Secondary structure calculation program - copyright by David Keith Smith, 1989
1iow-.pdb
1IOW LIGASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 306
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 1 MET M 0 0 999.9 139.7 -179.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 13
2 2 THR T + 0 0 -45.1 142.5 177.4 83.0 999.9 84.1 0 0.0 0 0.0 0 0.0 0 0.0 3 16
3 3 ASP D e - 0 0 122.0 73.4 -178.4 -169.4 50.3 53.8 0 0.0 36 -0.5 0 0.0 0 0.0 8 29
4 4 LYS K E E Aab - 36 55 -91.3 129.7 179.3 -161.6 4.2 132.6 54 -0.8 56 -3.3 0 0.0 57 -1.0 11 34
5 5 ILE I E E Aab - 37 57 -109.9 129.9 178.6 -143.6 11.2 158.9 36 -2.3 38 -2.4 0 0.0 0 0.0 13 54
6 6 ALA A E E Aab - 38 58 -94.8 132.5 176.5 -157.4 5.9 145.8 57 -2.5 59 -2.9 0 0.0 8 -0.6 14 63
7 7 VAL V E E Aab - 39 59 -111.5 103.1 -179.3 -151.5 12.3 158.0 38 -3.0 40 -2.6 0 0.0 9 -0.6 15 65
8 8 LEU L E E Aab + 40 60 -78.4 115.6 -178.8 155.9 29.8 129.3 59 -1.8 61 -1.8 6 -0.6 0 0.0 14 72
9 9 LEU L e + 0 0 -136.8 168.0 178.9 22.4 39.5 151.5 40 -2.2 11 -1.0 7 -0.6 0 0.0 16 55
10 10 GLY G + 0 0 83.3 -102.8 -179.1 163.0 61.4 132.2 0 0.0 0 0.0 0 0.0 0 0.0 14 47
11 11 GLY G - 0 0 80.5 -159.8 -177.0 -81.4 52.5 114.5 9 -1.0 0 0.0 0 0.0 0 0.0 12 43
12 12 THR T S S S+ 0 0 -128.7 1.2 -179.5 113.2 82.0 67.2 0 0.0 0 0.0 0 0.0 0 0.0 8 35
13 13 SER S S t > TS- 0 0 -67.5 179.3 178.0 -95.1 86.2 92.4 0 0.0 16 -1.4 0 0.0 0 0.0 9 42
14 14 ALA A T T 3 TS+ 0 0 -70.7 -7.9 179.8 61.7 126.0 56.2 0 0.0 0 0.0 0 0.0 0 0.0 7 41
15 15 GLU E T h > > T + 0 0 -102.2 11.7 179.4 116.4 69.0 69.8 0 0.0 19 -1.9 0 0.0 18 -0.7 11 52
16 16 ARG R H H > < TS+ 0 0 -44.8 -55.5 -179.5 48.4 72.4 34.7 13 -1.4 20 -1.6 0 0.0 0 0.0 13 42
17 17 GLU E H H > 3 TS+ 0 0 -59.4 -36.0 178.3 51.3 111.9 31.9 0 0.0 21 -1.3 0 0.0 0 0.0 7 42
18 18 VAL V H H > < TS+ 0 0 -66.3 -39.4 -179.1 52.0 108.7 28.5 15 -0.7 22 -1.6 0 0.0 0 0.0 11 48
19 19 SER S H H X TS+ 0 0 -68.6 -33.0 177.9 54.3 104.3 37.4 15 -1.9 23 -2.4 0 0.0 0 0.0 15 51
20 20 LEU L H H X TS+ 0 0 -69.1 -33.9 178.0 47.8 111.5 30.2 16 -1.6 24 -2.1 0 0.0 0 0.0 10 46
21 21 ASN N H H X TS+ 0 0 -75.4 -32.7 177.0 48.2 111.7 36.2 17 -1.3 25 -1.4 0 0.0 0 0.0 10 42
22 22 SER S H H X TS+ 0 0 -73.3 -38.5 179.4 49.7 113.0 27.1 18 -1.6 26 -2.3 0 0.0 0 0.0 13 55
23 23 GLY G H H X TS+ 0 0 -64.8 -45.7 179.2 52.8 106.7 25.1 19 -2.4 27 -2.6 0 0.0 0 0.0 16 55
24 24 ALA A H H X TS+ 0 0 -54.1 -46.3 179.6 47.6 112.7 21.2 20 -2.1 28 -1.8 0 0.0 0 0.0 8 42
25 25 ALA A H H X TS+ 0 0 -59.4 -52.9 -180.0 44.2 113.7 23.6 21 -1.4 29 -2.3 0 0.0 0 0.0 10 50
26 26 VAL V H H X TS+ 0 0 -64.8 -36.3 179.2 58.5 109.1 34.9 22 -2.3 30 -2.9 0 0.0 0 0.0 13 58
27 27 LEU L H H X TS+ 0 0 -61.1 -48.9 178.9 39.6 112.0 20.2 23 -2.6 31 -2.0 0 0.0 0 0.0 12 49
28 28 ALA A H H X TS+ 0 0 -67.2 -43.8 179.0 53.3 114.7 25.2 24 -1.8 32 -2.9 0 0.0 0 0.0 9 39
29 29 GLY G H H X TS+ 0 0 -56.4 -50.7 178.8 44.5 112.4 19.1 25 -2.3 33 -1.1 0 0.0 0 0.0 13 44
30 30 LEU L H H < >TS+ 0 0 -62.1 -42.0 179.8 46.8 115.5 28.4 26 -2.9 35 -2.7 0 0.0 0 0.0 14 46
31 31 ARG R H H < >5TS+ 0 0 -68.6 -37.6 178.7 56.2 107.7 27.9 27 -2.0 34 -2.0 0 0.0 0 0.0 10 33
32 32 GLU E H H < 35TS+ 0 0 -62.8 -28.0 -179.8 52.3 107.5 37.1 28 -2.9 0 0.0 0 0.0 0 0.0 8 26
33 33 GLY G T h < 35TS- 0 0 -94.2 14.2 177.9 -95.6 129.6 82.1 29 -1.1 0 0.0 0 0.0 0 0.0 9 28
34 34 GLY G T T <5TS+ 0 0 89.5 4.4 -178.8 139.6 76.8 64.1 31 -2.0 0 0.0 0 0.0 0 0.0 6 26
35 35 ILE I t > T - 0 0 -108.1 115.4 179.7 -150.1 15.3 157.9 0 0.0 45 -3.3 0 0.0 44 -2.1 10 45
42 42 PRO P T T 4 3 TS+ 0 0 -59.1 -13.9 178.0 62.0 97.9 46.3 0 0.0 0 0.0 0 0.0 0 0.0 11 44
43 43 LYS K T T 4 3 TS+ 0 0 -80.0 -21.0 -178.5 27.8 118.6 46.9 0 0.0 0 0.0 0 0.0 0 0.0 8 33
44 44 GLU E T T 4 < TS+ 0 0 -104.7 -43.2 -177.7 44.3 125.1 40.3 41 -2.1 0 0.0 0 0.0 0 0.0 6 23
45 45 VAL V S t < TS- 0 0 -112.9 145.4 177.8 -117.5 80.8 147.8 41 -3.3 47 -1.1 0 0.0 0 0.0 7 26
46 46 ASP D g > T - 0 0 -79.2 100.4 -178.5 -164.5 24.4 132.1 0 0.0 49 -1.8 0 0.0 0 0.0 8 29
47 47 VAL V G G > TS+ 0 0 -64.7 -12.2 177.8 80.9 80.0 50.4 45 -1.1 50 -1.8 0 0.0 0 0.0 7 46
48 48 THR T G G 3 TS+ 0 0 -70.6 -0.7 178.9 55.4 91.1 59.6 0 0.0 0 0.0 0 0.0 0 0.0 6 33
49 49 GLN Q G G > < T + 0 0 -111.3 5.0 -179.1 111.0 69.5 72.6 46 -1.8 53 -1.2 0 0.0 0 0.0 7 32
50 50 LEU L T g 4 <>TS+ 0 0 -49.1 -40.1 -179.6 46.0 82.2 31.8 47 -1.8 55 -1.3 0 0.0 0 0.0 10 42
51 51 LYS K T T 4 >5TS+ 0 0 -72.3 -44.4 179.0 53.4 108.3 19.5 0 0.0 54 -1.8 0 0.0 0 0.0 10 35
52 52 SER S T T 4 35TS+ 0 0 -64.7 -11.1 -179.6 62.9 104.4 48.1 0 0.0 0 0.0 0 0.0 0 0.0 6 24
53 53 MET M T T < 35TS- 0 0 -91.7 -11.2 178.6 -107.7 115.8 57.5 49 -1.2 0 0.0 0 0.0 0 0.0 6 31
54 54 GLY G T e <5T + 0 0 98.2 7.5 179.3 149.9 63.1 56.5 51 -1.8 4 -0.8 0 0.0 0 0.0 8 29
55 55 PHE F E E Ab > TS- 0 0 108.5 -172.3 -179.3 -2.7 104.3 128.0 0 0.0 68 -2.8 0 0.0 67 -1.8 14 62
65 65 ARG R T T 4 3 TS+ 0 0 -61.1 133.1 -179.8 32.0 124.7 110.7 0 0.0 0 0.0 0 0.0 0 0.0 10 52
66 66 GLY G T T 4 3 TS+ 0 0 108.5 -29.9 179.0 37.6 129.0 91.9 0 0.0 0 0.0 0 0.0 0 0.0 12 46
67 67 GLY G T T 4 < TS+ 0 0 -122.6 -27.7 -179.4 32.5 123.2 52.3 64 -1.8 0 0.0 0 0.0 0 0.0 13 65
68 68 GLU E S t < TS+ 0 0 -111.8 2.1 -175.0 79.7 99.6 68.3 64 -2.8 0 0.0 0 0.0 0 0.0 15 65
69 69 ASP D S S S- 0 0 -95.9 3.2 179.0 -104.5 103.1 69.8 0 0.0 0 0.0 0 0.0 0 0.0 15 54
70 70 GLY G S h > TS+ 0 0 97.7 -17.1 179.9 96.5 99.4 79.7 0 0.0 74 -1.6 0 0.0 0 0.0 14 40
71 71 THR T H H > TS+ 0 0 -69.9 -50.5 178.6 43.0 89.6 14.8 0 0.0 75 -2.2 0 0.0 0 0.0 11 41
72 72 LEU L H H > TS+ 0 0 -60.8 -42.6 178.8 49.4 116.1 25.8 0 0.0 76 -2.1 0 0.0 0 0.0 10 58
73 73 GLN Q H H > TS+ 0 0 -67.3 -32.4 179.0 57.0 106.8 34.5 0 0.0 77 -1.5 0 0.0 0 0.0 12 53
74 74 GLY G H H X > TS+ 0 0 -61.8 -52.6 179.5 46.5 107.7 11.2 70 -1.6 78 -1.8 0 0.0 77 -0.6 10 34
75 75 MET M H H X 3 TS+ 0 0 -54.8 -49.1 179.0 50.2 111.8 24.5 71 -2.2 79 -2.2 0 0.0 0 0.0 9 37
76 76 LEU L H H X 3>TS+ 0 0 -61.9 -28.5 177.8 57.3 106.4 41.0 72 -2.1 81 -1.8 0 0.0 80 -0.9 11 46
77 77 GLU E H H < <5TS+ 0 0 -69.6 -41.7 179.9 41.0 111.6 24.4 73 -1.5 0 0.0 74 -0.6 0 0.0 9 35
78 78 LEU L H H < 5TS+ 0 0 -76.5 -27.8 178.9 52.9 113.9 37.7 74 -1.8 0 0.0 0 0.0 0 0.0 7 25
79 79 MET M H H < 5TS- 0 0 -77.7 -19.8 -179.5 -123.5 111.4 46.5 75 -2.2 0 0.0 0 0.0 0 0.0 7 29
80 80 GLY G T h < 5T + 0 0 86.8 22.6 -179.2 143.0 59.1 49.0 76 -0.9 0 0.0 0 0.0 0 0.0 6 31
81 81 LEU L t T - 0 0 -79.9 -163.8 -179.3 -78.7 44.9 84.9 0 0.0 91 -1.7 0 0.0 0 0.0 11 50
88 88 VAL V H H > TS+ 0 0 -66.7 -53.1 179.9 42.9 125.1 19.1 0 0.0 92 -2.3 0 0.0 0 0.0 11 43
89 89 MET M H H > TS+ 0 0 -59.6 -53.2 -179.8 44.9 117.1 18.2 0 0.0 93 -2.5 0 0.0 0 0.0 8 38
90 90 ALA A H H > TS+ 0 0 -60.9 -42.8 179.4 47.8 115.8 26.2 0 0.0 94 -2.6 0 0.0 0 0.0 12 50
91 91 SER S H H X TS+ 0 0 -65.9 -42.1 178.9 45.9 113.8 27.5 87 -1.7 95 -1.3 0 0.0 0 0.0 14 58
92 92 ALA A H H X TS+ 0 0 -66.7 -39.0 179.9 46.5 116.8 29.5 88 -2.3 96 -0.7 0 0.0 0 0.0 12 47
93 93 LEU L H H < > TS+ 0 0 -71.6 -40.8 -179.9 51.7 110.0 25.2 89 -2.5 96 -0.5 0 0.0 0 0.0 11 51
94 94 SER S H H < 3 TS+ 0 0 -67.6 -29.7 178.6 59.1 103.5 40.6 90 -2.6 0 0.0 0 0.0 0 0.0 15 57
95 95 MET M H H < 3 TS+ 0 0 -68.5 -31.5 -178.4 70.9 95.0 37.7 91 -1.3 97 -0.9 0 0.0 0 0.0 17 64
96 96 ASP D h X < T - 0 0 -94.3 104.9 180.0 -171.6 61.9 141.2 92 -0.7 100 -2.4 93 -0.5 0 0.0 10 52
97 97 LYS K H H > TS+ 0 0 -65.9 -30.6 178.0 55.1 85.6 39.0 146 -2.0 101 -1.2 95 -0.9 0 0.0 10 65
98 98 LEU L H H > TS+ 0 0 -68.4 -41.3 179.6 40.3 114.6 25.7 0 0.0 102 -1.6 0 0.0 0 0.0 10 49
99 99 ARG R H H > TS+ 0 0 -79.7 -29.6 174.9 55.5 110.4 35.1 0 0.0 103 -1.9 0 0.0 0 0.0 9 48
100 100 SER S H H X TS+ 0 0 -66.6 -33.2 179.9 51.0 110.6 29.5 96 -2.4 104 -2.6 0 0.0 0 0.0 13 59
101 101 LYS K H H X TS+ 0 0 -69.1 -47.5 179.6 47.9 107.5 27.1 97 -1.2 105 -3.0 0 0.0 0 0.0 9 51
102 102 LEU L H H X TS+ 0 0 -58.3 -48.5 179.7 46.5 116.1 20.7 98 -1.6 106 -2.6 0 0.0 0 0.0 8 36
103 103 LEU L H H X TS+ 0 0 -57.9 -55.8 179.8 45.9 115.0 18.0 99 -1.9 107 -1.6 0 0.0 0 0.0 10 38
104 104 TRP W H H < >TS+ 0 0 -56.3 -51.0 179.1 43.3 116.6 20.8 100 -2.6 109 -2.2 0 0.0 0 0.0 14 43
105 105 GLN Q H H < >5TS+ 0 0 -63.9 -38.4 179.0 55.5 111.3 29.9 101 -3.0 108 -1.4 0 0.0 0 0.0 10 33
106 106 GLY G H H < 35TS+ 0 0 -64.0 -30.0 178.0 53.2 105.2 39.0 102 -2.6 0 0.0 0 0.0 0 0.0 7 23
107 107 ALA A T h < 35TS- 0 0 -82.8 -1.1 -179.3 -105.1 125.2 68.0 103 -1.6 0 0.0 0 0.0 0 0.0 7 25
108 108 GLY G T T <5TS+ 0 0 90.6 -0.5 -178.9 145.1 73.1 64.8 105 -1.4 0 0.0 0 0.0 0 0.0 6 27
109 109 LEU L t BC T - 176 0 -107.3 154.5 -180.0 -116.1 28.6 144.5 0 0.0 122 -1.7 0 0.0 0 0.0 9 38
119 119 ARG R H H > TS+ 0 0 -54.7 -42.1 179.3 57.7 115.1 22.6 175 -2.3 123 -2.5 0 0.0 0 0.0 10 36
120 120 ALA A H H > TS+ 0 0 -54.2 -49.3 179.1 48.3 104.8 25.4 0 0.0 124 -2.1 0 0.0 0 0.0 7 22
121 121 GLU E H H > TS+ 0 0 -60.4 -33.9 -179.2 52.0 112.8 30.6 0 0.0 125 -0.8 0 0.0 0 0.0 9 28
122 122 PHE F H H < TS+ 0 0 -68.9 -44.2 -178.9 47.0 109.1 24.3 118 -1.7 0 0.0 0 0.0 0 0.0 9 36
123 123 GLU E H H < TS+ 0 0 -66.4 -36.3 -178.6 52.3 111.4 33.9 119 -2.5 0 0.0 0 0.0 0 0.0 6 26
124 124 LYS K H H < TS- 0 0 -75.8 -18.0 -179.6 -94.3 124.4 49.9 120 -2.1 0 0.0 0 0.0 0 0.0 6 19
125 125 GLY G h < T - 0 0 109.5 134.4 -179.1 -85.0 38.0 84.8 121 -0.8 127 -1.1 0 0.0 0 0.0 6 21
126 126 LEU L - 0 0 -77.0 102.0 179.7 -127.3 42.1 128.5 0 0.0 128 -1.5 0 0.0 0 0.0 9 32
127 127 SER S t > T - 0 0 -51.7 84.6 179.6 -119.9 31.8 107.2 125 -1.1 130 -2.4 0 0.0 129 -1.7 6 22
128 128 ASP D T h > 3 TS+ 0 0 0.9 -34.8 178.0 64.6 113.0 70.4 126 -1.5 132 -0.8 0 0.0 0 0.0 6 21
129 129 LYS K H H > 3 TS+ 0 0 -76.5 -10.5 177.7 68.3 91.7 58.3 127 -1.7 133 -1.1 0 0.0 0 0.0 7 19
130 130 GLN Q H H > X TS+ 0 0 -68.3 -46.8 180.0 46.0 100.1 19.9 127 -2.4 134 -1.6 0 0.0 133 -0.7 8 32
131 131 LEU L H H > 3 TS+ 0 0 -65.5 -30.2 179.4 62.6 105.0 37.9 0 0.0 135 -2.9 0 0.0 0 0.0 9 37
132 132 ALA A H H X 3 TS+ 0 0 -66.5 -33.3 179.4 43.7 106.2 33.3 128 -0.8 136 -0.8 0 0.0 0 0.0 8 24
133 133 GLU E H H < < TS+ 0 0 -80.7 -29.3 178.5 49.6 115.4 32.5 129 -1.1 0 0.0 130 -0.7 0 0.0 9 27
134 134 ILE I H H < > TS+ 0 0 -74.6 -35.6 179.7 51.4 108.5 33.4 130 -1.6 137 -1.0 0 0.0 0 0.0 11 42
135 135 SER S H H < > TS+ 0 0 -73.3 -21.8 -179.3 67.6 98.3 38.5 131 -2.9 138 -1.1 0 0.0 0 0.0 9 34
136 136 ALA A T h < 3 TS+ 0 0 -71.3 -14.2 179.1 67.1 88.7 52.9 132 -0.8 0 0.0 0 0.0 0 0.0 6 27
137 137 LEU L T T < TS- 0 0 -74.1 -28.0 -177.4 -130.2 106.5 37.3 134 -1.0 0 0.0 0 0.0 0 0.0 11 33
138 138 GLY G t < T - 0 0 95.1 169.9 177.7 -41.3 39.1 110.5 135 -1.1 0 0.0 0 0.0 0 0.0 8 33
139 139 LEU L S S S+ 0 0 -120.3 151.4 -0.5 40.1 104.3 153.4 0 0.0 0 0.0 0 0.0 0 0.0 11 34
140 140 PRO P S e S+ 0 0 -77.0 178.8 -179.9 178.1 72.2 46.5 0 0.0 182 -1.4 0 0.0 0 0.0 10 40
141 141 VAL V E E BDE - 157 181 -141.7 162.0 179.0 -126.0 23.0 153.5 157 -1.7 157 -2.3 0 0.0 0 0.0 13 48
142 142 ILE I E E BDE - 156 180 -120.1 134.0 -178.2 -157.8 13.7 166.2 180 -2.8 180 -2.9 0 0.0 0 0.0 13 58
143 143 VAL V E E BDE + 155 179 -108.5 128.7 -179.3 166.0 21.2 155.3 155 -2.4 155 -1.4 0 0.0 0 0.0 15 64
144 144 LYS K E E B E - 0 178 -145.9 147.6 179.0 -110.5 39.5 175.4 178 -2.3 178 -2.2 0 0.0 0 0.0 12 58
145 145 PRO P E E B E> T - 0 177 -70.5 149.5 -179.1 -128.6 32.9 121.3 0 0.0 148 -0.7 0 0.0 0 0.0 16 55
146 146 SER S T e 3 TS+ 0 0 -67.5 -41.1 -176.9 38.1 97.3 24.0 176 -2.1 97 -2.0 0 0.0 0 0.0 12 55
147 147 ARG R T T 3 TS+ 0 0 -112.8 54.1 178.5 97.7 93.5 107.7 0 0.0 0 0.0 0 0.0 0 0.0 10 56
148 148 GLU E t < T - 0 0 -126.5 179.0 178.1 -163.0 43.7 131.6 145 -0.7 0 0.0 0 0.0 0 0.0 13 58
149 149 GLY G t > T + 0 0 -149.0 179.4 178.9 52.8 64.5 151.6 0 0.0 152 -1.7 0 0.0 0 0.0 8 66
150 150 SER S T T 3 TS- 0 0 56.1 32.2 -179.2 -71.6 123.0 38.0 0 0.0 0 0.0 0 0.0 0 0.0 8 58
151 151 SER S T T > TS+ 0 0 55.3 27.6 179.7 164.1 85.1 41.4 0 0.0 154 -0.7 0 0.0 0 0.0 9 53
152 152 VAL V T T < T + 0 0 -77.8 132.6 178.0 7.1 62.3 126.5 149 -1.7 0 0.0 0 0.0 0 0.0 10 45
153 153 GLY G T T 3 TS+ 0 0 82.2 -7.3 -178.2 125.7 100.4 74.8 0 0.0 0 0.0 0 0.0 0 0.0 12 43
154 154 MET M t < T + 0 0 -84.9 164.8 177.4 161.3 27.3 107.5 151 -0.7 0 0.0 0 0.0 0 0.0 12 50
155 155 SER S E E BD - 143 0 -173.6 159.1 179.6 -114.8 33.6 164.6 143 -1.4 143 -2.4 0 0.0 0 0.0 8 48
156 156 LYS K E E BD - 142 0 -104.6 136.2 178.3 -159.2 22.9 154.9 0 0.0 158 -0.5 0 0.0 0 0.0 9 44
157 157 VAL V E E BD - 141 0 -120.5 115.6 176.6 -165.2 4.1 165.6 141 -2.3 141 -1.7 0 0.0 159 -0.6 13 38
158 158 VAL V S S S+ 0 0 -96.4 120.8 179.9 1.7 70.5 159.8 156 -0.5 0 0.0 0 0.0 0 0.0 9 31
159 159 ALA A S g > TS- 0 0 72.7 138.9 -178.3 -92.8 87.6 53.6 157 -0.6 162 -2.3 0 0.0 0 0.0 8 29
160 160 GLU E G G > TS+ 0 0 -50.4 -28.3 179.9 77.5 115.0 45.1 0 0.0 163 -1.4 0 0.0 0 0.0 8 34
161 161 ASN N G G 3 TS+ 0 0 -57.5 -29.1 -178.5 48.6 94.4 41.1 0 0.0 0 0.0 0 0.0 0 0.0 6 25
162 162 ALA A G h > < TS+ 0 0 -91.9 -5.2 -177.0 95.7 83.1 56.9 159 -2.3 166 -1.3 0 0.0 0 0.0 9 27
163 163 LEU L H H > < TS+ 0 0 -57.0 -37.5 -177.8 61.6 73.6 33.7 160 -1.4 167 -2.5 0 0.0 0 0.0 9 50
164 164 GLN Q H H > TS+ 0 0 -57.9 -50.0 -178.8 44.2 105.3 22.2 0 0.0 168 -2.2 0 0.0 0 0.0 7 42
165 165 ASP D H H > TS+ 0 0 -63.5 -35.8 179.6 53.1 113.1 30.8 0 0.0 169 -1.5 0 0.0 0 0.0 7 32
166 166 ALA A H H X TS+ 0 0 -64.9 -49.0 179.6 46.0 110.4 20.0 162 -1.3 170 -2.1 0 0.0 0 0.0 13 47
167 167 LEU L H H X TS+ 0 0 -63.2 -36.5 179.7 57.0 108.8 29.1 163 -2.5 171 -2.5 0 0.0 0 0.0 10 49
168 168 ARG R H H < TS+ 0 0 -64.1 -34.8 178.6 46.1 108.9 32.1 164 -2.2 0 0.0 0 0.0 0 0.0 8 39
169 169 LEU L H H < > TS+ 0 0 -73.1 -44.2 179.5 49.5 112.4 25.8 165 -1.5 172 -1.2 0 0.0 0 0.0 10 37
170 170 ALA A H H X > TS+ 0 0 -63.0 -42.7 -179.8 57.5 105.0 23.6 166 -2.1 173 -2.1 0 0.0 174 -1.2 14 47
171 171 PHE F T h < 3 TS+ 0 0 -68.7 -2.4 178.1 71.8 91.5 59.1 167 -2.5 0 0.0 0 0.0 0 0.0 13 40
172 172 GLN Q T T 4 < TS+ 0 0 -81.7 -18.3 -177.8 35.3 108.3 51.8 169 -1.2 0 0.0 0 0.0 0 0.0 8 33
173 173 HIS H T T 4 < TS+ 0 0 -109.1 -23.1 179.7 9.7 128.1 49.6 170 -2.1 0 0.0 0 0.0 0 0.0 9 40
174 174 ASP D t < T - 0 0 -155.3 158.7 178.8 -132.3 54.8 172.1 170 -1.2 0 0.0 0 0.0 0 0.0 10 41
175 175 GLU E S e S+ 0 0 -89.6 -9.1 178.6 59.8 96.3 58.6 0 0.0 119 -2.3 0 0.0 0 0.0 10 36
176 176 GLU E E E BC S- 118 0 -123.3 129.3 -176.7 -174.8 70.1 173.0 0 0.0 146 -2.1 0 0.0 0 0.0 11 39
177 177 VAL V E E BCE - 117 145 -126.5 152.0 178.8 -148.5 14.6 152.5 117 -3.0 117 -2.3 0 0.0 0 0.0 17 55
178 178 LEU L E E BCE - 116 144 -118.9 144.0 177.4 -166.2 2.9 158.9 144 -2.2 144 -2.3 0 0.0 0 0.0 14 62
179 179 ILE I E E BCE - 115 143 -126.2 113.0 179.9 -177.5 24.1 175.7 115 -2.0 115 -2.2 0 0.0 0 0.0 13 64
180 180 GLU E E E BCE - 114 142 -123.6 154.0 -179.4 -92.1 33.1 156.8 142 -2.9 142 -2.8 0 0.0 0 0.0 12 57
181 181 LYS K E E B E - 0 141 -54.2 136.0 180.0 -113.1 47.7 105.4 113 -2.9 0 0.0 0 0.0 0 0.0 13 49
182 182 TRP W e - 0 0 -76.8 122.5 179.5 -147.0 30.0 132.2 140 -1.4 0 0.0 0 0.0 0 0.0 8 47
183 183 LEU L - 0 0 -92.3 142.3 -178.6 -134.7 9.4 138.5 0 0.0 0 0.0 0 0.0 0 0.0 9 42
184 184 SER S + 0 0 -67.4 -30.3 -179.1 177.7 52.6 41.1 0 0.0 0 0.0 0 0.0 0 0.0 8 39
185 185 GLY G - 0 0 92.0 -177.5 0.2 -158.1 65.9 111.1 260 -2.4 0 0.0 0 0.0 0 0.0 7 40
186 186 PRO P e - 0 0 -59.5 176.8 -178.3 -137.7 53.2 60.6 0 0.0 260 -2.4 0 0.0 0 0.0 10 44
187 187 GLU E E E CFG - 203 259 -116.1 146.4 -177.9 -173.8 21.7 154.4 203 -0.8 203 -2.0 0 0.0 0 0.0 11 53
188 188 PHE F E E CFG - 202 258 -137.7 162.7 177.8 -161.5 14.0 151.3 258 -3.7 258 -2.8 0 0.0 0 0.0 12 59
189 189 THR T E E CFG - 201 257 -143.2 142.6 -178.3 -164.5 6.6 169.5 201 -1.8 201 -2.0 0 0.0 0 0.0 13 66
190 190 VAL V E E C G - 0 256 -136.9 115.7 -179.3 -152.1 9.3 163.0 256 -2.3 256 -2.5 0 0.0 0 0.0 15 68
191 191 ALA A E E C G - 0 255 -89.1 148.8 179.7 -156.9 4.4 125.2 0 0.0 198 -2.4 0 0.0 0 0.0 14 66
192 192 ILE I E E CHG - 197 254 -125.2 140.5 179.0 -177.3 10.0 163.8 254 -2.9 254 -2.1 0 0.0 0 0.0 12 61
193 193 LEU L E E CHG> T - 196 253 -139.6 95.6 -179.5 -49.8 66.7 148.8 196 -2.6 196 -1.3 0 0.0 0 0.0 11 56
194 194 GLY G T e 3 TS- 0 0 80.1 -126.3 -179.6 -17.8 122.0 127.5 252 -3.2 0 0.0 0 0.0 0 0.0 9 43
195 195 GLU E T T 3 TS+ 0 0 -97.6 8.4 -178.5 86.7 122.7 74.2 0 0.0 0 0.0 0 0.0 0 0.0 5 33
196 196 GLU E E E CH < T - 193 0 -118.5 141.1 178.3 -147.1 63.5 151.0 193 -1.3 193 -2.6 0 0.0 198 -0.5 6 39
197 197 ILE I E E CH - 192 0 -103.9 126.7 -178.3 -137.1 22.8 153.5 0 0.0 0 0.0 0 0.0 0 0.0 10 52
198 198 LEU L e - 0 0 -76.5 162.6 179.7 -72.2 40.6 109.3 191 -2.4 0 0.0 196 -0.5 0 0.0 11 50
199 199 PRO P - 0 0 -58.8 142.1 -178.6 -100.6 61.2 107.6 0 0.0 0 0.0 0 0.0 0 0.0 12 50
200 200 SER S - 0 0 -62.4 153.9 178.9 -148.0 28.5 99.2 0 0.0 0 0.0 0 0.0 0 0.0 13 56
201 201 ILE I E E CF - 189 0 -126.1 135.8 176.4 -152.5 1.3 169.5 189 -2.0 189 -1.8 0 0.0 203 -0.5 14 52
202 202 ARG R E E CFI - 188 224 -108.0 125.7 179.7 -148.8 16.2 162.2 224 -2.2 224 -1.5 0 0.0 0 0.0 14 47
203 203 ILE I E E CFI - 187 223 -97.3 144.8 179.8 -170.8 12.4 138.3 187 -2.0 187 -0.8 201 -0.5 0 0.0 12 50
204 204 GLN Q E E C I - 0 222 -138.2 92.0 179.7 -168.0 8.1 144.2 222 -2.2 222 -2.5 0 0.0 0 0.0 10 40
205 205 PRO P - 0 0 -74.3 155.4 177.7 -136.1 22.4 114.2 0 0.0 0 0.0 0 0.0 0 0.0 11 35
206 206 SER S S S S+ 0 0 -81.3 -37.9 -179.7 39.8 84.1 26.6 0 0.0 0 0.0 0 0.0 0 0.0 8 24
207 207 GLY G S S S- 0 0 -91.2 -150.5 -178.8 -54.1 114.0 78.3 0 0.0 0 0.0 0 0.0 0 0.0 5 26
208 208 THR T S S S- 0 0 -56.4 -49.0 178.3 -18.8 110.4 32.1 0 0.0 0 0.0 0 0.0 0 0.0 5 32
209 209 PHE F S S S- 0 0 -154.0 173.2 -178.7 -68.4 87.4 160.6 0 0.0 211 -2.3 0 0.0 0 0.0 6 48
210 210 TYR Y S S S+ 0 0 -69.6 74.9 -178.4 175.5 70.7 116.6 0 0.0 0 0.0 0 0.0 0 0.0 10 49
211 211 ASP D h > T - 0 0 -79.8 -179.8 -178.4 -87.8 47.2 98.2 209 -2.3 215 -1.8 0 0.0 0 0.0 8 38
212 212 TYR Y H H > TS+ 0 0 -52.4 -51.6 179.5 46.1 128.5 25.7 0 0.0 216 -2.2 0 0.0 0 0.0 10 39
213 213 GLU E H H > >TS+ 0 0 -59.3 -42.1 -179.8 50.9 111.7 29.6 0 0.0 218 -2.6 0 0.0 217 -1.8 7 33
214 214 ALA A H H 4 5TS+ 0 0 -69.9 -24.0 -179.9 47.9 113.3 41.9 0 0.0 0 0.0 0 0.0 0 0.0 13 35
215 215 LYS K H H < 5TS+ 0 0 -83.5 -42.0 -175.8 5.3 133.5 26.9 211 -1.8 0 0.0 0 0.0 0 0.0 12 48
216 216 PHE F H H < 5TS+ 0 0 -120.7 -17.3 -176.5 39.7 130.3 51.0 212 -2.2 0 0.0 0 0.0 0 0.0 8 43
217 217 LEU L T h < 5TS+ 0 0 -110.7 -32.6 -178.6 69.8 91.4 35.5 213 -1.8 0 0.0 0 0.0 0 0.0 7 28
218 218 SER S t > T - 0 0 -69.1 147.7 -179.7 -105.4 41.7 117.2 0 0.0 234 -2.7 0 0.0 233 -1.9 6 22
231 231 ALA A H H > 3 TS+ 0 0 -42.0 -39.2 179.0 61.1 120.8 39.2 0 0.0 235 -2.9 0 0.0 0 0.0 6 16
232 232 SER S H H > 3 TS+ 0 0 -57.8 -43.5 179.1 34.9 112.9 30.9 0 0.0 236 -1.5 0 0.0 0 0.0 7 18
233 233 GLN Q H H > < TS+ 0 0 -80.7 -40.1 178.7 55.3 115.4 29.9 230 -1.9 237 -2.4 0 0.0 0 0.0 8 33
234 234 GLU E H H X TS+ 0 0 -59.4 -36.3 178.7 48.1 110.7 24.1 230 -2.7 238 -1.5 0 0.0 0 0.0 11 37
235 235 ALA A H H X TS+ 0 0 -66.8 -47.8 -179.7 50.9 109.6 21.7 231 -2.9 239 -1.8 0 0.0 0 0.0 8 28
236 236 ASN N H H X TS+ 0 0 -60.0 -35.8 179.8 57.1 106.2 34.3 232 -1.5 240 -2.1 0 0.0 0 0.0 8 33
237 237 LEU L H H X TS+ 0 0 -61.0 -52.0 -179.2 44.5 108.5 18.7 233 -2.4 241 -2.8 0 0.0 0 0.0 9 50
238 238 GLN Q H H X TS+ 0 0 -61.5 -41.1 178.9 53.3 111.4 33.5 234 -1.5 242 -2.6 0 0.0 0 0.0 10 50
239 239 ALA A H H X TS+ 0 0 -60.0 -47.8 -179.3 43.2 114.0 17.7 235 -1.8 243 -2.1 0 0.0 0 0.0 8 37
240 240 LEU L H H X TS+ 0 0 -63.6 -50.2 -179.6 46.9 115.2 24.7 236 -2.1 244 -2.4 0 0.0 0 0.0 9 46
241 241 VAL V H H X TS+ 0 0 -61.8 -42.1 179.3 51.4 111.8 24.9 237 -2.8 245 -2.8 0 0.0 0 0.0 10 60
242 242 LEU L H H X TS+ 0 0 -64.3 -40.1 179.5 46.5 111.7 23.4 238 -2.6 246 -2.6 0 0.0 0 0.0 9 47
243 243 LYS K H H X TS+ 0 0 -67.6 -37.8 179.5 50.4 112.7 27.6 239 -2.1 247 -2.3 0 0.0 0 0.0 8 45
244 244 ALA A H H X TS+ 0 0 -62.7 -43.0 -179.9 49.6 111.7 22.8 240 -2.4 248 -1.6 0 0.0 0 0.0 11 56
245 245 TRP W H H X >TS+ 0 0 -62.6 -52.4 -178.2 41.6 114.5 17.8 241 -2.8 250 -1.4 0 0.0 249 -1.0 11 60
246 246 THR T H H < 5TS+ 0 0 -70.0 -34.3 178.2 56.8 109.5 32.7 242 -2.6 0 0.0 0 0.0 0 0.0 8 47
247 247 THR T H H < 5TS+ 0 0 -61.7 -38.5 178.9 48.2 109.3 25.1 243 -2.3 0 0.0 0 0.0 0 0.0 9 41
248 248 LEU L H H < 5TS- 0 0 -71.2 -26.7 179.0 -127.7 110.4 41.7 244 -1.6 0 0.0 0 0.0 0 0.0 12 53
249 249 GLY G T h < 5T + 0 0 86.9 15.7 -179.7 160.0 50.4 51.2 245 -1.0 0 0.0 0 0.0 0 0.0 9 41
250 250 CYS C t T - 0 0 -133.4 167.4 -178.0 -88.6 37.1 150.2 265 -1.2 264 -2.9 0 0.0 0 0.0 12 31
262 262 SER S T T 3 TS+ 0 0 -53.0 -14.7 178.1 61.5 122.0 56.6 0 0.0 0 0.0 0 0.0 0 0.0 7 22
263 263 ASP D T T 3 TS- 0 0 -94.5 6.8 -179.1 -114.3 116.4 70.9 0 0.0 0 0.0 0 0.0 0 0.0 4 19
264 264 GLY G S t < TS+ 0 0 73.6 7.9 -179.4 126.9 75.4 57.7 261 -2.9 0 0.0 0 0.0 0 0.0 6 26
265 265 GLN Q e - 0 0 -98.6 156.7 178.9 -116.3 59.8 131.5 0 0.0 261 -1.2 0 0.0 0 0.0 7 36
266 266 PHE F E E CJ - 260 0 -89.6 144.3 178.9 -163.1 26.4 130.0 0 0.0 0 0.0 0 0.0 0 0.0 10 50
267 267 TYR Y E E CJ - 259 0 -132.9 130.8 179.6 -123.6 18.8 175.5 259 -1.9 259 -1.9 0 0.0 0 0.0 11 53
268 268 LEU L E E CJb + 258 111 -73.5 130.7 179.0 177.2 25.3 121.9 110 -2.9 112 -0.6 0 0.0 0 0.0 13 60
269 269 LEU L E E C* - 0 0 -95.6 -57.9 179.2 -55.7 57.5 30.4 257 -2.8 0 0.0 0 0.0 0 0.0 10 71
270 270 GLU E E E CJ - 257 0 -171.7 174.1 177.5 -112.9 41.2 166.1 257 -0.9 257 -2.6 0 0.0 0 0.0 10 71
271 271 ALA A E E CJ - 256 0 -124.6 136.8 179.2 -151.2 20.7 167.3 0 0.0 0 0.0 0 0.0 0 0.0 11 71
272 272 ASN N E E CJ - 255 0 -110.7 127.2 -178.4 -170.2 7.5 161.1 255 -2.5 255 -1.9 0 0.0 0 0.0 10 71
273 273 THR T S S S+ 0 0 -91.8 -13.7 176.9 32.4 84.9 54.6 0 0.0 0 0.0 0 0.0 0 0.0 14 72
274 274 SER S S S S- 0 0 -144.0 77.8 -179.5 -163.5 87.6 133.9 0 0.0 0 0.0 0 0.0 0 0.0 12 81
275 275 PRO P - 0 0 -60.2 158.4 178.5 -89.8 27.0 97.2 0 0.0 0 0.0 0 0.0 0 0.0 10 71
276 276 GLY G - 0 0 -72.8 147.3 179.3 -173.4 31.8 114.9 0 0.0 0 0.0 0 0.0 0 0.0 12 70
277 277 MET M + 0 0 -127.1 17.7 -180.0 122.3 41.9 83.5 0 0.0 0 0.0 0 0.0 0 0.0 14 64
278 278 THR T S t > TS- 0 0 -69.3 -174.2 -179.4 -89.2 83.7 88.4 0 0.0 281 -1.1 0 0.0 0 0.0 9 48
279 279 SER S T T 3 TS+ 0 0 -75.7 -11.8 -179.4 50.0 130.2 50.8 0 0.0 0 0.0 0 0.0 0 0.0 5 40
280 280 HIS H T T 3 TS+ 0 0 -103.6 0.4 -177.1 122.3 89.5 66.6 0 0.0 0 0.0 0 0.0 0 0.0 7 45
281 281 SER S h > < T - 0 0 -78.9 148.6 -179.0 -144.3 57.3 110.1 278 -1.1 285 -0.8 0 0.0 0 0.0 11 64
282 282 LEU L H H > TS+ 0 0 -70.9 -44.6 179.2 60.9 93.1 33.8 0 0.0 286 -1.9 0 0.0 0 0.0 10 66
283 283 VAL V H H > TS+ 0 0 -55.9 -45.9 179.7 48.5 105.5 24.4 0 0.0 287 -2.1 0 0.0 0 0.0 11 65
284 284 PRO P H H > TS+ 0 0 -63.3 -30.6 179.6 55.7 109.1 30.2 0 0.0 288 -2.0 0 0.0 0 0.0 11 56
285 285 MET M H H X TS+ 0 0 -65.0 -46.6 179.4 46.0 108.6 29.2 281 -0.8 289 -1.6 0 0.0 0 0.0 9 49
286 286 ALA A H H X TS+ 0 0 -65.8 -45.1 179.1 50.5 111.6 25.7 282 -1.9 290 -1.8 0 0.0 0 0.0 14 51
287 287 ALA A H H < >TS+ 0 0 -60.8 -41.2 179.4 55.2 107.4 24.1 283 -2.1 292 -2.4 0 0.0 0 0.0 13 49
288 288 ARG R H H < >5TS+ 0 0 -56.1 -49.3 178.0 47.6 108.4 20.7 284 -2.0 291 -1.9 0 0.0 0 0.0 10 36
289 289 GLN Q H H < 35TS+ 0 0 -61.4 -32.3 179.6 58.8 106.7 32.1 285 -1.6 0 0.0 0 0.0 0 0.0 10 33
290 290 ALA A T h < 35TS- 0 0 -81.2 11.6 178.3 -105.7 125.5 77.1 286 -1.8 0 0.0 0 0.0 0 0.0 8 32
291 291 GLY G T T <5TS+ 0 0 80.9 2.9 -179.8 129.2 77.4 64.2 288 -1.9 0 0.0 0 0.0 0 0.0 6 24
292 292 MET M t T - 0 0 -90.0 163.0 178.7 -107.6 31.9 120.9 0 0.0 297 -2.2 0 0.0 0 0.0 8 32
294 294 PHE F H H > TS+ 0 0 -57.1 -38.3 179.3 51.4 122.9 28.9 0 0.0 298 -2.1 0 0.0 0 0.0 10 43
295 295 SER S H H > TS+ 0 0 -63.1 -49.4 180.0 50.7 108.0 20.3 0 0.0 299 -2.9 0 0.0 0 0.0 12 39
296 296 GLN Q H H > TS+ 0 0 -56.3 -46.7 179.2 48.9 110.5 26.1 0 0.0 300 -2.3 0 0.0 0 0.0 10 36
297 297 LEU L H H X TS+ 0 0 -59.3 -54.1 179.7 44.5 114.0 16.7 293 -2.2 301 -2.5 0 0.0 0 0.0 11 57
298 298 VAL V H H X TS+ 0 0 -57.6 -47.3 179.3 50.6 113.6 21.8 294 -2.1 302 -2.1 0 0.0 0 0.0 11 64
299 299 VAL V H H X TS+ 0 0 -58.6 -37.5 178.4 50.3 111.3 25.1 295 -2.9 303 -1.6 0 0.0 0 0.0 11 48
300 300 ARG R H H X TS+ 0 0 -67.5 -44.1 180.0 53.5 106.4 25.8 296 -2.3 304 -1.2 0 0.0 0 0.0 8 50
301 301 ILE I H H < TS+ 0 0 -58.8 -40.9 179.4 48.5 109.6 26.6 297 -2.5 0 0.0 0 0.0 0 0.0 14 60
302 302 LEU L H H < > TS+ 0 0 -67.8 -34.0 178.5 59.9 104.9 31.8 298 -2.1 305 -1.5 0 0.0 0 0.0 10 54
303 303 GLU E H H < 3 TS+ 0 0 -61.5 -32.2 179.5 54.0 102.4 36.9 299 -1.6 0 0.0 0 0.0 0 0.0 6 38
304 304 LEU L T h < 3 TS+ 0 0 -80.5 -4.9 -179.6 124.2 83.3 59.0 300 -1.2 0 0.0 0 0.0 0 0.0 10 36
305 305 ALA A t < T 0 0 -61.1 142.2 -179.5 999.9 999.9 101.6 302 -1.5 0 0.0 0 0.0 0 0.0 12 43
306 306 ASP D 0 0 -159.5 999.9 999.9 999.9 999.9 73.6 83 -1.9 0 0.0 0 0.0 0 0.0 6 35
1iow-.pdb
1IOW LIGASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEE SSTTHHHHHHHHHHHHHHHHHTT EEEEE TTTS GGGTTTTTEEEEEE STTTSSSHHHHHHHHHT BSS HHHHHHHH HHHH Kabs/Sand
chirality +-----+++-+-+++++++++++++++++++-+-+-----+++--++++++-+-+---++-+-++++-+++++++++-+---+---++++++++-++++ chirality
bends SSS SSSSSSSSSSSSSSSSSSS SSSS SS SSSS S SSSSSSSSSSSSSSSS SS SSSSSSSS SSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTT TTTTT TTTTTTTTTTTT TTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >3><3< >33< >33< >>3<<>33< >33< >33< >33< 3-turns
bridge-2 bbbbb a bridge-2
bridge-1 aaaaa aaaaa b*bbbb a bridge-1
sheets AAAAA AAAAA AAAAAA sheets
4-turns >>>>XXXXXXXXXXX<<<< >444< >444< >444< >>>>XXX<<<< >>>>XX<<>>X 4-turns
summary eEEEEEe StThHHHHHHHHHHHHHHHHHhTtEEEEEtTTTtgGGGgTTTeEEEEEEe tTTTtShHHHHHHHHHht BSS hHHHHHHHHhHHHH summary
sequence MTDKIAVLLGGTSAEREVSLNSGAAVLAGLREGGIDAYPVDPKEVDVTQLKSMGFQKVFIALHGRGGEDGTLQGMLELMGLPYTGSGVMASALSMDKLRS sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHTT B EEEEEHHHHHH THHHHHHHTT SSEEEEETT TTTT EEESSGGGHHHHHHHHTTT SEEEEEE EEEEEEETTEE Kabs/Sand
chirality ++++++-+-+--+-----+++++----+++++++++--++--+--++-+-++++---+-++++++++++++++-+--------+----------+----- chirality
bends SSSSSSSS SSSSSS SSSSSSSSSS SS SS SS S SSSSSSSSSSSSSSSS SS SS bends
turns TTTTTTTTT TTTTTTTT TTTTTTTTTTTT TTTTTTTTTT TTTTTTTTTTTTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >33X33<>>3<< >33<>3><3< >>3<< >>3<< >33< 3-turns
bridge-2 EEEEE EEEEE GGGGGGG bridge-2
bridge-1 b CCCCC DDD DDD CCCCC FFF HH HH bridge-1
sheets BBBBB BBBBB BBB BBBBBB CCCCCCC CC sheets
4-turns XXX<<<< >>>><<<< >>>>X<<<< >>>>XX<5555< >5555< >5555< 5-turns
3-turns >33< >33< >33< >33< 3-turns
bridge-2 III JJJJJJ b bridge-2
bridge-1 FFF III GGGGGGG JJJ*JJJ bridge-1
sheets CCCC CCC CCCCCCCC CCCCCCC sheets
4-turns >>>4<<< >>>>XXXXXXXXXXXX<<<< >>>>XX<<<< >>>>XXXX 4-turns
summary EEEE SSSSShHHHHHhtS EEESS hHHHHHHHHHHHHHHHHHHht eEEEEEEEEeTTteEEEEEEESS tTThHHHHHHHHhTthHHHHHHH summary
sequence IRIQPSGTFYDYEAKFLSDETQYFCPAGLEASQEANLQALVLKAWTTLGCKGWGRIDVMLDSDGQFYLLEANTSPGMTSHSLVPMAARQAGMSFSQLVVR sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HHHT Kabs/Sand
chirality ++++ chirality
bends SSSS bends
turns TTTTT turns
5-turns 5-turns
3-turns >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns <<<< 4-turns
summary HHHht summary
sequence ILELAD sequence