.8 0 0.0 0 0.0 0 0.0 8 51
130 A 780 LEU L e - 0 0 -75.2 -3.0 178.9 -132.7 37.4 62.4 101 -2.4 0 0.0 128 -0.8 0 0.0 10 46
131 A 781 GLY G - 0 0 89.5 -156.6 179.7 -28.9 40.4 118.6 0 0.0 103 -3.0 0 0.0 0 0.0 9 41
132 A 782 VAL V S S S+ 0 0 -98.7 163.4 177.3 19.4 115.5 126.5 0 0.0 0 0.0 0 0.0 0 0.0 12 39
133 A 783 MET M S S S+ 0 0 55.6 26.6 -179.6 168.8 77.7 45.8 107 -1.4 0 0.0 104 -1.0 0 0.0 11 40
134 A 784 VAL V - 0 0 -78.4 126.3 -179.6 -125.8 30.8 122.7 103 -1.9 0 0.0 0 0.0 0 0.0 13 42
135 A 785 PRO P h > T - 0 0 -66.8 151.0 -179.9 -113.2 20.9 109.2 0 0.0 139 -1.7 0 0.0 0 0.0 8 41
136 A 786 ALA A H H > > TS+ 0 0 -47.3 -55.8 -179.0 55.7 115.4 21.7 0 0.0 140 -2.3 0 0.0 139 -0.9 12 45
137 A 787 GLU E H H > 3 TS+ 0 0 -46.7 -48.0 179.1 47.3 107.9 32.8 0 0.0 141 -2.9 0 0.0 0 0.0 6 37
138 A 788 LYS K H H > 3 TS+ 0 0 -67.1 -30.8 179.1 54.2 109.8 37.0 0 0.0 142 -1.8 0 0.0 0 0.0 8 38
139 A 789 ILE I H H X < TS+ 0 0 -67.2 -53.0 179.6 40.0 114.1 15.6 135 -1.7 143 -2.7 136 -0.9 0 0.0 12 54
140 A 790 LEU L H H X TS+ 0 0 -61.4 -50.5 179.2 55.3 112.1 15.9 136 -2.3 144 -2.8 0 0.0 0 0.0 9 51
141 A 791 ARG R H H X TS+ 0 0 -49.9 -43.5 179.7 40.7 114.9 28.8 137 -2.9 145 -2.6 0 0.0 0 0.0 8 33
142 A 792 THR T H H X TS+ 0 0 -73.5 -38.1 179.3 58.2 109.8 30.1 138 -1.8 146 -2.7 0 0.0 0 0.0 10 37
143 A 793 ALA A H H < >TS+ 0 0 -56.7 -41.5 179.9 39.2 114.5 24.7 139 -2.7 148 -2.3 0 0.0 0 0.0 12 44
144 A 794 LYS K H H < >5TS+ 0 0 -71.6 -60.7 -179.5 48.1 115.9 12.1 140 -2.8 147 -1.1 0 0.0 0 0.0 8 34
145 A 795 GLU E H H < 35TS+ 0 0 -48.6 -47.7 -177.6 38.1 120.3 23.9 141 -2.6 0 0.0 0 0.0 0 0.0 6 24
146 A 796 VAL V T h < 35TS- 0 0 -84.7 -7.2 179.4 -132.6 104.0 53.1 142 -2.7 0 0.0 0 0.0 0 0.0 6 27
147 A 797 ASN N T T <5T - 0 0 53.7 60.6 -178.9 -164.4 31.7 13.2 144 -1.1 0 0.0 0 0.0 0 0.0 8 33
148 A 798 ALA A t > TS- 0 0 -117.5 157.5 -179.1 -109.1 86.7 150.5 0 0.0 161 -1.0 0 0.0 160 -0.9 8 36
158 A 808 THR T H H > 3 TS+ 0 0 -47.4 -49.9 179.5 54.4 114.9 33.3 0 0.0 162 -0.6 0 0.0 0 0.0 7 32
159 A 809 PRO P H H > > TS+ 0 0 -56.9 -35.6 179.2 65.8 97.4 32.1 0 0.0 163 -1.0 0 0.0 162 -0.9 7 33
160 A 810 SER S H H > X TS+ 0 0 -52.7 -45.9 179.0 66.8 88.9 21.5 157 -0.9 164 -2.3 0 0.0 163 -1.5 13 42
161 A 811 LEU L H H X 3 TS+ 0 0 -41.7 -44.2 -179.0 49.7 101.1 32.1 157 -1.0 165 -2.0 0 0.0 0 0.0 11 50
162 A 812 ASP D H H X < TS+ 0 0 -68.9 -32.8 178.7 52.9 106.7 36.6 159 -0.9 166 -1.7 158 -0.6 0 0.0 8 42
163 A 813 GLU E H H X < TS+ 0 0 -70.5 -32.5 178.0 54.4 106.7 33.1 160 -1.5 167 -3.3 159 -1.0 0 0.0 11 49
164 A 814 MET M H H X TS+ 0 0 -63.2 -51.2 178.1 47.5 108.6 14.0 160 -2.3 168 -1.9 0 0.0 0 0.0 13 64
165 A 815 VAL V H H X TS+ 0 0 -55.8 -38.0 178.8 53.8 112.5 29.8 161 -2.0 169 -2.3 0 0.0 0 0.0 12 55
166 A 816 ASN N H H X TS+ 0 0 -65.0 -54.5 179.8 45.3 107.2 12.9 162 -1.7 170 -3.0 0 0.0 0 0.0 9 49
167 A 817 VAL V H H X TS+ 0 0 -64.5 -18.1 176.5 58.5 109.2 39.1 163 -3.3 171 -1.8 0 0.0 0 0.0 9 60
168 A 818 ALA A H H X > TS+ 0 0 -68.2 -55.2 178.9 43.1 110.4 6.6 164 -1.9 172 -2.4 0 0.0 171 -0.7 13 56
169 A 819 LYS K H H X 3 TS+ 0 0 -51.5 -51.6 -179.2 50.7 114.1 22.5 165 -2.3 173 -2.1 0 0.0 0 0.0 10 39
170 A 820 GLU E H H X 3 TS+ 0 0 -59.2 -33.2 178.9 52.7 107.7 36.6 166 -3.0 174 -1.8 0 0.0 0 0.0 9 41
171 A 821 MET M H H < <>TS+ 0 0 -67.0 -45.1 -179.4 51.2 108.1 17.9 167 -1.8 176 -1.4 168 -0.7 0 0.0 11 46
172 A 822 GLU E H H < >5TS+ 0 0 -58.2 -39.6 177.9 57.1 105.4 28.8 168 -2.4 175 -1.6 0 0.0 0 0.0 12 34
173 A 823 ARG R H H < 35TS+ 0 0 -57.6 -49.1 175.0 43.9 109.0 22.4 169 -2.1 0 0.0 0 0.0 0 0.0 7 24
174 A 824 GLN Q T h < 35TS- 0 0 -77.3 9.7 177.4 -122.4 117.9 73.2 170 -1.8 0 0.0 0 0.0 0 0.0 6 29
175 A 825 GLY G T T <5T + 0 0 46.4 60.9 177.7 177.3 46.1 21.5 172 -1.6 0 0.0 0 0.0 0 0.0 6 25
176 A 826 PHE F t TS- 0 0 133.3 153.4 -179.7 -79.6 70.5 118.9 0 0.0 187 -2.0 0 0.0 0 0.0 13 60
185 A 835 ALA A T T 3 TS+ 0 0 -51.5 -38.8 -179.4 43.9 129.2 35.6 0 0.0 0 0.0 0 0.0 0 0.0 6 49
186 A 836 THR T T T 3 TS+ 0 0 -94.1 13.2 179.7 103.4 93.1 70.4 155 -0.8 0 0.0 0 0.0 0 0.0 10 43
187 A 837 THR T t < T - 0 0 -95.7 129.8 179.2 -177.6 48.6 143.1 184 -2.0 0 0.0 0 0.0 0 0.0 13 45
188 A 838 SER S h > T - 0 0 -126.0 154.5 177.0 -124.1 37.6 156.2 0 0.0 192 -2.3 0 0.0 0 0.0 9 39
189 A 839 LYS K H H > TS+ 0 0 -61.2 -36.3 179.6 58.1 111.6 33.3 0 0.0 193 -2.4 0 0.0 0 0.0 8 46
190 A 840 ALA A H H > TS+ 0 0 -59.9 -55.5 178.4 40.8 109.4 17.8 0 0.0 194 -3.1 0 0.0 0 0.0 9 39
191 A 841 HIS H H H > >TS+ 0 0 -61.1 -36.0 -179.8 57.0 114.2 24.9 0 0.0 195 -2.5 0 0.0 196 -1.2 9 48
192 A 842 THR T H H < >TS+ 0 0 -62.0 -36.5 -179.0 33.7 116.1 26.8 188 -2.3 197 -2.9 0 0.0 0 0.0 15 58
193 A 843 ALA A H H < 5TS+ 0 0 -87.1 -36.3 -177.6 42.9 124.7 30.4 189 -2.4 0 0.0 0 0.0 0 0.0 13 47
194 A 844 VAL V H H < 5TS+ 0 0 -76.9 -47.3 -177.2 10.4 133.3 21.1 190 -3.1 0 0.0 0 0.0 0 0.0 12 37
195 A 845 LYS K T h < 5TS+ 0 0 -113.6 -13.2 179.9 40.1 127.9 56.4 191 -2.5 0 0.0 0 0.0 0 0.0 8 44
196 A 846 ILE I T g > > TS+ 0 0 -54.6 -55.6 -178.7 50.3 115.7 27.2 0 0.0 213 -1.8 0 0.0 214 -0.9 13 55
211 A 861 SER S H H > > TS+ 0 0 -53.5 -45.1 -179.3 50.9 111.2 24.8 0 0.0 214 -0.8 0 0.0 215 -0.6 9 43
212 A 862 ARG R H H > 3 TS+ 0 0 -71.8 -8.2 179.4 74.7 93.8 57.4 0 0.0 216 -0.6 0 0.0 0 0.0 9 37
213 A 863 THR T H H > X TS+ 0 0 -70.8 -39.6 178.8 60.3 87.9 23.0 210 -1.8 217 -2.8 0 0.0 216 -1.4 12 53
214 A 864 VAL V H H X < TS+ 0 0 -49.2 -54.4 -180.0 53.0 101.8 20.0 210 -0.9 218 -2.3 211 -0.8 0 0.0 11 50
215 A 865 GLY G H H X 3 TS+ 0 0 -56.4 -24.0 177.8 40.3 115.3 49.8 211 -0.6 219 -0.6 0 0.0 0 0.0 8 36
216 A 866 VAL V H H X < TS+ 0 0 -89.1 -53.3 -179.3 54.4 110.0 28.0 213 -1.4 220 -3.1 212 -0.6 0 0.0 9 50
217 A 867 VAL V H H X TS+ 0 0 -49.2 -37.5 179.2 52.0 110.2 31.1 213 -2.8 221 -0.9 0 0.0 0 0.0 8 58
218 A 868 ALA A H H X TS+ 0 0 -66.4 -46.7 178.2 43.2 112.0 26.7 214 -2.3 222 -0.7 0 0.0 0 0.0 8 43
219 A 869 ALA A H H < > TS+ 0 0 -62.5 -55.3 -179.9 54.3 111.4 9.5 215 -0.6 222 -2.3 0 0.0 0 0.0 10 40
220 A 870 LEU L H H < 3 TS+ 0 0 -49.8 -26.1 -178.3 40.1 117.0 44.7 216 -3.1 0 0.0 0 0.0 0 0.0 11 45
221 A 871 LEU L H H < 3 TS+ 0 0 -105.7 -3.7 -179.7 101.7 92.5 63.1 217 -0.9 0 0.0 0 0.0 0 0.0 10 41
222 A 872 SER S h X < T - 0 0 -88.6 126.5 179.2 -149.2 61.1 136.3 219 -2.3 226 -3.0 218 -0.7 0 0.0 8 27
223 A 873 ASP D T T 4 TS+ 0 0 -57.7 -34.4 -179.7 40.0 102.1 31.2 0 0.0 0 0.0 0 0.0 0 0.0 6 20
224 A 874 THR T T T 4 TS+ 0 0 -76.0 -67.2 -177.1 34.5 123.2 9.2 0 0.0 0 0.0 0 0.0 0 0.0 5 17
225 A 875 GLN Q T h > > TS+ 0 0 -59.3 -37.1 -177.2 86.4 99.6 38.8 0 0.0 229 -2.5 0 0.0 228 -0.7 10 21
226 A 876 ARG R H H X 3 TS+ 0 0 -31.7 -79.6 -177.0 38.2 88.2 34.2 222 -3.0 230 -2.9 0 0.0 0 0.0 11 31
227 A 877 ASP D H H > 3 TS+ 0 0 -54.5 -28.4 178.9 47.7 120.5 41.2 0 0.0 231 -0.6 0 0.0 0 0.0 8 27
228 A 878 ASP D H H > X TS+ 0 0 -76.5 -62.2 179.4 44.4 113.4 11.8 225 -0.7 232 -2.9 0 0.0 231 -1.3 7 26
229 A 879 PHE F H H X 3 TS+ 0 0 -47.2 -52.3 -179.2 50.5 114.8 22.1 225 -2.5 233 -2.9 0 0.0 0 0.0 10 33
230 A 880 VAL V H H X 3 TS+ 0 0 -60.3 -24.7 -179.5 45.4 114.0 41.4 226 -2.9 234 -1.6 0 0.0 0 0.0 10 40
231 A 881 ALA A H H X < TS+ 0 0 -85.4 -39.3 179.7 50.1 111.0 30.5 228 -1.3 235 -2.4 227 -0.6 0 0.0 8 31
232 A 882 ARG R H H X TS+ 0 0 -61.3 -49.3 179.0 49.0 113.8 17.2 228 -2.9 236 -1.8 0 0.0 0 0.0 8 27
233 A 883 THR T H H X > TS+ 0 0 -54.0 -60.2 -179.9 47.6 110.9 15.5 229 -2.9 237 -2.6 0 0.0 236 -0.9 9 42
234 A 884 ARG R H H X 3 TS+ 0 0 -50.4 -43.4 -179.0 48.7 113.6 28.8 230 -1.6 238 -1.1 0 0.0 0 0.0 9 41
235 A 885 LYS K H H X 3 TS+ 0 0 -68.5 -30.4 179.7 53.4 108.6 40.1 231 -2.4 239 -1.7 0 0.0 0 0.0 8 29
236 A 886 GLU E H H X < TS+ 0 0 -69.9 -43.5 179.1 47.6 109.5 24.2 232 -1.8 240 -2.0 233 -0.9 0 0.0 8 32
237 A 887 TYR Y H H X TS+ 0 0 -69.5 -21.2 179.1 60.6 106.1 44.3 233 -2.6 241 -1.1 0 0.0 0 0.0 13 39
238 A 888 GLU E H H X > TS+ 0 0 -69.6 -48.1 180.0 46.4 105.9 16.1 234 -1.1 242 -1.7 0 0.0 241 -0.5 9 33
239 A 889 THR T H H X 3 TS+ 0 0 -60.7 -46.4 -179.5 58.1 106.0 25.8 235 -1.7 243 -2.1 0 0.0 0 0.0 8 24
240 A 890 VAL V H H X 3 TS+ 0 0 -57.1 -31.5 178.9 49.7 105.9 34.2 236 -2.0 244 -2.0 0 0.0 0 0.0 11 27
241 A 891 ARG R H H < <>TS+ 0 0 -70.9 -43.5 180.0 54.2 108.3 20.2 237 -1.1 246 -2.5 238 -0.5 0 0.0 12 25
242 A 892 ILE I H H < >5TS+ 0 0 -57.1 -40.4 -180.0 45.4 110.3 33.8 238 -1.7 245 -0.8 0 0.0 0 0.0 8 20
243 A 893 GLN Q H H < 35TS+ 0 0 -72.1 -38.6 179.2 65.8 102.7 26.5 239 -2.1 0 0.0 0 0.0 0 0.0 7 18
244 A 894 HIS H T h < 35TS- 0 0 -70.4 24.4 177.8 -100.2 125.9 80.5 240 -2.0 0 0.0 0 0.0 0 0.0 7 18
245 A 895 GLY G T T <5T 0 0 66.5 21.3 -179.9 999.9 999.9 44.9 242 -0.8 0 0.0 0 0.0 0 0.0 5 14
246 A 896 ARG R t 5555< >>555<< >5555< 5-turns
3-turns >33< >33< >>3<< >33< >33< >>33<< 3-turns
bridge-2 bb bridge-2
bridge-1 aaa bridge-1
sheets AAA sheets
4-turns >>>>XXXXX<<<< >>>>XXX>>><<>>XXXXXXXX<<<< >>4>XX>XXXXXXXXX<4X<<4< 4-turns
summary tTTthHHHHHHHHHHHht ShHHHHHHHHHhTtShHHHHHHhHHHHHHHHHHHHHHhTtShHHHHHHHHHHHHHHHHHHHHHHHhTt SS eEEE summary
sequence QAEWRSWEVNKRLEYSLVKGITEFIEQDTEEARQQATRPIEVIEGPLMDGMNVVGDLFGEGKMFLPQVVKSARVMKQAVAYLEPFIEASKEQGKTNGKMV sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEE TT HHHHHHHHHHHHTT EEEE SS HHHHHHHHHHTT SEEEEE SHHHHHHHHHHHHHHHHTT S EEEESTT HHHHHHTTGGG Kabs/Sand
chirality +---++++++++++++++++++-+-------++--++++++++++---+----+++-++++++++++++++++-+-+----++-++--+++++++++++- chirality
bends SS SSSSSSSSSSSSSS SS SSSSSSSSSSS S SSSSSSSSSSSSSSSSSS S SSS SSSSSSSSSSS bends
turns TTTT TTTTTTTTTTTTTTTT TTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >>555<< 5-turns
3-turns >33< >>3<< >33< >33< >3>X3<< >33<>33< >33< >>3<< 3-turns
bridge-2 bbb cccc ddd bridge-2
bridge-1 a aaaa bbbbb cccc bridge-1
sheets AAA AAAA AAAAA AAAA sheets
4-turns >>>>XXXXXX>>>XXXX<<<< >>>>XXXXXXXXXX<<<< >>>><<<< 4-turns
summary EEEeTTt hHHHHHHHHHHHHhTtEEEEe SS hHHHHHHHHHHhTtSEEEEEe hHHHHHHHHHHHHHHHHhTt SeEEEEtTTthHHHHHHhgGGGg summary
sequence IATVKGDVHDIGKNIVGVVLQCNNYEIVDLGVMVPAEKILRTAKEVNADLIGLSGLITPSLDEMVNVAKEMERQGFTIPLLIGGATTSKAHTAVKIEQNY sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand SS EEE SSSHHHHHHHHHHH TTTHHHHHHHHHHHHHHHHHHTT Kabs/Sand
chirality +--+-----++++++++++++-+++++++++++++++++++++- chirality
bends SS SSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >>3X<3< >33< >33X33< >33< >33<>33< 3-turns
bridge-2 bridge-2
bridge-1 ddd bridge-1
sheets AAA sheets
4-turns >>>>XXXXX<<X>>XXXXXXXXXXXX<<<< 4-turns
summary SSeEEEeSShHHHHHHHHHHHhTThHHHHHHHHHHHHHHHHHHhTt summary
sequence SGPTVYVQNASRTVGVVAALLSDTQRDDFVARTRKEYETVRIQHGR sequence
210 220 230 240