Secondary structure calculation program - copyright by David Keith Smith, 1989
1k55A.pdb
1K55 HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 244
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 21 SER S e 0 0 999.9 106.3 173.2 999.9 999.9 999.9 0 0.0 31 -0.8 0 0.0 0 0.0 6 26
2 A 22 ILE I E E Aa - 31 0 -82.4 137.7 176.5 -166.2 999.9 132.2 0 0.0 0 0.0 0 0.0 0 0.0 9 37
3 A 23 THR T E E Aa - 32 0 -118.2 158.2 -179.9 -116.5 22.3 145.3 31 -1.8 33 -1.9 0 0.0 5 -0.6 8 29
4 A 24 GLU E E E Aa - 33 0 -99.7 123.4 177.8 -161.7 19.0 150.6 0 0.0 6 -0.8 0 0.0 0 0.0 9 30
5 A 25 ASN N e > T - 0 0 -104.8 103.2 -173.2 -171.6 4.0 151.7 33 -3.2 8 -1.0 3 -0.6 0 0.0 10 32
6 A 26 THR T G G > TS+ 0 0 -69.5 -27.7 -178.2 66.0 79.0 36.4 4 -0.8 9 -1.7 0 0.0 0 0.0 7 28
7 A 27 SER S G G > TS+ 0 0 -64.7 -26.9 -178.7 71.0 88.0 34.1 0 0.0 10 -1.9 0 0.0 0 0.0 6 28
8 A 28 TRP W G G < TS+ 0 0 -65.9 -12.3 177.7 71.8 82.3 50.7 5 -1.0 0 0.0 0 0.0 0 0.0 10 43
9 A 29 ASN N G h > X TS+ 0 0 -72.8 -20.3 -178.8 79.5 77.1 41.0 6 -1.7 13 -2.1 0 0.0 12 -1.2 9 40
10 A 30 LYS K H H > < TS+ 0 0 -52.1 -42.0 -179.6 53.5 89.8 26.0 7 -1.9 14 -1.2 0 0.0 0 0.0 7 30
11 A 31 GLU E H H 4 3 TS+ 0 0 -66.6 -26.4 178.6 44.8 112.3 38.8 0 0.0 0 0.0 0 0.0 0 0.0 10 38
12 A 32 PHE F H H 4 <>TS+ 0 0 -86.6 -30.8 -175.3 59.6 104.6 40.8 9 -1.2 17 -2.9 0 0.0 0 0.0 12 40
13 A 33 SER S H H < >5TS+ 0 0 -70.5 -33.1 -178.5 62.9 95.8 30.5 9 -2.1 16 -1.0 0 0.0 0 0.0 8 26
14 A 34 ALA A T h < 35TS+ 0 0 -59.2 -41.6 178.9 32.1 114.6 27.4 10 -1.2 0 0.0 0 0.0 0 0.0 7 21
15 A 35 GLU E T T 35TS- 0 0 -96.9 7.3 -176.5 -119.0 108.9 73.3 0 0.0 0 0.0 0 0.0 0 0.0 6 29
16 A 36 ALA A T T <5T + 0 0 52.5 45.9 179.8 167.8 56.3 22.6 13 -1.0 0 0.0 0 0.0 0 0.0 6 27
17 A 37 VAL V t TS- 0 0 -159.9 170.3 179.9 -94.1 80.7 165.0 25 -1.9 30 -1.5 0 0.0 0 0.0 11 38
28 A 48 SER S T T 3 TS+ 0 0 -73.8 0.1 178.6 75.2 112.2 61.9 0 0.0 0 0.0 0 0.0 0 0.0 12 42
29 A 49 LYS K T T 3 TS+ 0 0 -86.4 -5.0 -176.3 53.6 94.3 58.1 0 0.0 0 0.0 0 0.0 0 0.0 7 28
30 A 50 SER S S e < TS+ 0 0 -131.0 75.8 -174.6 146.2 78.8 131.5 27 -1.5 25 -1.8 0 0.0 0 0.0 10 29
31 A 51 CYS C E E AaC - 2 24 -118.6 156.7 175.0 -170.9 25.7 141.6 1 -0.8 3 -1.8 0 0.0 0 0.0 13 45
32 A 52 ALA A E E AaC + 3 23 -139.5 153.9 -179.0 177.6 8.7 164.3 23 -2.2 23 -2.5 0 0.0 0 0.0 11 44
33 A 53 THR T E E AaC - 4 22 -150.7 160.9 175.3 -128.2 37.4 167.4 3 -1.9 5 -3.2 0 0.0 0 0.0 15 55
34 A 54 ASN N S e S+ 0 0 -82.4 -17.7 -173.2 31.3 104.2 48.8 21 -1.0 0 0.0 0 0.0 0 0.0 13 44
35 A 55 ASP D h > T - 0 0 -150.2 99.4 -176.4 -171.7 59.6 142.9 0 0.0 39 -1.9 0 0.0 0 0.0 12 43
36 A 56 LEU L H H > TS+ 0 0 -60.1 -39.6 -179.0 51.3 89.8 31.1 0 0.0 40 -0.7 0 0.0 0 0.0 10 35
37 A 57 ALA A H H 4 > TS+ 0 0 -63.6 -59.4 -176.0 41.7 113.6 6.6 0 0.0 40 -1.3 0 0.0 0 0.0 6 32
38 A 58 ARG R H H 4 > TS+ 0 0 -63.3 -22.9 -176.9 78.0 98.3 40.9 0 0.0 41 -1.2 0 0.0 0 0.0 8 43
39 A 59 ALA A H H < 3 TS+ 0 0 -57.0 -36.4 177.7 32.4 105.1 34.2 35 -1.9 143 -2.2 0 0.0 0 0.0 13 53
40 A 60 SER S T h < < TS+ 0 0 -102.9 5.6 174.2 115.1 92.3 69.9 37 -1.3 0 0.0 36 -0.7 0 0.0 10 43
41 A 61 LYS K t < T - 0 0 -73.3 140.6 -170.8 -127.4 65.2 122.5 38 -1.2 0 0.0 0 0.0 0 0.0 9 37
42 A 62 GLU E + 0 0 -103.5 136.3 -179.0 172.3 31.3 139.2 0 0.0 0 0.0 0 0.0 0 0.0 9 50
43 A 63 TYR Y B B A - 140 0 -131.9 161.0 171.0 -76.1 45.8 153.0 140 -2.4 140 -2.4 0 0.0 0 0.0 9 57
44 A 64 LEU L - 0 0 -50.0 131.3 179.1 -143.4 39.0 110.6 0 0.0 0 0.0 0 0.0 0 0.0 14 59
45 A 65 PRO P g > T - 0 0 -73.5 -22.8 -176.1 -179.4 29.0 40.3 0 0.0 48 -1.9 0 0.0 0 0.0 14 66
46 A 66 ALA A G G > T - 0 0 51.7 -141.8 -174.6 -9.2 69.1 104.1 133 -2.0 49 -2.5 0 0.0 0 0.0 10 65
47 A 67 SER S G G 3 TS+ 0 0 -68.4 -5.8 171.3 80.3 120.9 54.1 0 0.0 0 0.0 0 0.0 0 0.0 13 58
48 A 68 THR T G G < T 0 0 -64.9 -19.3 177.3 999.9 999.9 38.8 45 -1.9 0 0.0 0 0.0 0 0.0 11 70
49!A 69 PHE F g < T 0 0 -66.4 999.9 999.9 999.9 999.9 48.4 46 -2.5 52 -2.6 0 0.0 0 0.0 8 78
50!A 71 ILE I h > T 0 0 999.9 -61.8 175.7 999.9 999.9 999.9 0 0.0 54 -1.9 0 0.0 0 0.0 9 77
51 A 72 PRO P H H > T + 0 0 -62.1 -36.4 -176.3 57.8 999.9 25.0 0 0.0 55 -3.0 0 0.0 0 0.0 7 79
52 A 73 ASN N H H > TS+ 0 0 -63.0 -40.3 178.2 47.4 107.3 23.5 49 -2.6 56 -2.9 0 0.0 0 0.0 10 78
53 A 74 ALA A H H > TS+ 0 0 -65.5 -42.4 177.9 48.8 112.5 22.0 0 0.0 57 -2.2 0 0.0 0 0.0 10 73
54 A 75 ILE I H H X TS+ 0 0 -61.7 -45.4 179.0 46.5 113.9 19.2 50 -1.9 58 -2.8 0 0.0 0 0.0 12 61
55 A 76 ILE I H H X TS+ 0 0 -64.8 -40.6 176.2 55.0 108.9 25.1 51 -3.0 59 -2.5 0 0.0 0 0.0 12 57
56 A 77 GLY G H H < >TS+ 0 0 -58.3 -42.8 176.5 42.5 113.1 25.1 52 -2.9 62 -2.4 0 0.0 61 -0.9 13 56
57 A 78 LEU L H H < >5TS+ 0 0 -68.2 -44.0 -176.2 52.7 112.8 24.1 53 -2.2 60 -0.9 0 0.0 0 0.0 12 49
58 A 79 GLU E H H < 35TS+ 0 0 -61.1 -41.1 -178.8 43.5 113.0 30.4 54 -2.8 0 0.0 0 0.0 0 0.0 11 44
59 A 80 THR T T h < 35TS- 0 0 -82.4 -7.3 -178.4 -115.7 113.1 60.6 55 -2.5 0 0.0 0 0.0 0 0.0 8 37
60 A 81 GLY G T T <5TS+ 0 0 84.4 -0.9 174.9 120.4 83.9 63.3 57 -0.9 0 0.0 0 0.0 0 0.0 7 32
61 A 82 VAL V S t TS- 0 0 -172.5 -174.1 -174.3 -66.6 71.5 157.9 0 0.0 67 -1.6 0 0.0 0 0.0 6 36
65 A 86 GLU E T T 3 TS+ 0 0 -69.8 -11.2 -179.0 59.9 124.4 54.8 0 0.0 0 0.0 0 0.0 0 0.0 9 38
66 A 87 HIS H T T 3 TS+ 0 0 -100.7 7.9 173.8 129.3 71.3 69.7 0 0.0 0 0.0 0 0.0 0 0.0 7 28
67 A 88 GLN Q e < T - 0 0 -60.4 132.6 175.4 -147.2 48.5 110.8 64 -1.6 87 -0.7 0 0.0 0 0.0 9 32
68 A 89 VAL V E E BD - 86 0 -104.2 129.2 175.3 -147.2 1.9 154.0 0 0.0 70 -0.8 0 0.0 0 0.0 8 32
69 A 90 PHE F E E BD - 85 0 -95.0 102.4 -174.3 -148.0 22.8 151.1 85 -3.3 85 -2.3 0 0.0 0 0.0 9 42
70 A 91 A LYS K - 0 0 -78.2 140.7 174.8 -124.0 9.3 120.8 68 -0.8 0 0.0 0 0.0 0 0.0 7 30
71 A 92 TRP W - 0 0 -81.6 133.5 178.2 -149.0 8.5 134.2 0 0.0 0 0.0 0 0.0 0 0.0 9 30
72 A 93 ASP D - 0 0 -81.7 3.9 178.4 -112.6 41.6 68.9 0 0.0 0 0.0 0 0.0 0 0.0 4 19
73 A 94 GLY G S S S+ 0 0 80.5 0.2 -177.0 129.6 76.7 63.4 0 0.0 0 0.0 0 0.0 0 0.0 6 18
74 A 95 LYS K - 0 0 -91.8 147.5 -175.4 -82.2 69.6 126.1 0 0.0 0 0.0 0 0.0 0 0.0 6 18
75 A 96 PRO P - 0 0 -54.3 138.3 173.2 -170.9 45.2 99.0 0 0.0 0 0.0 0 0.0 0 0.0 5 18
76 A 97 ARG R - 0 0 -121.7 163.7 -171.8 -109.4 35.1 147.6 0 0.0 0 0.0 0 0.0 0 0.0 8 26
77 A 98 ALA A S S S+ 0 0 -70.1 -24.2 179.8 41.0 103.0 41.2 0 0.0 0 0.0 0 0.0 0 0.0 5 23
78 A 99 A MET M S g > TS- 0 0 -126.8 135.4 179.4 -140.0 72.5 168.0 0 0.0 81 -1.6 0 0.0 0 0.0 6 25
79 A 100 LYS K G G > TS+ 0 0 -60.4 -32.0 179.6 67.2 102.2 30.7 0 0.0 82 -2.0 0 0.0 0 0.0 6 22
80 A 101 GLN Q G G 3 TS+ 0 0 -63.2 -17.2 179.2 52.9 98.5 45.9 0 0.0 0 0.0 0 0.0 0 0.0 6 27
81 A 102 TRP W G G < TS+ 0 0 -93.3 -8.8 -175.9 96.8 81.6 60.4 78 -1.6 83 -1.8 0 0.0 0 0.0 11 34
82 A 103 GLU E S g < TS+ 0 0 -85.7 67.7 -179.0 62.1 75.7 117.5 79 -2.0 0 0.0 0 0.0 0 0.0 11 28
83 A 104 ARG R S S S- 0 0 -172.8 161.6 170.7 -72.9 96.3 163.6 81 -1.8 0 0.0 0 0.0 0 0.0 8 30
84 A 105 ASP D - 0 0 -63.4 140.9 -177.3 -167.4 54.8 118.0 0 0.0 0 0.0 0 0.0 0 0.0 8 32
85 A 106 LEU L E E BD - 69 0 -135.8 144.6 170.0 -135.0 18.9 167.9 69 -2.3 69 -3.3 0 0.0 0 0.0 12 37
86 A 107 THR T E E >BD T - 68 0 -81.0 176.1 177.3 -97.5 43.2 112.0 0 0.0 90 -2.8 0 0.0 0 0.0 11 38
87 A 108 LEU L H H > TS+ 0 0 -60.1 -47.5 178.5 45.8 128.3 17.9 67 -0.7 91 -2.1 0 0.0 0 0.0 12 52
88 A 109 ARG R H H > TS+ 0 0 -60.4 -45.9 -178.9 50.4 112.9 21.1 0 0.0 92 -3.0 0 0.0 0 0.0 12 50
89 A 110 GLY G H H > TS+ 0 0 -59.8 -44.6 -179.7 51.0 108.9 21.9 0 0.0 93 -2.5 0 0.0 0 0.0 9 44
90 A 111 ALA A H H < >TS+ 0 0 -62.3 -39.2 176.6 44.5 114.1 29.2 86 -2.8 95 -2.5 0 0.0 0 0.0 12 57
91 A 112 ILE I H H < >5TS+ 0 0 -66.6 -48.0 -171.8 48.8 114.4 17.7 87 -2.1 94 -0.9 0 0.0 0 0.0 11 59
92 A 113 GLN Q H H < 35TS+ 0 0 -68.2 -33.1 175.5 39.0 117.4 36.0 88 -3.0 0 0.0 0 0.0 0 0.0 10 49
93 A 114 VAL V T h < 35TS- 0 0 -93.6 2.6 176.9 -124.8 109.8 65.1 89 -2.5 0 0.0 0 0.0 0 0.0 8 41
94 A 115 SER S T T <5T - 0 0 56.5 51.4 -177.5 -168.1 31.8 23.6 91 -0.9 96 -1.9 0 0.0 0 0.0 7 54
95 A 116 ALA A h > > 3 TS+ 0 0 -46.3 -51.1 -175.8 57.5 76.3 31.9 94 -1.9 100 -2.4 0 0.0 0 0.0 7 54
97 A 118 PRO P H H > 3 TS+ 0 0 -59.0 -31.3 176.0 54.2 103.6 33.4 0 0.0 101 -1.8 0 0.0 0 0.0 7 48
98 A 119 VAL V H H > < TS+ 0 0 -62.8 -44.2 -177.2 42.4 113.2 19.6 95 -1.1 102 -1.9 0 0.0 0 0.0 9 54
99 A 120 PHE F H H X TS+ 0 0 -79.1 -24.5 170.7 60.4 107.3 38.9 95 -1.3 103 -2.5 0 0.0 0 0.0 11 57
100 A 121 GLN Q H H X TS+ 0 0 -63.1 -42.2 179.4 45.9 107.9 20.5 96 -2.4 104 -2.1 0 0.0 0 0.0 11 46
101 A 122 GLN Q H H X TS+ 0 0 -69.4 -37.6 174.3 52.8 110.8 23.9 97 -1.8 105 -2.0 0 0.0 0 0.0 9 44
102 A 123 ILE I H H X TS+ 0 0 -58.5 -46.4 -176.9 50.1 109.3 17.1 98 -1.9 106 -2.5 0 0.0 0 0.0 12 49
103 A 124 ALA A H H X TS+ 0 0 -61.9 -42.0 177.1 52.4 108.0 26.8 99 -2.5 107 -2.8 0 0.0 0 0.0 13 50
104 A 125 ARG R H H < TS+ 0 0 -57.8 -43.2 -179.0 46.4 111.8 24.2 100 -2.1 0 0.0 0 0.0 0 0.0 10 34
105 A 126 GLU E H H < TS+ 0 0 -71.3 -35.9 174.2 50.3 111.8 31.5 101 -2.0 0 0.0 0 0.0 0 0.0 7 33
106 A 127 VAL V H H < TS- 0 0 -62.0 -48.6 179.6 -159.1 103.2 19.1 102 -2.5 0 0.0 0 0.0 0 0.0 12 36
107 A 128 GLY G h X T - 0 0 83.4 159.6 -174.7 -75.4 27.7 81.2 103 -2.8 111 -2.5 0 0.0 0 0.0 9 37
108 A 129 GLU E H H > TS+ 0 0 -59.0 -44.6 -174.3 53.1 123.4 30.4 0 0.0 112 -2.5 0 0.0 0 0.0 9 35
109 A 130 VAL V H H > TS+ 0 0 -63.6 -48.2 179.5 39.1 115.5 17.2 0 0.0 113 -1.9 0 0.0 0 0.0 6 28
110 A 131 ARG R H H > TS+ 0 0 -68.3 -39.5 179.1 54.6 114.2 25.1 0 0.0 114 -2.4 0 0.0 0 0.0 8 36
111 A 132 MET M H H X TS+ 0 0 -58.1 -45.6 -178.7 48.4 109.1 22.6 107 -2.5 115 -2.4 0 0.0 0 0.0 11 50
112 A 133 GLN Q H H X TS+ 0 0 -61.0 -43.3 -178.3 52.6 110.1 21.9 108 -2.5 116 -1.8 0 0.0 0 0.0 10 41
113 A 134 LYS K H H X TS+ 0 0 -60.6 -46.3 -177.6 44.2 112.0 21.9 109 -1.9 117 -2.2 0 0.0 0 0.0 8 32
114 A 135 TYR Y H H X TS+ 0 0 -72.0 -35.6 178.7 53.8 109.8 27.6 110 -2.4 118 -2.5 0 0.0 0 0.0 10 46
115 A 136 LEU L H H < >TS+ 0 0 -67.9 -29.2 174.5 50.7 109.4 32.5 111 -2.4 120 -2.4 0 0.0 0 0.0 11 50
116 A 137 LYS K H H < >5TS+ 0 0 -69.1 -45.5 176.9 48.0 111.1 19.6 112 -1.8 119 -1.2 0 0.0 0 0.0 9 30
117 A 138 LYS K H H < 35TS+ 0 0 -58.7 -41.1 -178.3 46.1 114.8 29.2 113 -2.2 0 0.0 0 0.0 0 0.0 9 33
118 A 139 PHE F T h < 35TS- 0 0 -80.6 -3.3 -175.7 -129.7 104.0 62.5 114 -2.5 0 0.0 0 0.0 0 0.0 9 47
119 A 140 SER S T T <5T - 0 0 50.7 51.9 -173.3 -176.7 39.7 21.1 116 -1.2 121 -1.3 0 0.0 0 0.0 8 42
120 A 141 TYR Y t > > T - 0 0 106.4 134.5 -173.2 -104.4 57.6 80.3 0 0.0 131 -1.9 0 0.0 132 -1.3 8 29
129 A 150 ILE I T T 4 3 TS+ 0 0 -63.9 -23.8 -179.3 45.8 120.5 43.8 0 0.0 0 0.0 0 0.0 0 0.0 12 40
130 A 151 ASP D T T 4 3 TS+ 0 0 -102.8 10.5 180.0 31.6 122.6 74.9 0 0.0 0 0.0 0 0.0 0 0.0 9 40
131 A 152 LYS K T T > X TS+ 0 0 -146.7 7.9 -174.5 108.3 76.1 65.6 128 -1.9 135 -2.9 0 0.0 134 -1.3 10 42
132 A 153 PHE F T T < 3 TS+ 0 0 -63.7 -30.5 -178.4 44.1 88.8 34.1 128 -1.3 138 -1.2 0 0.0 0 0.0 14 46
133 A 154 TRP W T T 4 3 TS+ 0 0 -88.6 -8.9 -175.6 42.8 119.7 55.7 0 0.0 46 -2.0 0 0.0 0 0.0 14 59
134 A 155 LEU L T T 4 < TS- 0 0 -103.0 -45.9 -176.7 -9.0 141.0 37.3 131 -1.3 0 0.0 0 0.0 0 0.0 10 48
135 A 156 GLU E S t < TS+ 0 0 -139.9 5.0 -176.4 88.2 113.0 72.5 131 -2.9 0 0.0 0 0.0 0 0.0 9 38
136 A 157 GLY G S S S- 0 0 -92.0 -147.8 -172.4 -74.7 91.4 76.9 0 0.0 0 0.0 0 0.0 0 0.0 12 35
137 A 158 GLN Q S S S+ 0 0 -98.8 -0.3 -177.1 119.6 80.5 66.1 126 -1.8 0 0.0 0 0.0 0 0.0 11 33
138 A 159 LEU L + 0 0 -74.7 137.6 -178.5 177.0 36.8 118.9 132 -1.2 0 0.0 0 0.0 0 0.0 15 47
139 A 160 ARG R + 0 0 -141.5 140.9 176.0 173.9 9.0 174.8 0 0.0 122 -2.6 0 0.0 0 0.0 13 49
140 A 161 ILE I B B A - 43 0 -146.1 145.5 178.2 -133.1 20.8 173.8 43 -2.4 43 -2.4 0 0.0 0 0.0 14 56
141 A 162 SER S h > T - 0 0 -93.6 168.5 176.9 -111.3 26.9 119.7 0 0.0 145 -2.1 0 0.0 0 0.0 12 56
142 A 163 ALA A H H > TS+ 0 0 -62.8 -42.1 177.7 53.8 119.1 26.0 0 0.0 146 -2.1 0 0.0 0 0.0 16 64
143 A 164 VAL V H H > TS+ 0 0 -60.2 -41.0 178.9 48.6 108.9 21.1 39 -2.2 147 -2.2 0 0.0 0 0.0 10 60
144 A 165 ASN N H H > TS+ 0 0 -68.2 -36.1 174.5 56.4 107.0 29.1 0 0.0 148 -2.7 0 0.0 0 0.0 11 61
145 A 166 GLN Q H H X TS+ 0 0 -58.2 -46.3 -180.0 47.4 108.3 19.5 141 -2.1 149 -2.7 0 0.0 0 0.0 11 66
146 A 167 VAL V H H X TS+ 0 0 -64.8 -39.5 176.6 50.5 111.5 23.7 142 -2.1 150 -2.3 0 0.0 0 0.0 15 64
147 A 168 GLU E H H X TS+ 0 0 -60.4 -46.6 178.9 46.2 113.1 18.5 143 -2.2 151 -2.0 0 0.0 0 0.0 9 54
148 A 169 PHE F H H X TS+ 0 0 -61.4 -45.3 -179.4 48.9 113.1 25.1 144 -2.7 152 -2.1 0 0.0 0 0.0 12 61
149 A 170 LEU L H H X TS+ 0 0 -65.9 -37.1 176.6 54.2 108.1 30.4 145 -2.7 153 -2.9 0 0.0 0 0.0 11 68
150 A 171 GLU E H H X TS+ 0 0 -62.5 -43.7 174.0 50.9 107.6 20.9 146 -2.3 154 -2.3 0 0.0 0 0.0 11 51
151 A 172 SER S H H < >TS+ 0 0 -55.7 -47.7 179.0 47.2 111.9 21.8 147 -2.0 156 -2.9 0 0.0 157 -0.6 10 45
152 A 173 LEU L H H < >5TS+ 0 0 -61.4 -47.0 177.2 52.8 109.3 21.1 148 -2.1 155 -1.4 0 0.0 0 0.0 11 58
153 A 174 TYR Y H H < 35TS+ 0 0 -52.4 -41.6 -177.3 43.3 114.6 25.2 149 -2.9 0 0.0 0 0.0 0 0.0 8 52
154 A 175 LEU L T h < 35TS- 0 0 -87.5 1.2 -177.1 -119.9 111.3 66.6 150 -2.3 0 0.0 0 0.0 0 0.0 6 36
155 A 176 ASN N T T <5TS+ 0 0 61.6 29.1 -177.2 130.3 75.3 40.6 152 -1.4 0 0.0 0 0.0 0 0.0 9 30
156 A 177 LYS K t T - 0 0 -61.6 151.2 175.9 -125.6 36.5 105.5 0 0.0 164 -2.0 0 0.0 0 0.0 7 33
161 A 182 LYS K H H > TS+ 0 0 -61.6 -39.4 -179.4 58.1 112.1 23.9 0 0.0 165 -2.7 0 0.0 0 0.0 7 27
162 A 183 GLU E H H > TS+ 0 0 -56.3 -46.7 -176.6 46.2 106.7 23.4 0 0.0 166 -2.3 0 0.0 0 0.0 6 31
163 A 184 ASN N H H > TS+ 0 0 -69.3 -34.3 174.2 51.5 111.5 27.3 0 0.0 167 -2.1 0 0.0 0 0.0 11 41
164 A 185 GLN Q H H X TS+ 0 0 -64.3 -43.2 178.5 48.7 110.9 21.7 160 -2.0 168 -2.5 0 0.0 0 0.0 13 44
165 A 186 LEU L H H X TS+ 0 0 -64.1 -40.6 177.4 53.6 108.6 28.2 161 -2.7 169 -2.2 0 0.0 0 0.0 9 37
166 A 187 ILE I H H X TS+ 0 0 -58.7 -49.0 -178.2 44.8 111.5 18.4 162 -2.3 170 -1.7 0 0.0 0 0.0 9 42
167 A 188 VAL V H H X TS+ 0 0 -66.6 -37.1 178.4 57.1 109.3 25.5 163 -2.1 171 -0.9 0 0.0 0 0.0 12 57
168 A 189 LYS K H H < > TS+ 0 0 -61.1 -44.0 -179.8 48.1 106.1 19.7 164 -2.5 171 -1.3 0 0.0 0 0.0 11 54
169 A 190 GLU E H H < > TS+ 0 0 -64.6 -32.4 179.4 58.8 106.8 27.3 165 -2.2 172 -1.3 0 0.0 0 0.0 9 42
170 A 191 ALA A H H < 3 TS+ 0 0 -65.4 -21.2 -178.0 53.6 103.6 44.4 166 -1.7 0 0.0 0 0.0 0 0.0 11 51
171 A 192 LEU L T h < < TS+ 0 0 -94.4 -2.6 179.2 122.2 75.3 62.8 168 -1.3 183 -2.3 167 -0.9 0 0.0 12 50
172 A 193 VAL V E E AE < T + 182 0 -62.5 129.0 178.7 158.8 23.6 115.4 169 -1.3 0 0.0 0 0.0 0 0.0 11 41
173 A 194 THR T E E A* + 0 0 -126.7 -17.1 176.2 32.2 62.3 57.5 181 -2.8 0 0.0 0 0.0 0 0.0 8 36
174 A 195 GLU E E E AE - 181 0 -143.1 133.2 -176.5 -177.4 66.7 169.0 181 -1.3 181 -2.8 0 0.0 0 0.0 8 31
175 A 196 ALA A E E AE + 180 0 -139.5 132.7 173.8 145.6 15.1 175.3 0 0.0 0 0.0 0 0.0 0 0.0 8 24
176 A 197 ALA A E E AE > T - 179 0 -150.8 166.7 -176.7 -89.8 61.8 155.7 179 -2.1 179 -1.2 0 0.0 0 0.0 7 18
177 A 198 PRO P T T 3 TS+ 0 0 -53.8 -37.9 -179.0 16.2 125.0 31.5 0 0.0 0 0.0 0 0.0 0 0.0 5 17
178 A 199 GLU E T e 3 TS+ 0 0 -126.5 30.8 178.8 67.1 121.2 90.6 0 0.0 208 -2.6 0 0.0 0 0.0 8 22
179 A 200 TYR Y E E AEF< T + 176 207 -152.3 125.7 -175.7 168.8 52.7 159.3 176 -1.2 176 -2.1 0 0.0 0 0.0 13 28
180 A 201 LEU L E E AEF - 175 206 -144.1 130.5 178.7 -164.1 12.2 172.2 206 -2.4 206 -3.1 0 0.0 0 0.0 13 34
181 A 202 VAL V E E AEF - 174 205 -119.4 131.7 170.3 -171.3 4.7 162.8 174 -2.8 173 -2.8 0 0.0 174 -1.3 12 47
182 A 203 HIS H E E AEF + 172 204 -112.3 126.6 -176.7 150.9 30.2 168.8 204 -2.5 204 -2.5 0 0.0 0 0.0 13 55
183 A 204 SER S E E A F - 0 203 -156.6 163.3 177.8 -160.7 31.6 173.5 171 -2.3 0 0.0 0 0.0 0 0.0 11 61
184 A 205 LYS K E E A F - 0 202 -149.2 133.8 174.1 -147.7 13.0 167.2 202 -2.4 202 -2.3 0 0.0 0 0.0 12 61
185 A 206 THR T E E A F - 0 201 -92.9 161.7 171.1 -169.2 11.3 123.8 0 0.0 0 0.0 0 0.0 0 0.0 11 63
186 A 207 GLY G E E A F + 0 200 -146.6 152.7 178.6 176.6 10.4 169.0 200 -1.9 200 -2.6 0 0.0 0 0.0 12 59
187 A 208 PHE F E E A F - 0 199 -156.3 114.1 -175.3 -170.6 9.8 147.8 0 0.0 0 0.0 0 0.0 0 0.0 10 55
188 A 209 SER S e - 0 0 -82.9 -16.9 -173.7 -93.1 55.7 44.3 198 -2.8 0 0.0 0 0.0 0 0.0 13 48
189 A 210 GLY G - 0 0 127.0 -176.1 -174.2 -72.6 42.8 141.0 0 0.0 0 0.0 0 0.0 0 0.0 10 42
190 A 211 A VAL V - 0 0 -98.2 -3.8 -178.2 -176.2 54.1 59.3 0 0.0 0 0.0 0 0.0 0 0.0 11 33
191 A 212 GLY G - 0 0 43.1 -129.5 178.4 -58.9 45.2 99.1 0 0.0 0 0.0 0 0.0 0 0.0 9 27
192 A 213 THR T - 0 0 -137.0 172.9 178.8 -95.6 46.9 149.3 195 -2.2 0 0.0 0 0.0 0 0.0 8 19
193 A 214 GLU E S S S+ 0 0 -57.5 -40.2 -179.0 39.1 127.7 28.1 0 0.0 0 0.0 0 0.0 0 0.0 6 19
194 A 215 SER S S S S+ 0 0 -82.3 -28.2 178.5 28.9 130.6 42.1 0 0.0 0 0.0 0 0.0 0 0.0 4 14
195 A 216 ASN N S S S- 0 0 -133.4 80.3 -174.1 -171.9 87.2 134.2 0 0.0 192 -2.2 0 0.0 0 0.0 6 20
196 A 217 PRO P - 0 0 -73.1 165.4 174.7 -111.7 21.0 100.6 0 0.0 0 0.0 0 0.0 0 0.0 11 33
197 A 218 GLY G E E A G - 0 220 -79.7 -175.1 178.2 -117.5 30.4 96.2 220 -2.3 220 -2.1 0 0.0 0 0.0 13 44
198 A 219 VAL V E E A G - 0 219 -130.6 144.4 174.1 -163.0 18.4 168.5 0 0.0 188 -2.8 0 0.0 0 0.0 15 59
199 A 220 ALA A E E AFG - 187 218 -124.7 144.8 -177.0 -169.7 13.9 166.1 218 -2.1 218 -1.8 0 0.0 0 0.0 15 62
200 A 221 TRP W E E AFG - 186 217 -130.9 154.0 160.9 -175.7 22.4 157.1 186 -2.6 186 -1.9 0 0.0 0 0.0 14 69
201 A 222 TRP W E E AFG + 185 216 -143.1 124.2 -178.3 167.1 23.7 154.6 216 -2.0 216 -2.3 0 0.0 0 0.0 14 68
202 A 223 VAL V E E AFG + 184 215 -134.3 154.6 178.4 90.4 17.5 160.2 184 -2.3 184 -2.4 0 0.0 0 0.0 13 74
203 A 224 GLY G E E AFG - 183 214 163.0 -156.7 174.7 -84.5 55.9 175.2 214 -2.4 214 -2.9 0 0.0 0 0.0 13 68
204 A 225 TRP W E E AFG - 182 213 -150.6 153.5 -179.7 -145.0 19.7 170.1 182 -2.5 182 -2.5 0 0.0 0 0.0 12 66
205 A 226 VAL V E E AFG - 181 212 -120.5 131.3 173.2 -159.4 4.8 169.8 212 -2.6 212 -2.5 0 0.0 207 -0.6 12 56
206 A 227 GLU E E E AFG + 180 211 -109.2 117.8 178.4 176.9 15.2 162.9 180 -3.1 180 -2.4 0 0.0 0 0.0 12 44
207 A 228 LYS K E E AFG> T - 179 210 -122.8 121.3 -175.4 -46.8 63.5 170.8 210 -1.9 210 -2.7 205 -0.6 0 0.0 12 33
208 A 229 GLU E T e 3 TS- 0 0 51.5 -125.2 -179.9 -25.7 123.8 111.2 178 -2.6 0 0.0 0 0.0 0 0.0 6 22
209 A 230 THR T T T 3 TS+ 0 0 -103.1 15.5 176.9 91.9 121.2 74.7 0 0.0 0 0.0 0 0.0 0 0.0 5 23
210 A 231 GLU E E E A G< T - 0 207 -104.7 156.8 176.4 -155.1 57.6 137.2 207 -2.7 207 -1.9 0 0.0 0 0.0 8 32
211 A 232 VAL V E E A G - 0 206 -132.1 139.4 179.7 -167.0 4.3 172.4 0 0.0 26 -3.4 0 0.0 0 0.0 11 43
212 A 233 TYR Y E E ABG - 25 205 -127.2 127.3 177.6 -154.3 7.8 175.0 205 -2.5 205 -2.6 0 0.0 0 0.0 12 57
213 A 234 PHE F E E ABG - 24 204 -100.0 139.7 -179.4 -177.5 21.0 144.4 24 -2.4 24 -2.7 0 0.0 0 0.0 16 61
214 A 235 PHE F E E ABG - 23 203 -142.2 152.9 173.2 -178.9 20.6 168.6 203 -2.9 203 -2.4 0 0.0 0 0.0 12 72
215 A 236 ALA A E E ABG - 22 202 -147.9 130.8 179.9 -179.1 8.8 162.3 22 -1.9 22 -2.5 0 0.0 0 0.0 15 76
216 A 237 PHE F E E ABG + 21 201 -127.8 135.4 165.7 169.4 4.6 171.4 201 -2.3 201 -2.0 0 0.0 0 0.0 14 76
217 A 238 ASN N E E ABG + 20 200 -139.2 158.3 177.4 178.3 4.2 168.2 20 -2.1 20 -2.6 0 0.0 0 0.0 13 71
218 A 239 MET M E E ABG - 19 199 -151.0 154.7 173.8 -105.4 34.4 172.6 199 -1.8 199 -2.1 0 0.0 0 0.0 12 67
219 A 240 ASP D E E A G - 0 198 -76.4 141.9 -179.4 -171.7 41.3 126.8 18 -2.7 0 0.0 0 0.0 0 0.0 11 53
220 A 241 ILE I E E A G + 0 197 -143.8 126.2 177.1 156.5 30.4 167.5 197 -2.1 197 -2.3 0 0.0 0 0.0 14 43
221 A 242 ASP D S S S+ 0 0 -124.7 3.0 179.9 57.2 73.0 70.9 0 0.0 0 0.0 0 0.0 0 0.0 11 31
222 A 243 ASN N g > T - 0 0 -139.7 118.0 -176.3 -148.0 69.0 166.4 0 0.0 225 -2.1 0 0.0 0 0.0 7 28
223 A 244 GLU E G G > TS+ 0 0 -58.5 -24.0 179.5 73.1 93.5 44.1 0 0.0 226 -1.5 0 0.0 0 0.0 8 27
224 A 245 SER S G G 3 TS+ 0 0 -63.9 -20.1 -177.6 58.3 91.1 43.6 0 0.0 0 0.0 0 0.0 0 0.0 5 24
225 A 246 LYS K G G X TS+ 0 0 -89.0 -2.1 -174.7 105.1 74.4 62.9 222 -2.1 228 -1.8 0 0.0 0 0.0 7 39
226 A 247 LEU L G G X T + 0 0 -50.8 -44.3 -179.4 64.0 66.3 32.5 223 -1.5 229 -2.3 0 0.0 0 0.0 9 40
227 A 248 PRO P G h > > TS+ 0 0 -55.9 -23.3 178.0 76.6 85.5 44.8 0 0.0 231 -2.2 0 0.0 230 -1.8 7 35
228 A 249 LEU L H H > < TS+ 0 0 -58.7 -23.4 179.1 73.7 77.9 42.7 225 -1.8 232 -2.1 0 0.0 0 0.0 7 44
229 A 250 ARG R H H 4 < TS+ 0 0 -64.4 -24.0 173.4 25.6 112.4 39.6 226 -2.3 0 0.0 0 0.0 0 0.0 14 54
230 A 251 LYS K H H > < TS+ 0 0 -100.8 -37.2 -172.2 53.6 121.5 41.0 227 -1.8 234 -2.1 0 0.0 0 0.0 8 50
231 A 252 SER S H H X TS+ 0 0 -73.5 -36.0 178.1 51.5 105.4 29.1 227 -2.2 235 -2.7 0 0.0 0 0.0 8 42
232 A 253 ILE I H H X TS+ 0 0 -64.7 -53.2 176.2 41.1 115.6 12.8 228 -2.1 236 -2.3 0 0.0 0 0.0 10 49
233 A 254 PRO P H H > TS+ 0 0 -58.7 -40.2 179.7 52.6 114.9 26.9 0 0.0 237 -2.9 0 0.0 0 0.0 10 62
234 A 255 THR T H H X TS+ 0 0 -63.1 -46.2 176.7 48.9 109.0 20.5 230 -2.1 238 -3.0 0 0.0 0 0.0 8 50
235 A 256 LYS K H H X TS+ 0 0 -59.1 -41.6 179.1 47.5 113.7 24.8 231 -2.7 239 -2.0 0 0.0 0 0.0 9 37
236 A 257 ILE I H H X TS+ 0 0 -65.3 -47.2 179.6 46.0 114.2 18.5 232 -2.3 240 -0.8 0 0.0 0 0.0 10 48
237 A 258 MET M H H < >>TS+ 0 0 -61.4 -42.0 -179.5 51.5 111.2 24.7 233 -2.9 242 -2.6 0 0.0 240 -0.9 10 51
238 A 259 GLU E H H < >5TS+ 0 0 -64.3 -35.9 179.3 57.6 104.7 26.7 234 -3.0 241 -2.0 0 0.0 0 0.0 9 28
239 A 260 SER S H H < 35TS+ 0 0 -66.2 -20.4 177.4 51.3 105.7 43.9 235 -2.0 0 0.0 0 0.0 0 0.0 7 26
240 A 261 GLU E T h < <5TS- 0 0 -95.4 5.7 179.6 -103.0 126.4 72.4 237 -0.9 0 0.0 236 -0.8 0 0.0 6 34
241 A 262 GLY G T T <5TS+ 0 0 84.2 9.9 179.0 139.0 77.4 56.0 238 -2.0 243 -1.2 0 0.0 0 0.0 6 24
242 A 263 ILE I t 5555< >5555< >5555< 5-turns
3-turns >>>33< >33< >>3<< >>3<< >33< >33< >>3<< >33<>33< 3-turns
bridge-2 CCC CCC bridge-2
bridge-1 aaa BBBBBBB aaa A DD DD bridge-1
sheets AAA AAAAAAA AAA BB BB sheets
4-turns >>44<< >>44<< >>>>XX<<<< >>>><<<< >>>>XX 4-turns
summary eEEEeGGGhHHHHhTTteEEEEEEEetTTeEEEehHHHHht B gGGGghHHHHHHHHhTtS tTTeEE S SgGGGgS EEHHHHHHhThHHHHH summary
sequence SITENTSWNKEFSAEAVNGVFVLCKSSSKSCATNDLARASKEYLPASTFIPNAIIGLETGVIKNEHQVFKWDGKPRAMKQWERDLTLRGAIQVSAVPVFQ sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHH HHHHHHHHHHTT TT S TTTTTTSSS B HHHHHHHHHHHHTT SSS HHHHHHHHHHTEEEEETTEEEEEEEEE SSS EEEE Kabs/Sand
chirality +++++--++++++++++-----++++--+++++-+-+++--++++++++++++-++-+--+++++++++++++-+-+++--+---+------++------ chirality
bends SSSSSS SSSSSSSSSSS SS S SSSSSSSSS SSSSSSSSSSSSSS SSS SSSSSSSSSSS SS SSS bends
turns TTTTTTTTTTTTTTTTTTTTTTT TTTTTTTT TTTTTTTTTTTTTTTT TTTTTTTTTTTTT TTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33<>33< >33X33< >33< >>3<< >33< 3-turns
bridge-2 FFFFFFFFF GGGG bridge-2
bridge-1 A E*EEE EEEE FF bridge-1
sheets AAAAA AAAAAAAAA AAAA sheets
4-turns XXX<<>>XXXX<<<< >44><44< >>>>XXXXXX<<<< >>>>XXXX<<<< 4-turns
summary HHHHHHhHHHHHHHHHHhTtTTt StTTTTTTtSS BhHHHHHHHHHHHHhTtSSShHHHHHHHHHHhEEEEETeEEEEEEEEEe SSS EEEE summary
sequence QIAREVGEVRMQKYLKKFSYGNQNISGGIDKFWLEGQLRISAVNQVEFLESLYLNKLSASKENQLIVKEALVTEAAPEYLVHSKTGFSGVGTESNPGVAW sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EEEEEEETTEEEEEEEEEEES GGGGGHHHHHHHHHHHHTT Kabs/Sand
chirality ++---+--+------++--++-+++++++++++++++++-++ chirality
bends SS S SSS SSSSSSSSSSSSSSS bends
turns TTTT TTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >>3XX><<< >>3<< 3-turns
bridge-2 GGGGGGG GGGGGGGGGGG bridge-2
bridge-1 FFFFFFF BBBBBBB bridge-1
sheets AAAAAAA AAAAAAAAAAA sheets
4-turns >>4>XX>XXX<<<< 4-turns
summary EEEEEEEeTEEEEEEEEEEESgGGGGhHHHHHHHHHHHHhTt summary
sequence WVGWVEKETEVYFFAFNMDIDNESKLPLRKSIPTKIMESEGIIG sequence
210 220 230 240
Messages
chain break between 49(A 69 ) and 50(A 71 )