Secondary structure calculation program - copyright by David Keith Smith, 1989
1atlA.pdb
1ATL METALLOENDOPEPTIDASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 200
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 3 LEU L 0 0 999.9 119.1 179.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 27
2 A 4 PRO P - 0 0 -74.9 158.2 -179.5 -88.9 999.9 111.3 0 0.0 0 0.0 0 0.0 0 0.0 4 28
3 A 5 GLN Q - 0 0 -72.5 124.8 179.5 -177.4 51.6 120.9 0 0.0 0 0.0 0 0.0 0 0.0 8 30
4 A 6 ARG R E E Aa - 47 0 -123.6 154.7 -177.7 -152.8 12.7 155.3 46 -2.9 48 -2.4 0 0.0 0 0.0 11 43
5 A 7 TYR Y E E Aa - 48 0 -132.9 131.1 178.6 -157.8 1.0 173.6 196 -3.0 7 -0.5 0 0.0 0 0.0 13 48
6 A 8 ILE I E E Aa - 49 0 -110.5 124.6 178.3 -151.7 8.8 156.7 48 -2.6 50 -2.8 0 0.0 8 -1.0 12 57
7 A 9 GLU E E E Aa - 50 0 -95.5 98.3 -176.5 -166.2 29.1 150.5 5 -0.5 91 -2.4 0 0.0 92 -1.7 13 51
8 A 10 LEU L E E Aab - 51 92 -95.4 137.5 175.9 -167.0 18.8 137.4 50 -2.9 52 -2.9 6 -1.0 53 -1.1 14 65
9 A 11 VAL V E E Aab - 53 93 -120.5 126.9 178.3 -157.8 9.8 171.6 92 -2.1 94 -2.2 0 0.0 0 0.0 14 61
10 A 12 VAL V E E Aab - 54 94 -106.1 133.4 179.6 -161.4 3.1 156.6 53 -2.0 55 -2.6 0 0.0 0 0.0 13 66
11 A 13 VAL V E E Aab - 55 95 -116.4 121.2 179.8 -159.2 3.0 168.7 94 -2.6 96 -3.3 0 0.0 0 0.0 12 65
12 A 14 ALA A E E Aab - 56 96 -102.5 129.8 -179.2 -134.4 17.0 154.1 55 -2.8 57 -2.9 0 0.0 0 0.0 13 63
13 A 15 ASP D h > T - 0 0 -75.8 174.4 -178.7 -97.2 28.2 97.7 96 -2.3 17 -1.9 0 0.0 0 0.0 15 54
14 A 16 HIS H H H > TS+ 0 0 -62.8 -30.8 177.9 59.6 122.5 35.6 0 0.0 18 -2.5 0 0.0 0 0.0 13 38
15 A 17 ARG R H H > TS+ 0 0 -64.7 -38.4 178.3 47.9 105.0 28.8 0 0.0 19 -2.4 0 0.0 0 0.0 9 40
16 A 18 VAL V H H > TS+ 0 0 -67.1 -38.6 179.6 54.9 110.7 23.0 0 0.0 20 -1.6 0 0.0 0 0.0 12 47
17 A 19 PHE F H H < >TS+ 0 0 -57.2 -55.9 178.8 39.0 112.6 20.0 13 -1.9 22 -2.2 0 0.0 0 0.0 16 38
18 A 20 MET M H H < >5TS+ 0 0 -61.8 -42.1 179.3 63.1 109.5 26.5 14 -2.5 21 -1.9 0 0.0 0 0.0 8 27
19 A 21 LYS K H H < 35TS+ 0 0 -52.9 -36.5 -179.6 45.7 105.7 35.2 15 -2.4 0 0.0 0 0.0 0 0.0 8 33
20 A 22 TYR Y T h < >5TS- 0 0 -101.7 30.0 177.4 -100.3 122.7 92.7 16 -1.6 23 -1.4 0 0.0 0 0.0 9 31
21 A 23 ASN N T T <5T - 0 0 60.8 35.4 179.7 -68.5 68.2 35.0 18 -1.9 0 0.0 0 0.0 0 0.0 6 23
22 A 24 SER S T T 3 < T - 0 0 -98.7 103.0 -179.4 -173.3 31.9 143.9 20 -1.4 27 -1.4 0 0.0 0 0.0 8 25
24 A 26 LEU L H H > TS+ 0 0 -61.0 -41.0 -179.0 58.1 81.7 28.5 22 -0.8 28 -2.9 0 0.0 0 0.0 8 30
25 A 27 ASN N H H > TS+ 0 0 -57.2 -47.4 -179.5 49.5 103.9 26.4 0 0.0 29 -2.9 0 0.0 0 0.0 6 24
26 A 28 THR T H H > TS+ 0 0 -60.7 -42.0 179.5 46.8 114.4 24.3 0 0.0 30 -2.2 0 0.0 0 0.0 8 27
27 A 29 ILE I H H X TS+ 0 0 -66.0 -46.1 -179.5 49.5 112.0 21.2 23 -1.4 31 -2.4 0 0.0 0 0.0 10 45
28 A 30 ARG R H H X TS+ 0 0 -60.3 -42.3 -180.0 51.4 110.6 23.8 24 -2.9 32 -2.7 0 0.0 0 0.0 9 41
29 A 31 THR T H H X TS+ 0 0 -62.0 -45.4 178.2 49.1 109.1 23.3 25 -2.9 33 -2.4 0 0.0 0 0.0 8 35
30 A 32 ARG R H H X TS+ 0 0 -57.7 -50.7 -178.8 47.5 113.5 18.2 26 -2.2 34 -2.7 0 0.0 0 0.0 9 47
31 A 33 VAL V H H X TS+ 0 0 -60.4 -42.0 178.2 52.3 109.6 25.2 27 -2.4 35 -2.3 0 0.0 0 0.0 9 55
32 A 34 HIS H H H X TS+ 0 0 -60.9 -44.6 179.2 44.9 113.1 20.4 28 -2.7 36 -1.6 0 0.0 0 0.0 9 43
33 A 35 GLU E H H X TS+ 0 0 -65.9 -42.0 178.4 54.3 109.8 25.8 29 -2.4 37 -1.9 0 0.0 0 0.0 9 35
34 A 36 ILE I H H X TS+ 0 0 -57.3 -44.4 179.3 50.8 107.9 20.7 30 -2.7 38 -2.5 0 0.0 0 0.0 12 51
35 A 37 VAL V H H X TS+ 0 0 -62.9 -35.8 177.0 56.2 105.4 30.7 31 -2.3 39 -2.5 0 0.0 0 0.0 12 51
36 A 38 ASN N H H X TS+ 0 0 -60.9 -42.3 177.9 47.3 109.1 24.4 32 -1.6 40 -1.5 0 0.0 0 0.0 8 36
37 A 39 PHE F H H X TS+ 0 0 -62.9 -46.0 179.5 54.5 108.5 20.2 33 -1.9 41 -2.0 0 0.0 0 0.0 12 44
38 A 40 ILE I H H X TS+ 0 0 -53.3 -49.6 179.3 49.3 108.1 20.5 34 -2.5 42 -2.4 0 0.0 0 0.0 13 54
39 A 41 ASN N H H X TS+ 0 0 -59.7 -36.7 178.4 57.4 105.9 31.6 35 -2.5 43 -1.2 0 0.0 0 0.0 11 43
40 A 42 GLY G H H < TS+ 0 0 -61.4 -42.3 -179.9 42.4 111.0 23.1 36 -1.5 0 0.0 0 0.0 0 0.0 7 40
41 A 43 PHE F H H < > TS+ 0 0 -71.9 -40.2 -179.4 48.5 115.6 30.0 37 -2.0 44 -0.5 0 0.0 0 0.0 11 50
42 A 44 TYR Y H H < >>TS+ 0 0 -77.4 -10.3 179.5 94.5 84.0 54.0 38 -2.4 45 -2.2 0 0.0 47 -1.3 12 53
43 A 45 ARG R G h < >5TS+ 0 0 -47.9 -45.9 -179.5 52.8 82.5 26.6 39 -1.2 46 -1.7 0 0.0 0 0.0 9 34
44 A 46 SER S G T <5TS+ 0 0 -70.9 -8.1 179.0 53.2 107.4 53.1 41 -0.5 0 0.0 0 0.0 0 0.0 6 34
45 A 47 LEU L G T <5TS- 0 0 -106.0 6.2 -179.3 -118.3 111.3 70.9 42 -2.2 0 0.0 0 0.0 0 0.0 7 44
46 A 48 ASN N T e <5T + 0 0 59.4 37.2 178.1 132.2 69.9 32.3 43 -1.7 4 -2.9 0 0.0 0 0.0 10 33
47 A 49 ILE I E E Aa > TS- 0 0 -73.0 99.2 -177.3 -153.5 73.6 127.5 0 0.0 72 -1.9 0 0.0 71 -0.9 8 30
69 A 71 SER S H H > 3 TS+ 0 0 -46.4 -41.1 -180.0 53.5 87.2 38.2 67 -1.2 73 -2.4 0 0.0 0 0.0 12 38
70 A 72 SER S H H > 3 TS+ 0 0 -67.5 -36.1 179.0 49.0 108.5 28.6 0 0.0 74 -2.1 0 0.0 0 0.0 7 37
71 A 73 ASP D H H > < TS+ 0 0 -67.7 -43.2 179.6 47.3 113.2 22.6 68 -0.9 75 -2.2 0 0.0 0 0.0 8 33
72 A 74 THR T H H X TS+ 0 0 -63.7 -40.1 179.5 54.1 109.8 27.1 68 -1.9 76 -2.5 0 0.0 0 0.0 12 48
73 A 75 LEU L H H X TS+ 0 0 -61.8 -43.2 179.1 45.7 110.6 22.7 69 -2.4 77 -2.3 0 0.0 0 0.0 12 54
74 A 76 ASN N H H X TS+ 0 0 -67.5 -41.0 178.2 50.4 112.2 28.0 70 -2.1 78 -2.0 0 0.0 0 0.0 8 39
75 A 77 ALA A H H X TS+ 0 0 -62.8 -42.1 179.5 48.2 112.3 26.4 71 -2.2 79 -1.8 0 0.0 0 0.0 11 40
76 A 78 PHE F H H X TS+ 0 0 -66.3 -40.8 179.7 55.0 108.2 25.0 72 -2.5 80 -2.7 0 0.0 0 0.0 11 53
77 A 79 ALA A H H X TS+ 0 0 -57.5 -52.5 179.3 46.7 108.6 19.1 73 -2.3 81 -2.5 0 0.0 0 0.0 11 49
78 A 80 GLU E H H X TS+ 0 0 -55.3 -50.1 -179.9 47.6 114.6 20.8 74 -2.0 82 -2.9 0 0.0 0 0.0 9 34
79 A 81 TRP W H H X >TS+ 0 0 -60.6 -41.4 179.8 52.8 109.8 29.0 75 -1.8 83 -2.5 0 0.0 84 -1.3 10 42
80 A 82 ARG R H H < >TS+ 0 0 -61.4 -47.1 -179.2 41.7 114.7 18.7 76 -2.7 85 -3.5 0 0.0 0 0.0 12 51
81 A 83 GLU E H H < 5TS+ 0 0 -65.9 -49.7 -177.3 35.0 123.8 17.9 77 -2.5 0 0.0 0 0.0 0 0.0 11 36
82 A 84 THR T H H < 5TS+ 0 0 -79.4 -25.3 -177.1 13.6 134.9 40.8 78 -2.9 0 0.0 0 0.0 0 0.0 8 25
83 A 85 ASP D T h X 5TS+ 0 0 -114.5 -71.4 -177.0 36.2 125.9 39.1 79 -2.5 87 -1.5 0 0.0 0 0.0 8 30
84 A 86 LEU L H H > > T - 0 0 -63.9 145.9 -179.2 -109.0 43.5 111.8 0 0.0 113 -0.6 0 0.0 0 0.0 11 46
111 A 113 LEU L T T 3 TS- 0 0 -83.3 133.1 178.5 -6.8 87.7 127.7 0 0.0 0 0.0 0 0.0 0 0.0 10 45
112 A 114 GLY G T T 3 TS+ 0 0 53.3 52.0 -177.3 127.2 89.7 28.9 144 -3.0 0 0.0 0 0.0 0 0.0 10 45
113 A 115 THR T t X T + 0 0 -121.1 11.0 -178.9 149.0 21.4 76.6 110 -0.6 116 -2.5 0 0.0 0 0.0 12 50
114 A 116 MET M T T 3 TS+ 0 0 -52.5 130.5 -179.4 10.4 76.8 104.1 145 -1.9 0 0.0 0 0.0 0 0.0 12 57
115 A 117 CYS C T T 3 TS+ 0 0 81.7 -8.4 179.6 139.8 88.3 75.0 91 -0.9 0 0.0 0 0.0 0 0.0 12 49
116 A 118 ASP D t > < T - 0 0 -66.7 134.5 -179.4 -132.3 57.0 119.5 113 -2.5 120 -1.7 0 0.0 0 0.0 7 46
117 A 119 PRO P T T 4 TS+ 0 0 -56.8 -34.7 -178.9 22.2 101.7 34.7 0 0.0 0 0.0 0 0.0 0 0.0 8 42
118 A 120 LYS K T T 4 TS+ 0 0 -102.0 -36.8 -176.7 42.4 128.9 36.3 0 0.0 0 0.0 0 0.0 0 0.0 9 38
119 A 121 LEU L T T 4 TS+ 0 0 -96.7 1.1 178.7 103.7 73.7 67.8 0 0.0 121 -2.4 0 0.0 0 0.0 10 48
120 A 122 SER S S e < TS+ 0 0 -80.8 65.6 -175.8 98.2 71.4 113.4 116 -1.7 93 -2.0 0 0.0 0 0.0 14 60
121 A 123 ILE I E E Ac - 93 0 -144.8 171.2 178.4 -176.1 47.5 153.4 119 -2.4 0 0.0 0 0.0 0 0.0 16 63
122 A 124 GLY G E E Ac - 94 0 -165.0 160.4 178.2 -131.8 19.4 165.0 93 -1.3 95 -2.7 0 0.0 0 0.0 15 68
123 A 125 ILE I E E AcD - 95 108 -126.2 136.7 -179.2 -173.1 18.5 171.4 108 -2.7 108 -1.9 0 0.0 0 0.0 13 67
124 A 126 VAL V E E AcD - 96 107 -129.3 133.2 178.9 -138.0 17.4 173.8 95 -3.2 97 -2.5 0 0.0 0 0.0 14 70
125 A 127 GLN Q E E Ac - 97 0 -92.8 134.2 179.2 -123.9 21.7 142.2 106 -2.7 127 -2.4 0 0.0 0 0.0 13 62
126 A 128 ASP D e + 0 0 -74.8 83.3 -175.7 147.2 57.7 121.9 97 -3.0 0 0.0 0 0.0 0 0.0 10 56
127 A 129 HIS H + 0 0 -101.4 -5.9 -176.9 42.8 50.6 61.3 125 -2.4 0 0.0 0 0.0 0 0.0 7 44
128 A 130 SER S - 0 0 -148.9 139.9 179.5 -147.3 56.4 178.4 0 0.0 0 0.0 0 0.0 0 0.0 7 36
129 A 131 PRO P S S S+ 0 0 -80.5 -1.6 179.2 96.0 79.9 64.9 0 0.0 131 -0.8 0 0.0 0 0.0 6 32
130 A 132 ILE I h > T - 0 0 -93.0 111.4 -179.1 -154.4 66.4 146.1 0 0.0 134 -1.7 0 0.0 0 0.0 6 31
131 A 133 ASN N H H > TS+ 0 0 -53.6 -36.4 178.9 60.5 91.7 33.3 129 -0.8 135 -2.1 0 0.0 0 0.0 11 38
132 A 134 LEU L H H > TS+ 0 0 -57.1 -49.4 -179.2 45.8 105.5 20.8 0 0.0 136 -2.2 0 0.0 0 0.0 9 42
133 A 135 LEU L H H > TS+ 0 0 -64.3 -35.9 177.7 50.4 112.8 32.6 0 0.0 137 -2.0 0 0.0 0 0.0 9 47
134 A 136 MET M H H X TS+ 0 0 -70.0 -31.1 177.7 54.2 108.2 35.0 130 -1.7 138 -2.4 0 0.0 0 0.0 13 58
135 A 137 GLY G H H X TS+ 0 0 -66.8 -43.7 178.4 48.9 108.1 23.4 131 -2.1 139 -2.7 0 0.0 0 0.0 12 59
136 A 138 VAL V H H X TS+ 0 0 -60.7 -45.1 -179.7 50.8 111.1 22.2 132 -2.2 140 -2.2 0 0.0 0 0.0 12 62
137 A 139 THR T H H X TS+ 0 0 -59.4 -50.1 -179.2 41.4 114.6 20.3 133 -2.0 141 -2.0 0 0.0 0 0.0 12 66
138 A 140 MET M H H X TS+ 0 0 -67.8 -39.7 177.8 53.2 113.4 26.4 134 -2.4 142 -2.3 0 0.0 0 0.0 12 72
139 A 141 ALA A H H X TS+ 0 0 -61.0 -36.7 179.4 52.5 108.3 29.1 135 -2.7 143 -1.9 0 0.0 0 0.0 12 81
140 A 142 HIS H H H X TS+ 0 0 -65.8 -46.7 180.0 47.3 109.3 22.2 136 -2.2 144 -1.7 0 0.0 0 0.0 10 71
141 A 143 GLU E H H X TS+ 0 0 -65.0 -37.9 176.6 49.4 112.2 26.6 137 -2.0 145 -1.8 0 0.0 0 0.0 14 67
142 A 144 LEU L H H X TS+ 0 0 -65.3 -35.4 178.4 60.8 105.7 28.4 138 -2.3 146 -1.8 0 0.0 0 0.0 10 76
143 A 145 GLY G H H < >TS+ 0 0 -57.1 -45.4 178.1 49.2 102.4 25.6 139 -1.9 148 -2.4 0 0.0 0 0.0 11 76
144 A 146 HIS H H H < >5TS+ 0 0 -61.0 -42.7 179.6 54.5 107.7 22.8 140 -1.7 112 -3.0 0 0.0 147 -2.1 13 57
145 A 147 ASN N H H < 35TS+ 0 0 -59.0 -32.5 179.4 55.3 105.5 32.2 141 -1.8 114 -1.9 0 0.0 0 0.0 16 62
146 A 148 LEU L T h < 35TS- 0 0 -86.2 15.5 177.9 -96.4 128.9 80.8 142 -1.8 0 0.0 0 0.0 0 0.0 12 66
147 A 149 GLY G T T <5TS+ 0 0 83.9 10.2 179.9 145.8 74.3 55.4 144 -2.1 0 0.0 0 0.0 0 0.0 12 49
148 A 150 MET M t T - 0 0 -67.8 149.9 -178.2 -110.6 50.0 112.9 0 0.0 155 -2.4 0 0.0 0 0.0 7 25
153 A 155 LYS K T T 3 TS+ 0 0 -59.4 -13.4 179.9 43.4 118.8 50.7 0 0.0 0 0.0 0 0.0 0 0.0 7 25
154 A 156 ASP D T T 3 TS+ 0 0 -117.9 19.7 -179.5 150.2 81.8 81.2 0 0.0 0 0.0 0 0.0 0 0.0 6 26
155 A 157 CYS C e < T + 0 0 -57.5 132.4 177.9 174.1 16.9 103.1 152 -2.4 162 -1.4 0 0.0 0 0.0 10 32
156 A 158 LEU L E E BE - 161 0 -140.1 142.1 176.3 -155.4 25.6 170.7 0 0.0 158 -0.6 0 0.0 0 0.0 9 30
157 A 159 ARG R E E BE > TS- 160 0 -118.1 97.4 -177.4 -50.1 77.5 159.2 160 -3.3 160 -2.3 0 0.0 0 0.0 10 28
158 A 160 GLY G T T 3 TS- 0 0 73.0 -126.0 178.5 -27.2 121.7 124.1 156 -0.6 0 0.0 0 0.0 0 0.0 4 17
159 A 161 ALA A T T 3 TS+ 0 0 -98.3 0.1 -178.3 103.2 122.3 65.1 0 0.0 0 0.0 0 0.0 0 0.0 6 18
160 A 162 SER S E E BE < TS- 157 0 -88.6 143.7 178.8 -120.8 74.9 124.1 157 -2.3 157 -3.3 0 0.0 0 0.0 9 31
161 A 163 LEU L E E BEf - 156 174 -79.3 136.1 178.4 -111.8 34.0 130.2 173 -2.6 175 -2.2 0 0.0 0 0.0 13 38
162 A 164 CYS C E E B f> T - 0 175 -70.5 132.0 -179.0 -140.6 18.1 124.6 155 -1.4 165 -1.4 0 0.0 0 0.0 13 51
163 A 165 ILE I T e 3 TS+ 0 0 -61.8 -36.2 -178.9 58.5 97.6 30.4 175 -2.7 0 0.0 0 0.0 0 0.0 11 62
164 A 166 MET M T T 3 TS+ 0 0 -83.1 17.6 177.3 133.8 72.0 77.8 0 0.0 151 -2.2 0 0.0 0 0.0 13 59
165 A 167 ARG R t < T - 0 0 -61.8 148.9 -180.0 -120.6 66.8 111.5 162 -1.4 0 0.0 0 0.0 0 0.0 13 44
166 A 168 PRO P S S S+ 0 0 -64.8 -23.2 179.5 39.1 95.8 40.1 0 0.0 0 0.0 0 0.0 0 0.0 8 41
167 A 169 GLY G S S S- 0 0 -129.3 150.1 -179.7 -114.7 86.9 160.8 0 0.0 169 -0.5 0 0.0 0 0.0 5 38
168 A 170 LEU L - 0 0 -88.8 123.0 178.6 -177.1 29.9 136.9 0 0.0 0 0.0 0 0.0 0 0.0 6 46
169 A 171 THR T - 0 0 -114.5 140.0 179.2 -111.1 31.9 156.9 167 -0.5 0 0.0 0 0.0 0 0.0 5 36
170 A 172 LYS K + 0 0 -75.1 136.4 -179.7 134.6 55.8 122.6 0 0.0 0 0.0 0 0.0 0 0.0 5 32
171 A 173 GLY G - 0 0 -164.4 176.7 -179.7 -121.4 57.2 159.1 0 0.0 0 0.0 0 0.0 0 0.0 6 31
172 A 174 ARG R S S S+ 0 0 -112.9 2.0 179.9 57.3 93.4 68.8 0 0.0 0 0.0 0 0.0 0 0.0 5 26
173 A 175 SER S e + 0 0 -141.7 121.5 -179.6 169.7 58.5 165.2 0 0.0 161 -2.6 0 0.0 0 0.0 7 34
174 A 176 TYR Y E E Bf + 161 0 -131.2 143.4 179.6 165.5 2.2 167.7 0 0.0 0 0.0 0 0.0 0 0.0 11 49
175 A 177 GLU E E E Bf - 162 0 -149.8 162.8 177.5 -99.5 39.7 164.7 161 -2.2 163 -2.7 0 0.0 0 0.0 10 52
176 A 178 PHE F - 0 0 -86.6 132.6 179.8 -128.5 42.5 136.5 0 0.0 0 0.0 0 0.0 0 0.0 12 55
177 A 179 SER S h > T - 0 0 -73.5 172.1 177.9 -102.6 24.7 101.8 0 0.0 181 -1.7 0 0.0 0 0.0 13 43
178 A 180 ASP D H H > TS+ 0 0 -63.6 -36.9 179.3 57.8 121.9 29.2 0 0.0 182 -1.7 0 0.0 0 0.0 6 34
179 A 181 ASP D H H > TS+ 0 0 -58.5 -48.8 179.8 51.1 104.0 17.5 0 0.0 183 -2.7 0 0.0 0 0.0 8 35
180 A 182 SER S H H > TS+ 0 0 -56.1 -42.9 179.5 53.7 107.3 27.2 0 0.0 184 -2.4 0 0.0 0 0.0 13 48
181 A 183 MET M H H X TS+ 0 0 -62.4 -33.7 179.1 45.5 111.9 29.4 177 -1.7 185 -2.1 0 0.0 0 0.0 11 44
182 A 184 HIS H H H X TS+ 0 0 -77.0 -40.4 177.1 52.3 109.6 28.5 178 -1.7 186 -2.3 0 0.0 0 0.0 8 32
183 A 185 TYR Y H H X TS+ 0 0 -57.8 -46.4 -179.7 44.8 115.2 20.7 179 -2.7 187 -2.1 0 0.0 0 0.0 11 35
184 A 186 TYR Y H H X TS+ 0 0 -65.1 -47.1 -180.0 52.8 109.6 25.5 180 -2.4 188 -2.3 0 0.0 0 0.0 11 50
185 A 187 GLU E H H X TS+ 0 0 -58.3 -39.7 179.1 45.6 112.7 25.3 181 -2.1 189 -1.5 0 0.0 0 0.0 9 36
186 A 188 ARG R H H X TS+ 0 0 -70.4 -38.6 178.2 57.7 107.6 26.8 182 -2.3 190 -2.7 0 0.0 0 0.0 8 29
187 A 189 PHE F H H X TS+ 0 0 -56.6 -44.9 178.5 51.6 105.3 21.8 183 -2.1 191 -2.3 0 0.0 0 0.0 12 38
188 A 190 LEU L H H X TS+ 0 0 -56.8 -46.5 -178.8 46.4 112.3 22.2 184 -2.3 192 -2.0 0 0.0 0 0.0 9 38
189 A 191 LYS K H H < TS+ 0 0 -61.6 -52.5 -178.9 41.0 116.9 21.7 185 -1.5 0 0.0 0 0.0 0 0.0 7 25
190 A 192 GLN Q H H < TS+ 0 0 -64.6 -53.0 -176.8 26.7 128.1 16.8 186 -2.7 0 0.0 0 0.0 0 0.0 6 21
191 A 193 TYR Y H H < TS- 0 0 -88.4 -20.3 -177.8 -157.4 76.5 46.4 187 -2.3 0 0.0 0 0.0 0 0.0 6 26
192 A 194 LYS K h < T - 0 0 39.9 57.4 -179.6 -148.6 20.7 27.7 188 -2.0 0 0.0 0 0.0 0 0.0 7 30
193 A 195 PRO P - 0 0 -58.2 122.1 -178.5 -166.0 14.1 110.3 0 0.0 0 0.0 0 0.0 0 0.0 9 38
194 A 196 GLN Q S g > TS+ 0 0 -78.2 -37.0 -177.2 68.1 77.5 31.5 0 0.0 197 -1.6 0 0.0 0 0.0 6 32
195 A 197 CYS C G G > TS+ 0 0 -57.1 -30.5 -178.2 56.9 93.0 37.0 0 0.0 198 -0.6 0 0.0 0 0.0 8 43
196 A 198 ILE I G G 3 TS+ 0 0 -90.8 17.0 -179.9 78.3 88.1 73.3 0 0.0 5 -3.0 0 0.0 0 0.0 11 49
197 A 199 LEU L G G < T + 0 0 -94.5 -24.0 -179.1 92.0 68.1 43.4 194 -1.6 0 0.0 0 0.0 0 0.0 9 31
198 A 200 ASN N S g < TS- 0 0 -79.9 131.9 178.7 -126.5 75.6 125.4 195 -0.6 0 0.0 0 0.0 0 0.0 7 27
199 A 201 LYS K 0 0 -75.2 117.8 -179.7 999.9 999.9 130.5 0 0.0 0 0.0 0 0.0 0 0.0 5 24
200 A 202 PRO P 0 0 -60.9 999.9 999.9 999.9 999.9 29.2 0 0.0 0 0.0 0 0.0 0 0.0 5 25
1atlA.pdb
1ATL METALLOENDOPEPTIDASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEEEEE HHHHHHTTT HHHHHHHHHHHHHHHHHHHGGGTEEEEEEEEEE SS SS SSHHHHHHHHHHHHHHTHHHHS SEEEEEE S Kabs/Sand
chirality ------------++++++--+-+++++++++++++++++++++-+----------++---+----+-+++++++++++++++++++-+-+----+-+-- chirality
bends SSSSSSS S SSSSSSSSSSSSSSSSSSSSSS SS SS SSSSSSSSSSSSSSSSSSSSSS S S bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >>555<< 5-turns
3-turns >3><3< >>><<< >33< >33< 3-turns
bridge-2 bbbbb ccccc bridge-2
bridge-1 aaaaaaaaa aaaaa*aaaa bbbbb bridge-1
sheets AAAAAAAAA AAAAAAAAAA AAAAAA sheets
4-turns >>>><<<< >>>>XXXXXXXXXXXXX<<<< >>>>XXXXXXXX<<44<< 4-turns
summary EEEEEEEEEhHHHHHHhTThHHHHHHHHHHHHHHHHHHHhTTeEEEEEEEEEEeSS SS ShHHHHHHHHHHHHHHhHHHHh SEEEEEE S summary
sequence LPQRYIELVVVADHRVFMKYNSDLNTIRTRVHEIVNFINGFYRSLNIHVSLTDLEIWSNEDQINIQSASSDTLNAFAEWRETDLLNRKSHDNAQLLTAIE sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand SSS EE TT TT TTTSEEEEE S HHHHHHHHHHHHHHHTT TT EETTEEETT SS S EE HHHHHHHHHHHHHH SGGGS Kabs/Sand
chirality -+-++--+---++++-++++-----++-+-+++++++++++++++-+-----+++---+---++-+---+-+++---+++++++++++++---++++- chirality
bends SSS SS SS SSSS S SSSSSSSSSSSSSSSSS SS SSSS SS SS S SSSSSSSSSSSSSS SSS S bends
turns TTTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTT TTTT TTTT TTTTTTTTTTTTTTTT TTTTT turns
5-turns >5555< 5-turns
3-turns >33X33< >33< >33< >33< >33< >>3<< 3-turns
bridge-2 DD ff bridge-2
bridge-1 DD ccccc EE EE ff bridge-1
sheets AA AAAAA BB BBB BB sheets
4-turns >444< >>>>XXXXXXXXX<<<< >>>>XXXXXXXX<<<< 4-turns
summary SSS eEE tTTtTTtTTTeEEEEEe ShHHHHHHHHHHHHHHHhTt tTTeEETTEEEeTtSS SeEE hHHHHHHHHHHHHHHh gGGGg summary
sequence LDEETLGLAPLGTMCDPKLSIGIVQDHSPINLLMGVTMAHELGHNLGMEHDGKDCLRGASLCIMRPGLTKGRSYEFSDDSMHYYERFLKQYKPQCILNKP sequence
110 120 130 140 150 160 170 180 190 200