Secondary structure calculation program - copyright by David Keith Smith, 1989
1kyqA.pdb
1KYQ OXIDOREDUCTASE, LYASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 256
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 2 VAL V 0 0 999.9 148.3 175.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 10
2 A 3 LYS K - 0 0 -96.5 159.9 177.7 -117.8 999.9 133.4 0 0.0 0 0.0 0 0.0 0 0.0 4 15
3 A 4 SER S - 0 0 -87.1 168.7 172.0 -117.4 23.1 112.3 0 0.0 5 -0.6 0 0.0 0 0.0 5 21
4 A 5 LEU L - 0 0 -104.9 112.9 -178.5 -153.6 28.1 165.1 0 0.0 0 0.0 0 0.0 0 0.0 4 19
5 A 6 GLN Q + 0 0 -91.0 125.4 -175.6 169.5 22.6 138.2 3 -0.6 0 0.0 0 0.0 0 0.0 5 23
6 A 7 LEU L - 0 0 -135.4 158.4 177.7 -132.4 33.9 167.1 0 0.0 8 -0.6 0 0.0 0 0.0 4 24
7 A 8 ALA A - 0 0 -115.2 109.7 -176.5 -151.9 27.6 158.2 0 0.0 0 0.0 0 0.0 0 0.0 4 32
8 A 9 HIS H - 0 0 -85.3 135.6 176.8 -140.9 8.5 132.4 6 -0.6 10 -0.9 0 0.0 0 0.0 4 31
9 A 10 GLN Q + 0 0 -93.9 104.6 -177.2 164.2 31.1 143.7 0 0.0 0 0.0 0 0.0 0 0.0 5 26
10 A 11 LEU L t > T + 0 0 -106.4 9.8 -176.9 145.1 13.3 73.6 8 -0.9 13 -2.9 0 0.0 0 0.0 8 35
11 A 12 LYS K T T 3 TS- 0 0 -52.5 119.8 -179.8 -7.9 87.9 109.8 0 0.0 0 0.0 0 0.0 0 0.0 9 29
12 A 13 ASP D T T 3 TS+ 0 0 69.0 7.8 177.8 137.2 100.0 57.1 34 -3.7 0 0.0 0 0.0 0 0.0 8 33
13 A 14 A LYS K e < T - 0 0 -85.9 144.6 177.6 -112.7 59.1 138.3 10 -2.9 36 -2.5 0 0.0 0 0.0 10 39
14 A 15 ARG R E E Aab - 36 94 -76.1 136.7 178.5 -174.7 36.2 117.4 93 -0.6 95 -3.1 0 0.0 96 -0.7 12 50
15 A 16 ILE I E E Aab - 37 96 -132.6 136.1 178.3 -149.9 12.9 173.1 36 -1.9 38 -2.7 0 0.0 17 -0.5 12 54
16 A 17 LEU L E E Aa - 38 0 -111.2 124.4 177.8 -177.0 13.0 163.2 96 -2.1 0 0.0 0 0.0 0 0.0 11 63
17 A 18 LEU L E E Aa - 39 0 -121.0 127.4 -178.6 -163.5 6.9 165.2 38 -2.7 40 -2.7 15 -0.5 19 -0.6 13 67
18 A 19 ILE I E E Aa + 40 0 -115.9 116.9 -177.7 36.2 62.4 156.9 0 0.0 99 -3.3 0 0.0 0 0.0 13 63
19 A 20 GLY G E E A* - 0 0 111.2 108.3 -177.6 -154.9 57.4 66.3 40 -2.8 0 0.0 17 -0.6 0 0.0 12 54
20 A 21 GLY G E E Aa + 44 0 -108.8 48.4 -177.9 101.4 58.2 103.9 43 -0.5 45 -3.1 0 0.0 0 0.0 17 53
21 A 22 GLY G S h > TS- 0 0 -104.7 -147.6 177.7 -52.5 93.7 90.9 0 0.0 25 -2.7 0 0.0 0 0.0 11 40
22 A 23 GLU E H H > TS+ 0 0 -58.2 -51.7 179.3 41.8 138.2 24.2 0 0.0 26 -1.6 0 0.0 0 0.0 7 31
23 A 24 VAL V H H > TS+ 0 0 -65.0 -42.5 176.7 53.9 114.1 12.9 0 0.0 27 -1.7 0 0.0 0 0.0 10 37
24 A 25 GLY G H H > TS+ 0 0 -56.1 -41.7 177.9 55.7 104.0 27.9 0 0.0 28 -2.7 0 0.0 0 0.0 13 51
25 A 26 LEU L H H X TS+ 0 0 -60.7 -38.7 176.9 51.6 105.7 21.4 21 -2.7 29 -2.0 0 0.0 0 0.0 12 41
26 A 27 THR T H H X TS+ 0 0 -68.3 -29.9 176.6 50.7 108.9 36.1 22 -1.6 30 -1.0 0 0.0 0 0.0 8 39
27 A 28 ARG R H H X > TS+ 0 0 -71.9 -38.8 177.3 54.8 106.9 20.6 23 -1.7 31 -2.4 0 0.0 30 -0.6 8 51
28 A 29 LEU L H H < 3 TS+ 0 0 -60.2 -40.6 176.8 59.2 101.2 25.4 24 -2.7 0 0.0 0 0.0 0 0.0 7 53
29 A 30 TYR Y H H < 3 TS+ 0 0 -56.2 -42.3 178.2 37.8 113.0 30.8 25 -2.0 0 0.0 0 0.0 0 0.0 7 40
30 A 31 LYS K H H < < T 0 0 -79.4 -31.8 -175.1 999.9 999.9 36.7 26 -1.0 0 0.0 27 -0.6 0 0.0 7 48
31!A 32 LEU L h < T 0 0 -82.4 999.9 999.9 999.9 999.9 29.8 27 -2.4 33 -2.1 0 0.0 35 -0.7 8 54
32!A 34 PRO P 0 0 999.9 -0.2 -175.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 8 41
33 A 35 THR T - 0 0 -89.4 -3.8 -179.7 -119.1 999.9 62.4 31 -2.1 0 0.0 0 0.0 0 0.0 10 41
34 A 36 GLY G + 0 0 79.5 9.3 -178.9 153.1 61.4 54.6 0 0.0 12 -3.7 0 0.0 0 0.0 14 35
35 A 37 CYS C - 0 0 -72.3 154.3 179.9 -126.8 49.3 110.0 31 -0.7 37 -0.8 0 0.0 0 0.0 13 42
36 A 38 LYS K E E Aa - 14 0 -105.0 96.3 -170.3 -164.9 38.5 152.1 13 -2.5 15 -1.9 0 0.0 0 0.0 12 49
37 A 39 LEU L E E Aa - 15 0 -99.8 139.0 171.6 -160.6 22.8 134.1 35 -0.8 73 -2.3 0 0.0 74 -2.1 11 62
38 A 40 THR T E E Aac - 16 74 -107.5 124.7 -179.7 -160.6 15.4 163.5 15 -2.7 17 -2.7 0 0.0 0 0.0 13 67
39 A 41 LEU L E E Aac - 17 75 -110.3 125.8 -178.3 -162.9 1.6 164.5 74 -2.7 76 -2.6 0 0.0 41 -0.5 13 68
40 A 42 VAL V E E Aac + 18 76 -114.5 119.3 -177.7 128.2 31.8 164.1 17 -2.7 19 -2.8 0 0.0 0 0.0 15 57
41 A 43 SER S E E A* - 0 0 -169.7 133.6 177.5 -142.1 53.0 141.9 76 -2.8 0 0.0 39 -0.5 0 0.0 14 49
42 A 44 PRO P E E A* S+ 0 0 -64.7 -38.4 179.1 20.1 96.4 28.6 0 0.0 0 0.0 0 0.0 0 0.0 8 35
43 A 45 ASP D E E A* S- 0 0 -131.6 156.6 -178.9 -139.3 75.7 161.5 0 0.0 20 -0.5 0 0.0 0 0.0 8 34
44 A 46 LEU L E E Aa - 20 0 -121.1 140.9 176.1 -111.3 23.9 155.2 0 0.0 0 0.0 0 0.0 0 0.0 9 45
45 A 47 HIS H e > T - 0 0 -59.7 141.1 -175.7 -113.0 46.0 116.1 20 -3.1 48 -1.8 0 0.0 0 0.0 9 35
46 A 48 LYS K T T 3 TS+ 0 0 -58.2 -17.3 178.8 59.3 110.1 51.3 0 0.0 0 0.0 0 0.0 0 0.0 6 25
47 A 49 SER S T h > 3 TS+ 0 0 -84.5 -17.2 -175.4 76.0 87.6 47.5 0 0.0 51 -2.2 0 0.0 0 0.0 7 29
48 A 50 ILE I H H > <>TS+ 0 0 -60.9 -53.7 -179.0 44.8 94.2 19.2 45 -1.8 52 -3.6 0 0.0 53 -0.9 11 46
49 A 51 ILE I H H > 5TS+ 0 0 -56.5 -54.6 178.8 46.1 116.5 13.1 0 0.0 53 -2.0 0 0.0 0 0.0 12 41
50 A 52 PRO P H H 4 5TS+ 0 0 -54.9 -48.5 -177.4 32.4 124.0 30.0 0 0.0 0 0.0 0 0.0 0 0.0 8 24
51 A 53 LYS K H H < 5TS+ 0 0 -78.0 -42.7 -170.5 7.2 139.7 32.0 47 -2.2 0 0.0 0 0.0 0 0.0 8 34
52 A 54 PHE F H H < 5TS+ 0 0 -125.3 -5.3 -180.0 37.7 127.1 59.8 48 -3.6 72 -2.4 0 0.0 0 0.0 9 49
53 A 55 GLY G h < > TS+ 0 0 -54.9 -40.4 176.8 64.7 74.6 23.8 0 0.0 57 -2.5 0 0.0 0 0.0 8 28
55 A 57 PHE F G G 3 TS+ 0 0 -56.5 -23.1 174.7 72.2 83.9 43.7 0 0.0 0 0.0 0 0.0 0 0.0 8 31
56 A 58 ILE I G G < T 0 0 -62.3 -24.6 173.6 999.9 999.9 38.4 53 -2.1 0 0.0 0 0.0 0 0.0 8 37
57!A 59 GLN Q g < T 0 0 97.7 999.9 999.9 999.9 999.9 139.4 54 -2.5 0 0.0 0 0.0 0 0.0 5 27
58!A 71 LYS K e 0 0 999.9 -40.9 178.4 999.9 999.9 999.9 0 0.0 77 -3.1 0 0.0 0 0.0 5 24
59 A 72 ARG R E E AD - 76 0 -108.5 136.7 177.6 -170.0 999.9 147.1 0 0.0 0 0.0 0 0.0 0 0.0 7 30
60 A 73 PHE F E E AD - 75 0 -124.6 111.2 175.9 -165.3 4.4 159.5 75 -2.8 75 -2.0 0 0.0 0 0.0 9 33
61 A 74 ILE I E E AD - 74 0 -96.3 129.4 179.0 -118.1 28.9 143.1 0 0.0 0 0.0 0 0.0 0 0.0 7 32
62 A 75 ASN N e > T - 0 0 -66.4 118.4 -177.0 -155.5 21.6 123.4 73 -3.2 65 -0.8 0 0.0 0 0.0 11 36
63 A 76 PRO P T T 3 TS+ 0 0 -72.6 -18.9 -178.3 34.8 87.3 46.7 0 0.0 0 0.0 0 0.0 0 0.0 5 24
64 A 77 ASN N T T 3 TS+ 0 0 -134.5 58.2 -178.7 156.5 83.3 114.7 0 0.0 0 0.0 0 0.0 0 0.0 4 25
65 A 78 TRP W t < T + 0 0 -89.9 140.2 169.0 149.5 3.5 131.0 62 -0.8 0 0.0 0 0.0 0 0.0 8 31
66 A 79 ASP D t > T - 0 0 -155.2 162.2 -177.5 -101.7 56.5 159.9 0 0.0 69 -1.2 0 0.0 0 0.0 6 30
67 A 80 PRO P T T 3 TS+ 0 0 -61.0 -21.8 -179.8 58.0 117.0 50.5 0 0.0 0 0.0 0 0.0 0 0.0 12 31
68 A 81 THR T T T 3 TS+ 0 0 -84.9 -16.1 -178.2 78.4 88.0 48.9 0 0.0 0 0.0 0 0.0 0 0.0 6 26
69 A 82 LYS K S t < TS- 0 0 -63.0 -26.2 -170.8 -140.2 86.0 54.2 66 -1.2 0 0.0 0 0.0 0 0.0 7 34
70 A 83 ASN N + 0 0 60.5 40.9 179.4 131.2 59.1 29.1 0 0.0 0 0.0 0 0.0 0 0.0 9 42
71 A 84 GLU E - 0 0 -129.9 152.6 176.0 -100.7 66.3 155.7 0 0.0 0 0.0 0 0.0 0 0.0 9 50
72 A 85 ILE I - 0 0 -58.6 141.3 -179.2 -154.7 25.3 110.8 52 -2.4 0 0.0 0 0.0 0 0.0 12 60
73 A 86 TYR Y S e S+ 0 0 -87.3 -41.0 -175.7 12.9 75.2 31.9 37 -2.3 62 -3.2 0 0.0 0 0.0 10 52
74 A 87 GLU E E E AcD - 38 61 -143.8 132.9 177.7 -165.2 60.2 176.6 37 -2.1 39 -2.7 0 0.0 0 0.0 11 55
75 A 88 TYR Y E E AcD - 39 60 -122.6 123.5 177.2 -166.4 3.4 173.0 60 -2.0 60 -2.8 0 0.0 77 -0.6 13 51
76 A 89 ILE I E E AcD - 40 59 -110.3 111.6 -178.2 -151.3 11.9 163.9 39 -2.6 41 -2.8 0 0.0 78 -1.4 12 43
77 A 90 ARG R e + 0 0 -87.9 89.8 -173.9 83.1 61.9 135.3 58 -3.1 0 0.0 75 -0.6 0 0.0 10 38
78 A 91 SER S S S S- 0 0 -174.1 159.9 169.7 -84.4 86.9 163.5 76 -1.4 0 0.0 0 0.0 0 0.0 10 30
79 A 92 ASP D S S S- 0 0 -71.2 154.8 -177.1 -78.0 73.1 121.4 0 0.0 0 0.0 0 0.0 0 0.0 7 37
80 A 93 PHE F - 0 0 -58.8 139.1 176.6 -170.1 52.0 107.1 0 0.0 0 0.0 0 0.0 0 0.0 8 45
81 A 94 LYS K g > T - 0 0 -126.9 143.8 -179.0 -119.7 32.3 167.8 0 0.0 84 -2.3 0 0.0 0 0.0 6 34
82 A 95 ASP D G G > TS+ 0 0 -52.1 -38.0 178.8 67.5 109.7 34.4 0 0.0 85 -2.3 0 0.0 0 0.0 5 33
83 A 96 GLU E G G > TS+ 0 0 -59.2 -18.6 175.6 73.4 82.4 44.1 0 0.0 86 -1.3 0 0.0 0 0.0 5 27
84 A 97 TYR Y G G < TS+ 0 0 -72.9 -5.1 175.4 69.1 84.7 53.7 81 -2.3 0 0.0 0 0.0 0 0.0 7 44
85 A 98 LEU L G G < TS+ 0 0 -77.1 -25.2 -178.3 99.8 80.2 44.6 82 -2.3 0 0.0 0 0.0 0 0.0 5 48
86 A 99 ASP D g < T - 0 0 -63.5 139.0 175.2 -156.3 60.0 113.1 83 -1.3 0 0.0 0 0.0 0 0.0 6 33
87 A 100 LEU L - 0 0 -118.7 140.4 -178.4 -126.0 20.7 158.5 0 0.0 0 0.0 0 0.0 0 0.0 8 31
88 A 101 GLU E S S S+ 0 0 -44.6 -70.7 177.8 40.0 103.6 19.3 0 0.0 0 0.0 0 0.0 0 0.0 5 15
89 A 102 ASN N S t > TS- 0 0 -78.0 125.7 -179.5 -149.6 82.7 137.6 0 0.0 92 -1.2 0 0.0 0 0.0 5 12
90 A 103 GLU E T T 3 TS+ 0 0 -104.9 58.0 163.4 70.7 90.9 101.7 0 0.0 0 0.0 0 0.0 0 0.0 7 16
91 A 104 ASN N T T 3 TS+ 0 0 -120.3 -11.8 179.5 92.9 89.9 78.6 0 0.0 0 0.0 0 0.0 0 0.0 4 14
92 A 105 ASP D t < T - 0 0 -84.1 161.3 -178.7 -179.7 58.5 116.4 89 -1.2 0 0.0 0 0.0 0 0.0 7 26
93 A 106 ALA A e - 0 0 -156.6 160.2 173.1 -104.0 34.2 171.3 0 0.0 95 -0.6 0 0.0 14 -0.6 7 36
94 A 107 TRP W E E Ab - 14 0 -87.3 122.7 -179.1 -161.1 24.3 142.5 0 0.0 0 0.0 0 0.0 0 0.0 10 51
95 A 108 A TYR Y E E A* S+ 0 0 -75.0 -37.2 178.1 10.4 78.5 29.9 14 -3.1 122 -0.6 93 -0.6 0 0.0 9 44
96 A 109 ILE I E E Abe 15 122 -138.8 140.5 176.7 999.9 999.9 171.1 14 -0.7 16 -2.1 0 0.0 0 0.0 10 58
97!A 110 ILE I E E A e 0 123 -122.0 999.9 999.9 999.9 999.9 177.3 122 -1.7 124 -1.7 0 0.0 0 0.0 12 64
98!A 112 THR T 0 0 999.9 143.0 179.7 999.9 999.9 999.9 0 0.0 126 -2.7 0 0.0 0 0.0 11 64
99 A 113 CYS C + 0 0 -141.3 50.6 -175.7 128.6 999.9 112.1 18 -3.3 0 0.0 0 0.0 0 0.0 13 52
100 A 114 ILE I - 0 0 -112.8 157.9 -175.8 -123.8 62.3 140.5 0 0.0 0 0.0 0 0.0 0 0.0 10 44
101 A 115 PRO P S S S+ 0 0 -76.6 -21.8 179.8 90.8 84.4 43.2 0 0.0 103 -0.6 0 0.0 0 0.0 4 31
102 A 116 ASP D h > T - 0 0 -78.8 116.3 -174.4 -166.7 56.4 131.2 0 0.0 106 -1.8 0 0.0 0 0.0 6 27
103 A 117 A HIS H H H > TS+ 0 0 -72.6 -49.2 -179.5 48.1 84.2 22.3 101 -0.6 107 -2.9 0 0.0 0 0.0 7 26
104 A 118 PRO P H H > TS+ 0 0 -60.1 -39.6 179.3 48.3 114.0 31.9 0 0.0 108 -2.6 0 0.0 0 0.0 6 22
105 A 119 GLU E H H > TS+ 0 0 -68.2 -39.3 176.5 50.4 111.7 28.9 0 0.0 109 -2.5 0 0.0 0 0.0 7 28
106 A 120 SER S H H X TS+ 0 0 -60.9 -48.0 176.3 44.8 113.6 22.6 102 -1.8 110 -2.1 0 0.0 0 0.0 12 40
107 A 121 ALA A H H X TS+ 0 0 -63.8 -39.8 178.8 53.9 110.9 25.7 103 -2.9 111 -2.3 0 0.0 0 0.0 10 34
108 A 122 A ARG R H H X TS+ 0 0 -59.4 -46.5 -178.6 49.3 109.2 20.8 104 -2.6 112 -2.7 0 0.0 0 0.0 8 34
109 A 123 ILE I H H X TS+ 0 0 -58.9 -46.2 176.0 52.8 108.4 22.7 105 -2.5 113 -2.7 0 0.0 0 0.0 8 48
110 A 124 TYR Y H H X TS+ 0 0 -53.0 -52.0 -177.4 42.6 113.7 19.6 106 -2.1 114 -2.5 0 0.0 0 0.0 12 47
111 A 125 HIS H H H X TS+ 0 0 -68.0 -35.6 175.8 52.2 113.0 27.7 107 -2.3 115 -2.5 0 0.0 0 0.0 8 31
112 A 126 LEU L H H X TS+ 0 0 -62.6 -48.3 179.3 45.8 112.6 17.3 108 -2.7 116 -3.3 0 0.0 0 0.0 8 35
113 A 127 CYS C H H X TS+ 0 0 -62.1 -43.6 176.9 47.8 114.0 23.6 109 -2.7 117 -2.9 0 0.0 0 0.0 11 41
114 A 128 LYS K H H X TS+ 0 0 -64.9 -34.7 179.7 47.1 115.3 30.4 110 -2.5 118 -1.1 0 0.0 0 0.0 11 32
115 A 129 GLU E H H < TS+ 0 0 -71.8 -48.5 -177.6 37.4 119.7 17.7 111 -2.5 0 0.0 0 0.0 0 0.0 8 22
116 A 130 A ARG R H H < TS+ 0 0 -69.7 -46.0 -174.6 26.4 131.3 29.6 112 -3.3 0 0.0 0 0.0 0 0.0 6 29
117 A 131 PHE F H H < TS- 0 0 -102.9 2.6 179.0 -116.1 111.1 64.2 113 -2.9 0 0.0 0 0.0 0 0.0 8 33
118 A 132 GLY G h < > T - 0 0 86.2 165.8 179.1 -70.2 36.6 88.2 114 -1.1 121 -1.7 0 0.0 0 0.0 8 21
119 A 133 LYS K T T 3 TS+ 0 0 -71.6 -10.8 173.5 71.6 126.3 44.5 0 0.0 0 0.0 0 0.0 0 0.0 7 25
120 A 134 GLN Q T T 3 TS+ 0 0 -72.8 -19.7 178.8 104.6 74.8 48.1 0 0.0 0 0.0 0 0.0 0 0.0 6 23
121 A 135 GLN Q S t < TS- 0 0 -66.0 122.0 177.5 -126.1 77.3 123.1 118 -1.7 0 0.0 0 0.0 0 0.0 12 33
122 A 136 LEU L E E Ae + 96 0 -70.9 130.1 178.8 173.3 37.0 123.3 95 -0.6 97 -1.7 0 0.0 0 0.0 9 44
123 A 137 VAL V E E Ae - 97 0 -138.4 143.6 175.3 -175.7 16.8 170.5 0 0.0 133 -2.7 0 0.0 0 0.0 12 46
124 A 138 ASN N B e A - 132 0 -139.8 119.4 174.9 -166.8 6.6 165.1 97 -1.7 126 -0.6 0 0.0 0 0.0 13 48
125 A 139 VAL V t > T - 0 0 -102.1 115.4 -175.8 -108.5 40.7 165.8 131 -0.6 128 -1.9 0 0.0 0 0.0 13 46
126 A 140 ALA A T T 3 TS- 0 0 -53.6 130.8 173.6 -2.7 92.9 100.8 98 -2.7 0 0.0 124 -0.6 0 0.0 9 44
127 A 141 ASP D T T 3 TS+ 0 0 66.3 21.8 175.9 107.4 103.1 48.1 0 0.0 0 0.0 0 0.0 0 0.0 4 33
128 A 142 LYS K g X T - 0 0 -128.1 89.5 -176.5 -170.9 48.0 140.7 125 -1.9 131 -2.6 0 0.0 0 0.0 7 28
129 A 143 PRO P G G > TS+ 0 0 -50.1 -44.8 -179.5 55.4 82.6 33.7 0 0.0 132 -1.8 0 0.0 0 0.0 7 28
130 A 144 ASP D G G 3 TS+ 0 0 -68.3 -11.6 178.2 49.9 108.2 55.6 0 0.0 0 0.0 0 0.0 0 0.0 4 25
131 A 145 LEU L G G < TS+ 0 0 -111.8 23.6 176.9 93.5 95.0 90.1 128 -2.6 125 -0.6 0 0.0 0 0.0 10 36
132 A 146 CYS C B B A < T - 124 0 -121.2 128.2 172.5 -171.3 48.9 163.5 129 -1.8 0 0.0 0 0.0 0 0.0 11 34
133 A 147 ASP D S S S+ 0 0 -77.9 -23.0 -179.6 6.2 83.3 44.3 123 -2.7 0 0.0 0 0.0 0 0.0 7 36
134 A 148 PHE F - 0 0 -152.7 168.2 177.5 -129.6 68.9 167.3 0 0.0 0 0.0 0 0.0 0 0.0 6 39
135 A 149 TYR Y - 0 0 -121.9 149.4 169.3 -134.0 14.1 155.7 0 0.0 0 0.0 0 0.0 0 0.0 6 43
136 A 150 PHE F + 0 0 -80.8 172.1 178.5 178.0 36.2 113.5 0 0.0 0 0.0 0 0.0 0 0.0 5 51
137 A 151 GLY G - 0 0 -152.9 -155.5 177.7 -44.0 38.7 139.7 0 0.0 0 0.0 0 0.0 0 0.0 10 44
138 A 152 ALA A E E BF - 150 0 -88.4 128.4 -179.0 -172.3 61.4 136.9 150 -2.4 150 -3.5 0 0.0 0 0.0 11 36
139 A 153 ASN N E E BF + 149 0 -118.1 155.6 169.8 176.2 14.3 153.3 0 0.0 0 0.0 0 0.0 0 0.0 9 41
140 A 154 LEU L E E BF - 148 0 -153.5 150.8 175.1 -138.2 20.0 172.0 148 -1.8 148 -2.6 0 0.0 0 0.0 9 32
141 A 155 GLU E E E BF - 147 0 -104.7 145.6 176.8 -157.7 2.5 144.6 0 0.0 143 -0.6 0 0.0 0 0.0 9 33
142 A 156 ILE I E E >BF > TS- 146 0 -125.2 87.1 -172.5 -38.4 78.1 155.6 146 -2.3 146 -1.2 0 0.0 145 -0.7 10 30
143 A 157 GLY G T T 4 3 TS- 0 0 87.6 -148.5 176.9 -62.7 97.7 123.3 141 -0.6 0 0.0 0 0.0 0 0.0 5 29
144 A 158 ASP D T T 4 3 TS+ 0 0 -113.6 11.6 -178.3 56.3 133.9 79.7 0 0.0 0 0.0 0 0.0 0 0.0 5 21
145 A 159 ARG R T T 4 < TS+ 0 0 -117.8 -20.9 -177.5 61.9 92.5 50.6 142 -0.7 0 0.0 0 0.0 0 0.0 6 24
146 A 160 LEU L E E > T - 0 0 -55.9 150.7 176.1 -123.1 33.3 106.0 0 0.0 159 -1.5 0 0.0 160 -0.6 7 20
157 A 171 PRO P H H > 3 TS+ 0 0 -66.3 -22.5 175.0 82.2 105.3 40.1 0 0.0 161 -2.3 0 0.0 0 0.0 10 23
158 A 172 ARG R H H > 3 TS+ 0 0 -47.8 -45.9 176.3 53.3 87.9 27.9 0 0.0 162 -2.4 0 0.0 0 0.0 6 21
159 A 173 PHE F H H > < TS+ 0 0 -59.2 -39.5 176.6 54.7 104.5 26.1 156 -1.5 163 -2.8 0 0.0 0 0.0 9 23
160 A 174 GLY G H H X TS+ 0 0 -57.6 -51.2 177.2 46.5 110.2 20.2 156 -0.6 164 -2.5 0 0.0 0 0.0 13 28
161 A 175 ALA A H H X TS+ 0 0 -57.4 -43.8 -179.0 50.7 112.0 24.6 157 -2.3 165 -2.7 0 0.0 0 0.0 10 26
162 A 176 LEU L H H X TS+ 0 0 -64.3 -42.5 175.5 45.7 112.3 23.1 158 -2.4 166 -2.0 0 0.0 0 0.0 8 24
163 A 177 VAL V H H X TS+ 0 0 -63.1 -38.4 179.4 52.9 113.1 23.4 159 -2.8 167 -2.1 0 0.0 0 0.0 9 27
164 A 178 ARG R H H X TS+ 0 0 -63.9 -44.9 179.5 48.8 107.6 23.3 160 -2.5 168 -2.7 0 0.0 0 0.0 12 30
165 A 179 ASP D H H X TS+ 0 0 -67.2 -31.6 174.7 53.9 109.8 25.7 161 -2.7 169 -2.3 0 0.0 0 0.0 8 27
166 A 180 GLU E H H X TS+ 0 0 -66.5 -40.2 179.0 44.3 111.0 29.1 162 -2.0 170 -1.7 0 0.0 0 0.0 8 23
167 A 181 ILE I H H X TS+ 0 0 -72.7 -36.5 176.4 54.9 111.2 22.4 163 -2.1 171 -2.3 0 0.0 0 0.0 8 29
168 A 182 ARG R H H X TS+ 0 0 -58.9 -44.4 178.6 48.7 108.5 23.7 164 -2.7 172 -2.4 0 0.0 0 0.0 10 29
169 A 183 A ASN N H H X TS+ 0 0 -65.6 -39.6 175.2 55.9 106.7 27.4 165 -2.3 173 -2.7 0 0.0 0 0.0 8 20
170 A 184 LEU L H H < TS+ 0 0 -54.2 -55.2 -179.6 40.5 113.4 10.4 166 -1.7 0 0.0 0 0.0 0 0.0 7 22
171 A 185 PHE F H H < TS+ 0 0 -69.5 -26.0 173.5 57.4 111.7 31.1 167 -2.3 0 0.0 0 0.0 0 0.0 8 29
172 A 186 THR T H H < T 0 0 -67.5 -42.2 178.8 999.9 999.9 19.9 168 -2.4 0 0.0 0 0.0 0 0.0 6 20
173!A 187 GLN Q h < T 0 0 -60.3 999.9 999.9 999.9 999.9 19.5 169 -2.7 0 0.0 0 0.0 0 0.0 5 16
174!A 189 GLY G 0 0 999.9 -179.2 -178.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 22
175 A 190 ASP D - 0 0 -43.2 130.4 178.8 -170.5 999.9 93.1 0 0.0 0 0.0 0 0.0 0 0.0 3 26
176 A 191 LEU L - 0 0 -97.5 -15.3 -177.1 -149.7 19.4 60.8 0 0.0 0 0.0 0 0.0 0 0.0 8 33
177 A 192 ALA A h > > T + 0 0 41.8 55.4 -177.0 173.2 25.8 30.2 0 0.0 181 -1.9 0 0.0 180 -0.6 7 29
178 A 193 LEU L H H > 3 T + 0 0 -65.4 -27.1 175.0 64.8 69.7 36.3 0 0.0 182 -3.0 0 0.0 0 0.0 8 30
179 A 194 GLU E H H > 3 TS+ 0 0 -59.8 -43.0 178.0 42.3 107.7 21.6 0 0.0 183 -1.8 0 0.0 0 0.0 7 24
180 A 195 ASP D H H > < TS+ 0 0 -70.9 -37.6 176.8 53.1 112.3 26.1 177 -0.6 184 -2.9 0 0.0 0 0.0 9 29
181 A 196 ALA A H H X TS+ 0 0 -61.6 -40.9 178.9 53.7 106.8 24.0 177 -1.9 185 -3.3 0 0.0 0 0.0 12 39
182 A 197 VAL V H H X TS+ 0 0 -57.0 -50.6 179.8 45.4 111.4 18.8 178 -3.0 186 -1.9 0 0.0 0 0.0 9 32
183 A 198 VAL V H H X TS+ 0 0 -60.2 -48.8 -178.6 45.5 115.6 18.9 179 -1.8 187 -2.3 0 0.0 0 0.0 8 25
184 A 199 LYS K H H X TS+ 0 0 -65.4 -40.5 179.7 52.6 110.3 26.3 180 -2.9 188 -3.2 0 0.0 0 0.0 12 38
185 A 200 LEU L H H X TS+ 0 0 -63.9 -32.9 176.4 50.1 110.9 26.3 181 -3.3 189 -2.5 0 0.0 0 0.0 9 45
186 A 201 GLY G H H X TS+ 0 0 -67.0 -46.9 179.6 43.6 113.1 17.7 182 -1.9 190 -2.7 0 0.0 0 0.0 8 31
187 A 202 GLU E H H X TS+ 0 0 -70.4 -30.8 173.1 53.6 113.0 27.9 183 -2.3 191 -2.6 0 0.0 0 0.0 9 32
188 A 203 LEU L H H X TS+ 0 0 -60.9 -53.4 179.4 45.6 111.2 13.4 184 -3.2 192 -2.3 0 0.0 0 0.0 12 44
189 A 204 ARG R H H X TS+ 0 0 -57.2 -45.0 178.0 49.0 113.3 23.4 185 -2.5 193 -1.9 0 0.0 0 0.0 9 40
190 A 205 ARG R H H X TS+ 0 0 -61.2 -45.3 180.0 51.3 111.1 21.8 186 -2.7 194 -1.6 0 0.0 0 0.0 8 32
191 A 206 GLY G H H X TS+ 0 0 -57.7 -47.4 179.9 49.7 108.6 28.7 187 -2.6 195 -1.7 0 0.0 0 0.0 9 35
192 A 207 ILE I H H X TS+ 0 0 -61.4 -39.9 179.0 57.7 105.7 28.2 188 -2.3 196 -2.0 0 0.0 0 0.0 12 44
193 A 208 ARG R H H < TS+ 0 0 -59.5 -39.8 175.8 47.6 108.2 27.7 189 -1.9 0 0.0 0 0.0 0 0.0 9 34
194 A 209 LEU L H H < TS+ 0 0 -67.3 -40.7 178.4 48.2 111.5 31.5 190 -1.6 0 0.0 0 0.0 0 0.0 7 31
195 A 210 LEU L H H < TS+ 0 0 -75.0 -19.2 178.0 19.9 132.3 41.5 191 -1.7 0 0.0 0 0.0 0 0.0 7 35
196 A 211 ALA A S h < TS+ 0 0 -149.1 69.3 -174.1 150.1 72.4 118.0 192 -2.0 0 0.0 0 0.0 0 0.0 8 34
197 A 212 PRO P + 0 0 -74.9 -26.8 -177.6 114.7 32.3 43.9 0 0.0 0 0.0 0 0.0 0 0.0 9 24
198 A 213 ASP D S g > TS- 0 0 -51.9 144.9 179.4 -121.2 73.5 96.8 0 0.0 201 -2.0 0 0.0 0 0.0 6 18
199 A 214 ASP D G G > TS+ 0 0 -55.7 -30.4 -179.3 65.2 107.9 43.8 0 0.0 202 -0.8 0 0.0 0 0.0 5 13
200 A 215 LYS K G G 3 TS+ 0 0 -73.4 -12.3 -179.4 53.9 96.6 56.6 0 0.0 0 0.0 0 0.0 0 0.0 5 18
201 A 216 ASP D G G > < TS+ 0 0 -107.4 12.2 178.2 108.4 73.4 72.7 198 -2.0 205 -2.6 0 0.0 0 0.0 9 28
202 A 217 VAL V T g 4 < TS+ 0 0 -45.1 -64.0 -178.5 45.6 81.1 20.6 199 -0.8 0 0.0 0 0.0 0 0.0 8 23
203 A 218 LYS K T T 4 TS+ 0 0 -51.7 -48.8 178.8 52.4 111.3 25.0 0 0.0 0 0.0 0 0.0 0 0.0 6 23
204 A 219 TYR Y T T 4 T 0 0 -53.8 -51.6 178.2 999.9 999.9 17.7 0 0.0 207 -3.0 0 0.0 0 0.0 7 35
205!A 220 ARG R t < T 0 0 -49.0 999.9 999.9 999.9 999.9 24.3 201 -2.6 208 -2.3 0 0.0 0 0.0 10 41
206!A 222 ASP D h > T 0 0 999.9 -29.7 178.2 999.9 999.9 999.9 0 0.0 210 -2.6 0 0.0 0 0.0 8 27
207 A 223 TRP W H H > T + 0 0 -66.3 -54.2 177.1 43.5 999.9 4.2 204 -3.0 211 -2.9 0 0.0 0 0.0 9 45
208 A 224 ALA A H H > TS+ 0 0 -52.7 -46.1 -178.8 50.1 115.6 29.3 205 -2.3 212 -3.0 0 0.0 0 0.0 8 52
209 A 225 ARG R H H > TS+ 0 0 -62.3 -48.6 179.1 43.4 112.8 22.6 0 0.0 213 -2.7 0 0.0 0 0.0 7 31
210 A 226 ARG R H H X TS+ 0 0 -65.3 -40.5 179.4 49.6 116.5 20.7 206 -2.6 214 -2.2 0 0.0 0 0.0 9 35
211 A 227 CYS C H H X TS+ 0 0 -62.0 -48.3 -179.4 42.8 114.3 21.3 207 -2.9 215 -1.7 0 0.0 0 0.0 9 55
212 A 228 THR T H H X TS+ 0 0 -69.4 -34.5 172.7 57.3 110.4 27.9 208 -3.0 216 -2.7 0 0.0 0 0.0 9 49
213 A 229 ASP D H H < TS+ 0 0 -56.2 -47.5 -179.0 49.1 107.6 19.0 209 -2.7 0 0.0 0 0.0 0 0.0 8 31
214 A 230 LEU L H H < TS+ 0 0 -65.4 -35.9 176.8 44.6 112.5 33.1 210 -2.2 0 0.0 0 0.0 0 0.0 7 35
215 A 231 PHE F H H X TS- 0 0 -74.4 -35.5 179.2 -163.4 101.3 30.0 211 -1.7 219 -1.0 0 0.0 0 0.0 13 42
216 A 232 GLY G H H X > T - 0 0 79.0 176.8 -179.9 -63.1 39.8 85.2 212 -2.7 220 -1.7 0 0.0 219 -0.6 8 36
217 A 233 ILE I H H 4 3 TS+ 0 0 -67.4 -32.4 -178.9 59.8 132.5 32.3 0 0.0 0 0.0 0 0.0 0 0.0 7 39
218 A 234 GLN Q H H 4 3 TS+ 0 0 -66.1 -36.6 -175.9 26.8 115.7 33.7 0 0.0 0 0.0 0 0.0 0 0.0 7 39
219 A 235 HIS H H H < X TS+ 0 0 -108.6 -9.8 180.0 97.2 88.4 57.0 215 -1.0 222 -2.4 216 -0.6 0 0.0 11 40
220 A 236 CYS C G h < > TS+ 0 0 -50.4 -35.4 178.9 59.4 81.2 32.4 216 -1.7 223 -1.4 0 0.0 0 0.0 13 45
221 A 237 HIS H G T 3 TS+ 0 0 -67.2 -10.9 -169.7 50.1 106.4 61.0 0 0.0 0 0.0 0 0.0 0 0.0 13 38
222 A 238 ASN N G T < TS+ 0 0 -117.1 7.1 179.5 129.3 76.3 74.2 219 -2.4 256 -2.3 0 0.0 0 0.0 9 39
223 A 239 ILE I B B B < T - 255 0 -67.0 147.1 174.0 -129.4 59.2 107.3 220 -1.4 225 -1.0 0 0.0 0 0.0 13 49
224 A 240 ASP D h > T - 0 0 -92.7 92.5 -178.2 -167.0 23.3 146.2 254 -3.2 228 -2.4 0 0.0 0 0.0 9 39
225 A 241 VAL V H H > TS+ 0 0 -47.9 -55.3 -178.9 50.8 82.2 27.0 223 -1.0 229 -2.6 0 0.0 0 0.0 10 42
226 A 242 LYS K H H > TS+ 0 0 -50.2 -50.3 179.0 47.3 112.7 20.5 0 0.0 230 -2.6 0 0.0 0 0.0 7 34
227 A 243 ARG R H H > TS+ 0 0 -61.9 -40.9 177.2 48.7 112.0 25.9 0 0.0 231 -2.2 0 0.0 0 0.0 8 35
228 A 244 LEU L H H X TS+ 0 0 -68.8 -30.6 176.7 55.9 108.5 35.7 224 -2.4 232 -2.2 0 0.0 0 0.0 11 55
229 A 245 LEU L H H X TS+ 0 0 -63.6 -45.8 176.3 48.7 106.6 15.1 225 -2.6 233 -2.5 0 0.0 0 0.0 11 43
230 A 246 ASP D H H X TS+ 0 0 -58.4 -40.9 177.2 49.8 112.5 21.0 226 -2.6 234 -1.8 0 0.0 0 0.0 8 36
231 A 247 LEU L H H < TS+ 0 0 -64.1 -36.8 178.8 51.5 108.9 31.6 227 -2.2 0 0.0 0 0.0 0 0.0 7 45
232 A 248 PHE F H H < TS+ 0 0 -65.0 -45.5 -179.3 56.9 105.2 26.2 228 -2.2 0 0.0 0 0.0 0 0.0 9 48
233 A 249 LYS K H H < T 0 0 -49.7 -57.4 179.0 999.9 999.9 14.0 229 -2.5 236 -2.0 0 0.0 0 0.0 9 36
234!A 250 VAL V h < T 0 0 -57.2 999.9 999.9 999.9 999.9 23.0 230 -1.8 238 -1.9 0 0.0 0 0.0 8 27
235!A 252 PHE F t >T 0 0 999.9 -80.2 -177.1 999.9 999.9 999.9 0 0.0 240 -2.3 0 0.0 0 0.0 9 36
236 A 253 GLN Q T T >5T + 0 0 -52.2 -81.0 -179.7 35.0 999.9 9.2 233 -2.0 239 -1.0 0 0.0 0 0.0 7 26
237 A 254 GLU E T T 35TS+ 0 0 -38.3 -68.6 -172.4 45.5 119.6 28.3 0 0.0 239 -1.3 0 0.0 0 0.0 7 17
238 A 255 GLN Q T T 35TS- 0 0 -85.0 50.1 178.7 -107.1 111.0 100.8 234 -1.9 0 0.0 0 0.0 0 0.0 7 19
239 A 256 ASN N T T <5TS- 0 0 29.3 58.2 -177.0 -43.0 85.2 36.4 237 -1.3 0 0.0 236 -1.0 0 0.0 6 21
240 A 257 CYS C S t > T - 0 0 -57.8 149.5 -171.7 -103.1 46.7 104.6 0 0.0 250 -2.5 0 0.0 249 -1.3 6 23
247 A 264 ARG R H H > 3 TS+ 0 0 -48.3 -50.0 -178.5 50.0 117.1 35.9 0 0.0 251 -3.0 0 0.0 0 0.0 9 27
248 A 265 GLU E H H > 3 TS+ 0 0 -67.7 -21.1 173.2 46.2 114.5 35.6 0 0.0 252 -1.4 0 0.0 0 0.0 6 22
249 A 266 ARG R H H > <>TS+ 0 0 -78.4 -46.0 176.9 53.1 110.3 19.0 246 -1.3 253 -3.5 0 0.0 254 -0.5 9 23
250 A 267 LEU L H H X 5TS+ 0 0 -52.3 -47.9 178.1 46.1 112.2 19.9 246 -2.5 254 -2.6 0 0.0 0 0.0 12 38
251 A 268 LEU L H H < 5TS+ 0 0 -65.6 -37.3 -177.9 43.1 117.3 32.9 247 -3.0 0 0.0 0 0.0 0 0.0 10 31
252 A 269 SER S H H < 5TS+ 0 0 -75.6 -48.3 -177.4 30.0 125.1 14.7 248 -1.4 0 0.0 0 0.0 0 0.0 7 27
253 A 270 GLU E H H < 5TS+ 0 0 -79.1 -36.6 -172.4 43.0 123.0 35.8 249 -3.5 0 0.0 0 0.0 0 0.0 7 28
254 A 271 TYR Y S h < 5555< 5-turns
3-turns >33< >33< >33< >>3<< >33<>33< >>><<< >33< 3-turns
bridge-2 bb ccc DDD ee bridge-2
bridge-1 aaaaa*a aaaaa***a DDD ccc b*b bridge-1
sheets AAAAAAA AAAAAAAAA AAA AAA AAAA sheets
4-turns >>>>XXX<<<< >>>4<<< 4-turns
summary tTTeEEEEEEEhHHHHHHHHHh EEEEEEEEEeThHHHHHhGGGgeEEEeTTttTTt eEEEeSS gGGGGg StTTteEEEE summary
sequence VKSLQLAHQLKDKRILLIGGGEVGLTRLYKLPTGCKLTLVSPDLHKSIIPKFGKFIQKRFINPNWDPTKNEIYEYIRSDFKDEYLDLENENDAWYIITCI sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand S HHHHHHHHHHHHHHH TTSEEB TT GGGBS EEEEETTTEEEEE SSS HHHHHHHHHHHHHHHH HHHHHHHHHHHHHHHHHHS SGG Kabs/Sand
chirality +-++++++++++++++--++-+----+-+++-+--+--+----++--------+--+++++++++++++++ --+++++++++++++++++++++-++ chirality
bends S SSSSSSSSSSSSSSS SSS SS SSS S SSSS SSS SSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSS SSS bends
turns TTTTTTTTTTTTTTTTTTTT TTTTTTTT TTTTT TTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTT TTT turns
5-turns 5-turns
3-turns >33< >33X>3<< >33< >33< >33< >>3 3-turns
bridge-2 bridge-2
bridge-1 eeA A FFFFF FFFFF bridge-1
sheets AA BBBBB BBBBB sheets
4-turns >>>>XXXXXXXXX<<<< >444< >>>>XXXXXXXXXX<<<< >>>>XXXXXXXXXXXX<<<< 4-turns
summary ShHHHHHHHHHHHHHHHhTTtEEetTTgGGGBS EEEEETTTEEEEE SSShHHHHHHHHHHHHHHHHh hHHHHHHHHHHHHHHHHHHh gGG summary
sequence PDHPESARIYHLCKERFGKQQLVNVADKPDLCDFYFGANLEIGDRLQILISTNGLSPRFGALVRDEIRNLFTQGDLALEDAVVKLGELRRGIRLLAPDDK sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand GTTT HHHHHHHHHHHHHGGGB HHHHHHHHH TTTTS HHHHHHHSB Kabs/Sand
chirality +++ ++++++++--++++++--++++++++ ++----+----++++++++ chirality
bends SSS SSSSSSSS SSSSSS SSSSSSSS SSSS SSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns << >33X>3<< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 B B bridge-1
sheets sheets
4-turns >444<>>>>XXX<>>>XXX<<<< >>>>X<<<< 4-turns
summary GgTTthHHHHHHHHHHHHHhTTBhHHHHHHHHHhtTTTTt hHHHHHHHhB summary
sequence DVKYRDWARRCTDLFGIQHCHNIDVKRLLDLFKVFQEQNCSLQFPPRERLLSEYCS sequence
210 220 230 240 250
Messages
chain break between 31(A 32 ) and 32(A 34 )
chain break between 57(A 59 ) and 58(A 71 )
chain break between 97(A 110 ) and 98(A 112 )
chain break between 173(A 187 ) and 174(A 189 )
chain break between 205(A 220 ) and 206(A 222 )
chain break between 234(A 250 ) and 235(A 252 )