Secondary structure calculation program - copyright by David Keith Smith, 1989
1kopA.pdb
1KOP LYASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 223
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 4 HIS H 0 0 999.9 172.0 179.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 20
2 A 5 THR T - 0 0 -60.9 136.7 -179.4 -101.8 999.9 109.8 0 0.0 0 0.0 0 0.0 0 0.0 5 27
3 A 6 HIS H + 0 0 -63.8 137.7 178.6 162.2 50.6 110.3 0 0.0 0 0.0 0 0.0 0 0.0 6 27
4 A 7 TRP W + 0 0 -151.4 156.2 -179.7 152.1 1.6 166.7 0 0.0 0 0.0 0 0.0 0 0.0 9 40
5 A 8 GLY G - 0 0 -158.8 -154.4 -179.6 -93.9 51.7 138.6 10 -2.4 0 0.0 0 0.0 0 0.0 10 40
6 A 9 TYR Y S S S+ 0 0 -119.5 -8.9 179.8 50.6 98.6 63.0 0 0.0 0 0.0 0 0.0 0 0.0 12 38
7 A 10 THR T S g > TS+ 0 0 -129.0 161.5 179.0 9.0 96.0 149.7 0 0.0 10 -0.8 0 0.0 0 0.0 7 26
8 A 11 GLY G G G > TS- 0 0 73.9 -151.6 -179.0 -26.6 117.0 109.8 0 0.0 11 -1.0 0 0.0 0 0.0 6 19
9 A 12 HIS H G G 3 TS+ 0 0 -76.4 -13.3 -179.9 59.4 134.9 52.9 0 0.0 0 0.0 0 0.0 0 0.0 5 17
10 A 13 ASP D G G < TS+ 0 0 -101.2 17.4 -179.7 133.9 78.8 79.5 7 -0.8 5 -2.4 0 0.0 0 0.0 13 33
11 A 14 SER S S g > X TS- 0 0 -62.9 164.3 -179.7 -89.2 76.1 95.7 8 -1.0 14 -2.6 0 0.0 15 -0.5 11 35
12 A 15 PRO P G G 4 > TS+ 0 0 -45.7 -34.3 -179.7 64.1 123.2 41.9 0 0.0 15 -0.8 0 0.0 0 0.0 10 43
13 A 16 GLU E G G 4 3 TS+ 0 0 -66.2 -21.2 -178.5 40.0 109.4 42.5 0 0.0 0 0.0 0 0.0 0 0.0 7 38
14 A 17 SER S G h > X TS+ 0 0 -108.2 -1.3 -179.0 102.8 81.4 65.5 11 -2.6 17 -1.9 0 0.0 18 -0.6 9 33
15 A 18 TRP W H H X X TS+ 0 0 -48.8 -47.8 -179.7 56.0 79.5 27.2 12 -0.8 18 -1.6 11 -0.5 19 -0.7 15 42
16 A 19 GLY G H H 4 3 TS+ 0 0 -61.7 -16.1 -179.5 49.0 108.8 48.5 0 0.0 0 0.0 0 0.0 0 0.0 13 36
17 A 20 ASN N H H 4 < TS+ 0 0 -102.0 -4.2 -178.6 76.0 93.3 63.0 14 -1.9 0 0.0 0 0.0 0 0.0 8 29
18 A 21 LEU L H H < < TS- 0 0 -76.4 -37.3 178.4 -10.1 111.9 32.6 15 -1.6 0 0.0 14 -0.6 0 0.0 11 30
19 A 22 SER S h < > T - 0 0 -159.2 152.4 -179.3 -113.8 64.4 166.3 15 -0.7 22 -1.5 0 0.0 0 0.0 9 28
20 A 23 GLU E G G > TS+ 0 0 -61.2 -26.7 179.8 62.2 114.7 36.5 0 0.0 23 -1.2 0 0.0 0 0.0 7 22
21 A 24 GLU E G G 3 TS+ 0 0 -72.5 -18.3 179.8 54.0 100.3 45.4 0 0.0 0 0.0 0 0.0 0 0.0 6 25
22 A 25 PHE F G G X TS+ 0 0 -94.7 3.7 -177.0 111.7 74.5 68.3 19 -1.5 25 -2.3 0 0.0 0 0.0 14 34
23 A 26 ARG R G h > X T + 0 0 -50.1 -33.8 -179.9 63.8 65.9 40.0 20 -1.2 27 -1.9 0 0.0 26 -1.2 12 31
24 A 27 LEU L H H > 3 TS+ 0 0 -66.0 -20.9 178.9 73.7 86.8 42.3 0 0.0 28 -2.2 0 0.0 0 0.0 11 35
25 A 28 CYS C H H 4 < TS+ 0 0 -60.5 -32.0 179.9 24.7 112.9 32.0 22 -2.3 0 0.0 0 0.0 0 0.0 13 45
26 A 29 SER S H H 4 < TS+ 0 0 -104.3 -26.7 -178.7 39.9 130.6 44.3 23 -1.2 0 0.0 0 0.0 0 0.0 9 40
27 A 30 THR T H H < TS+ 0 0 -100.4 -13.2 -179.7 112.5 85.3 52.7 23 -1.9 0 0.0 0 0.0 0 0.0 7 34
28 A 31 GLY G h < T - 0 0 -63.7 144.4 -179.9 -164.0 46.7 107.0 24 -2.2 0 0.0 0 0.0 0 0.0 8 40
29 A 32 LYS K S S S+ 0 0 -106.8 -0.7 -179.0 53.4 85.8 68.9 0 0.0 0 0.0 0 0.0 0 0.0 7 33
30 A 33 ASN N S S S+ 0 0 -131.8 53.9 -178.2 153.1 80.3 111.9 0 0.0 0 0.0 0 0.0 0 0.0 12 40
31 A 34 GLN Q - 0 0 -89.6 154.9 177.5 -103.5 32.3 117.8 0 0.0 0 0.0 0 0.0 0 0.0 16 53
32 A 35 SER S S S S+ 0 0 -118.1 156.7 0.3 50.2 77.3 149.3 0 0.0 0 0.0 0 0.0 0 0.0 11 62
33 A 36 PRO P + 0 0 -82.7 178.9 -179.9 178.6 66.7 55.1 0 0.0 214 -3.1 0 0.0 0 0.0 14 69
34 A 37 VAL V e - 0 0 -140.0 164.9 176.8 -114.2 35.3 156.4 0 0.0 97 -2.1 0 0.0 36 -0.7 12 56
35 A 38 ASN N E E Aa - 97 0 -101.8 108.1 -179.7 -143.5 32.2 155.6 0 0.0 37 -0.9 0 0.0 0 0.0 11 46
36 A 39 ILE I E E Aa + 98 0 -77.1 104.7 -180.0 137.2 46.6 131.2 97 -3.0 99 -2.7 34 -0.7 0 0.0 11 46
37 A 40 THR T + 0 0 -111.0 -66.4 179.3 31.4 62.1 41.3 35 -0.9 0 0.0 0 0.0 0 0.0 7 30
38 A 41 GLU E + 0 0 -99.1 144.0 179.7 177.9 70.0 137.9 0 0.0 0 0.0 0 0.0 0 0.0 5 26
39 A 42 THR T - 0 0 -140.4 164.4 177.3 -123.3 29.0 158.5 0 0.0 41 -0.5 0 0.0 0 0.0 9 30
40 A 43 VAL V E E Bb - 222 0 -110.6 125.9 179.6 -127.6 30.1 161.9 221 -2.6 223 -2.0 0 0.0 0 0.0 8 20
41 A 44 SER S E E Bb + 223 0 -74.3 123.1 -179.9 159.9 44.9 130.6 39 -0.5 0 0.0 0 0.0 0 0.0 6 19
42 A 45 GLY G e - 0 0 -143.1 168.5 179.6 -99.6 51.3 157.1 223 -2.8 44 -1.3 0 0.0 0 0.0 6 18
43 A 46 LYS K - 0 0 -89.6 86.7 -179.6 -170.4 47.8 135.4 0 0.0 0 0.0 0 0.0 0 0.0 5 19
44 A 47 LEU L - 0 0 -81.0 143.6 179.8 -108.8 24.4 123.0 42 -1.3 0 0.0 0 0.0 0 0.0 6 31
45 A 48 PRO P - 0 0 -70.4 148.5 179.9 -100.1 39.5 113.9 0 0.0 0 0.0 0 0.0 0 0.0 6 29
46 A 49 ALA A e - 0 0 -69.8 147.8 178.9 -127.6 29.6 109.7 0 0.0 79 -0.6 0 0.0 0 0.0 8 32
47 A 50 ILE I E E CC - 78 0 -96.8 133.6 178.5 -160.7 18.1 146.2 0 0.0 49 -0.5 0 0.0 0 0.0 9 45
48 A 51 LYS K E E CC - 77 0 -118.0 116.5 179.8 -165.0 7.5 165.1 77 -2.6 77 -3.3 0 0.0 0 0.0 7 35
49 A 52 VAL V E E CC + 76 0 -106.6 135.5 178.8 179.4 15.1 148.9 47 -0.5 0 0.0 0 0.0 0 0.0 9 46
50 A 53 ASN N E E CC + 75 0 -132.1 77.4 178.8 156.5 22.7 135.9 75 -3.1 75 -2.1 0 0.0 0 0.0 9 35
51 A 54 TYR Y - 0 0 -99.1 158.0 -179.0 -175.7 15.4 135.1 0 0.0 0 0.0 0 0.0 0 0.0 11 40
52 A 55 LYS K - 0 0 -152.0 157.0 179.5 -75.8 40.9 169.4 0 0.0 0 0.0 0 0.0 0 0.0 10 30
53 A 56 PRO P + 0 0 -57.6 121.3 -177.5 175.9 64.5 112.8 0 0.0 0 0.0 0 0.0 0 0.0 8 34
54 A 57 SER S B B A - 154 0 -130.6 162.7 177.8 -102.3 39.4 152.5 154 -2.4 154 -2.7 0 0.0 56 -0.7 8 35
55 A 58 MET M + 0 0 -85.4 114.1 -179.7 163.0 55.1 139.4 0 0.0 0 0.0 0 0.0 0 0.0 11 34
56 A 59 VAL V e - 0 0 -128.0 167.5 176.9 -138.2 30.6 145.4 54 -0.7 150 -1.9 0 0.0 0 0.0 12 42
57 A 60 ASP D E E CDE - 68 149 -128.9 142.4 -179.6 -133.7 15.4 166.8 68 -1.3 68 -2.4 0 0.0 0 0.0 11 42
58 A 61 VAL V E E CDE - 67 148 -97.3 133.0 -178.0 -170.6 27.1 147.5 148 -2.8 148 -3.3 0 0.0 0 0.0 16 47
59 A 62 GLU E E E CDE - 66 147 -131.4 143.7 176.7 -156.9 25.4 163.4 66 -3.2 66 -3.1 0 0.0 61 -0.6 14 40
60 A 63 ASN N E E CDE + 65 146 -113.0 104.5 -179.3 172.6 18.5 165.3 146 -3.1 146 -1.5 0 0.0 0 0.0 17 40
61 A 64 ASN N e - 0 0 -99.4 15.0 -179.8 -103.0 57.5 77.8 64 -1.6 0 0.0 59 -0.6 0 0.0 9 40
62 A 65 GLY G S S S+ 0 0 83.3 -10.2 -179.7 63.6 117.2 72.9 0 0.0 0 0.0 0 0.0 0 0.0 9 41
63 A 66 HIS H S S S- 0 0 -115.5 -23.3 -179.1 -27.7 117.2 53.2 0 0.0 0 0.0 0 0.0 0 0.0 8 54
64 A 67 THR T e - 0 0 -174.8 177.6 176.0 -87.6 66.7 163.0 0 0.0 61 -1.6 0 0.0 66 -0.6 11 57
65 A 68 ILE I E E CD - 60 0 -106.4 117.9 -176.8 -169.3 51.6 165.6 0 0.0 90 -0.8 0 0.0 0 0.0 15 58
66 A 69 GLN Q E E CDF - 59 89 -117.6 140.4 178.0 -150.1 22.0 155.5 59 -3.1 59 -3.2 64 -0.6 68 -0.6 12 54
67 A 70 VAL V E E CDF - 58 88 -108.0 113.0 -178.0 -154.5 24.7 160.7 88 -3.2 88 -1.7 0 0.0 0 0.0 11 58
68 A 71 ASN N E E CDF - 57 87 -95.1 140.6 178.4 -151.7 11.5 136.0 57 -2.4 57 -1.3 66 -0.6 0 0.0 11 49
69 A 72 TYR Y e - 0 0 -111.2 102.4 -179.8 -173.0 7.5 154.8 86 -2.4 0 0.0 0 0.0 0 0.0 12 43
70 A 73 PRO P S S S+ 0 0 -63.4 -27.1 -178.5 41.3 73.4 39.7 0 0.0 0 0.0 0 0.0 0 0.0 7 31
71 A 74 GLU E S S S- 0 0 -125.6 154.0 179.0 -122.8 80.8 151.3 0 0.0 0 0.0 0 0.0 0 0.0 4 28
72 A 75 GLY G + 0 0 -75.6 -162.9 180.0 103.4 64.8 83.0 0 0.0 0 0.0 0 0.0 0 0.0 9 36
73 A 76 GLY G + 0 0 111.9 -26.3 178.8 98.1 58.2 84.5 0 0.0 75 -0.8 0 0.0 0 0.0 9 34
74 A 77 ASN N e + 0 0 -99.1 110.4 -175.5 174.3 59.1 153.6 0 0.0 85 -3.0 0 0.0 0 0.0 10 46
75 A 78 THR T E E CCG - 50 84 -126.5 158.2 178.4 -156.8 33.1 150.6 50 -2.1 50 -3.1 73 -0.8 0 0.0 12 44
76 A 79 LEU L E E CCG - 49 83 -129.5 124.5 179.8 -162.7 16.6 175.3 83 -2.6 83 -3.3 0 0.0 0 0.0 14 50
77 A 80 THR T E E CCG + 48 82 -115.6 127.5 179.7 164.3 15.7 162.9 48 -3.3 48 -2.6 0 0.0 0 0.0 11 39
78 A 81 VAL V E E CCG> T - 47 81 -146.1 122.8 -179.9 -9.6 67.7 164.2 81 -2.3 81 -1.3 0 0.0 0 0.0 10 39
79 A 82 ASN N T e 3 TS- 0 0 59.6 44.5 178.9 -51.3 128.4 27.0 46 -0.6 0 0.0 0 0.0 0 0.0 7 21
80 A 83 GLY G T T 3 TS+ 0 0 85.7 -23.6 -179.5 107.8 115.6 83.8 0 0.0 0 0.0 0 0.0 0 0.0 5 18
81 A 84 ARG R E E CG < T - 78 0 -94.0 143.8 -179.4 -146.0 56.7 133.3 78 -1.3 78 -2.3 0 0.0 0 0.0 7 27
82 A 85 THR T E E CG - 77 0 -111.8 128.6 179.6 -167.1 10.9 156.8 0 0.0 0 0.0 0 0.0 0 0.0 10 34
83 A 86 TYR Y E E CG - 76 0 -115.0 139.3 179.6 -136.8 14.5 157.3 76 -3.3 76 -2.6 0 0.0 0 0.0 12 41
84 A 87 THR T E E CGH - 75 112 -99.2 130.3 179.2 -121.2 20.4 144.8 112 -2.6 112 -1.7 0 0.0 0 0.0 12 43
85 A 88 LEU L E E C H + 0 111 -69.2 120.3 -179.7 172.8 32.8 122.0 74 -3.0 0 0.0 0 0.0 0 0.0 15 56
86 A 89 LYS K E E C * - 0 0 -97.2 -36.2 -179.0 -34.7 61.4 38.6 110 -3.0 69 -2.4 0 0.0 0 0.0 12 46
87 A 90 GLN Q E E CFH - 68 110 -175.3 164.9 175.0 -138.9 46.8 165.8 110 -1.3 110 -2.5 0 0.0 0 0.0 11 55
88 A 91 PHE F E E CFH + 67 109 -139.1 145.0 -179.0 169.3 23.5 167.9 67 -1.7 67 -3.2 0 0.0 0 0.0 12 63
89 A 92 HIS H E E CFH - 66 108 -143.5 -179.8 -177.2 -118.5 21.1 152.7 108 -1.7 108 -2.8 0 0.0 0 0.0 11 58
90 A 93 PHE F E E C H - 0 107 -130.6 164.1 177.7 -155.5 6.3 146.0 65 -0.8 0 0.0 0 0.0 0 0.0 11 65
91 A 94 HIS H E E C H - 0 106 -138.0 130.8 178.7 -133.2 21.5 176.3 106 -2.0 106 -1.9 0 0.0 0 0.0 13 63
92 A 95 VAL V S S S+ 0 0 -131.3 114.5 -0.2 19.2 93.6 170.6 0 0.0 209 -1.6 0 0.0 0 0.0 14 55
93 A 96 PRO P S S S- 0 0 -78.4 -167.9 -179.5 -93.2 112.7 48.2 0 0.0 0 0.0 0 0.0 0 0.0 12 55
94 A 97 SER S - 0 0 -68.1 155.7 179.2 -152.5 22.7 104.1 103 -3.0 0 0.0 0 0.0 0 0.0 13 57
95 A 98 GLU E S S S+ 0 0 -92.6 -52.6 178.7 59.0 79.0 29.1 0 0.0 0 0.0 0 0.0 0 0.0 14 56
96 A 99 ASN N S S S- 0 0 -76.5 153.1 179.1 -154.9 74.3 116.7 0 0.0 0 0.0 0 0.0 0 0.0 12 62
97 A 100 GLN Q E E Aa - 35 0 -129.2 153.3 178.1 -143.3 12.6 157.6 34 -2.1 36 -3.0 0 0.0 99 -0.6 14 51
98 A 101 ILE I E E AaB> TS- 36 101 -118.9 107.8 -179.1 -23.6 87.6 164.8 101 -1.3 101 -1.5 0 0.0 0 0.0 9 44
99 A 102 LYS K T e 3 TS- 0 0 56.0 46.3 179.2 -48.1 128.4 26.3 36 -2.7 0 0.0 97 -0.6 0 0.0 7 26
100 A 103 GLY G T T 3 TS+ 0 0 78.0 -0.4 -179.8 134.2 106.2 64.8 0 0.0 102 -0.5 0 0.0 0 0.0 8 24
101 A 104 ARG R B B B < T - 98 0 -90.3 122.1 177.5 -156.4 41.9 136.9 98 -1.5 98 -1.3 0 0.0 0 0.0 6 29
102 A 105 THR T - 0 0 -93.1 134.7 -179.9 -143.6 14.2 141.9 100 -0.5 0 0.0 0 0.0 0 0.0 10 39
103 A 106 PHE F - 0 0 -99.1 154.3 179.8 -114.7 21.1 133.0 0 0.0 94 -3.0 0 0.0 0 0.0 12 48
104 A 107 PRO P S S S+ 0 0 -53.2 -37.1 -179.9 0.4 95.4 34.4 0 0.0 0 0.0 0 0.0 0 0.0 13 45
105 A 108 MET M E E C I - 0 125 -153.6 158.4 178.5 -159.6 58.2 171.0 125 -1.0 125 -2.4 0 0.0 0 0.0 14 59
106 A 109 GLU E E E CHI - 91 124 -143.0 134.1 179.0 -151.4 10.5 173.0 91 -1.9 91 -2.0 0 0.0 0 0.0 16 65
107 A 110 ALA A E E CHI - 90 123 -107.6 140.4 178.6 -156.7 5.3 150.4 123 -2.7 123 -1.9 0 0.0 109 -0.5 11 68
108 A 111 HIS H E E CHI - 89 122 -120.9 114.5 178.3 -163.4 1.9 164.7 89 -2.8 89 -1.7 0 0.0 110 -0.8 11 64
109 A 112 PHE F E E CHI - 88 121 -97.3 103.7 -177.8 -152.9 18.2 150.6 121 -3.0 121 -2.2 107 -0.5 111 -0.5 12 63
110 A 113 VAL V E E CHI + 87 120 -86.2 121.8 -179.9 178.6 17.6 135.4 87 -2.5 86 -3.0 108 -0.8 87 -1.3 12 60
111 A 114 HIS H E E CHI - 85 119 -120.1 159.6 178.2 -161.5 14.1 144.5 119 -3.0 119 -2.0 109 -0.5 0 0.0 14 51
112 A 115 LEU L E E CHI - 84 118 -140.3 134.2 177.8 -144.0 11.6 177.4 84 -1.7 84 -2.6 0 0.0 0 0.0 13 42
113 A 116 ASP D e > T - 0 0 -86.9 -175.6 -179.2 -82.3 44.6 105.3 117 -1.6 116 -2.1 0 0.0 0 0.0 11 33
114 A 117 GLU E T T 3 TS+ 0 0 -54.3 -37.5 -179.1 48.3 132.7 32.0 0 0.0 0 0.0 0 0.0 0 0.0 7 23
115 A 118 ASN N T T 3 TS- 0 0 -92.6 19.3 178.8 -106.2 121.2 81.7 0 0.0 0 0.0 0 0.0 0 0.0 5 17
116 A 119 LYS K t < T + 0 0 64.9 24.2 178.1 155.8 64.9 44.4 113 -2.1 0 0.0 0 0.0 0 0.0 6 25
117 A 120 GLN Q e - 0 0 -83.2 125.1 -179.5 -127.0 39.6 136.8 0 0.0 113 -1.6 0 0.0 0 0.0 9 33
118 A 121 PRO P E E CI - 112 0 -77.1 143.9 177.5 -179.3 27.2 117.2 0 0.0 183 -2.0 0 0.0 0 0.0 11 45
119 A 122 LEU L E E CIj - 111 183 -142.1 126.9 179.8 -159.4 9.6 171.7 111 -2.0 111 -3.0 0 0.0 121 -0.5 12 56
120 A 123 VAL V E E CIj - 110 184 -115.1 123.2 178.0 -162.2 2.0 162.2 183 -2.9 185 -2.7 0 0.0 122 -0.6 12 61
121 A 124 LEU L E E CIj - 109 185 -100.7 124.1 -178.6 -157.9 18.5 157.1 109 -2.2 109 -3.0 119 -0.5 0 0.0 12 69
122 A 125 ALA A E E CIj - 108 186 -113.2 139.0 178.8 -167.5 13.0 153.4 185 -3.0 187 -2.6 120 -0.6 0 0.0 12 68
123 A 126 VAL V E E CI - 107 0 -122.3 130.0 179.3 -149.9 11.9 167.8 107 -1.9 107 -2.7 0 0.0 0 0.0 13 57
124 A 127 LEU L E E CI - 106 0 -101.3 142.0 -179.4 -148.4 8.3 145.6 0 0.0 191 -2.5 0 0.0 0 0.0 14 58
125 A 128 TYR Y E E CIk - 105 191 -115.2 130.1 177.3 -154.3 3.1 159.4 105 -2.4 105 -1.0 0 0.0 0 0.0 12 50
126 A 129 GLU E E E C k - 0 192 -94.1 155.6 178.2 -97.7 34.8 130.2 191 -2.8 193 -1.5 0 0.0 0 0.0 11 40
127 A 130 ALA A E E C k S+ 0 193 -73.5 132.5 179.9 89.2 79.7 124.7 0 0.0 0 0.0 0 0.0 0 0.0 10 29
128 A 131 GLY G e + 0 0 -179.1 -137.5 -180.0 13.9 67.5 146.2 193 -2.6 0 0.0 0 0.0 0 0.0 8 23
129 A 132 LYS K S S S- 0 0 -64.5 153.3 179.0 -87.6 84.3 103.2 0 0.0 0 0.0 0 0.0 0 0.0 7 21
130 A 133 THR T - 0 0 -61.3 140.0 179.3 -121.4 41.2 110.9 0 0.0 132 -0.8 0 0.0 0 0.0 8 29
131 A 134 ASN N - 0 0 -89.3 109.8 -179.4 -174.4 26.9 142.7 0 0.0 0 0.0 0 0.0 0 0.0 9 37
132 A 135 GLY G S t > TS+ 0 0 -75.4 -23.4 -179.7 63.9 78.4 42.4 130 -0.8 135 -0.6 0 0.0 0 0.0 5 29
133 A 136 ARG R T T 3 TS+ 0 0 -73.6 -20.5 179.3 50.1 101.9 42.7 0 0.0 0 0.0 0 0.0 0 0.0 7 32
134 A 137 LEU L T h > > TS+ 0 0 -94.2 -5.4 -178.8 92.9 83.7 58.9 0 0.0 138 -3.0 0 0.0 137 -0.9 8 51
135 A 138 SER S H H > < TS+ 0 0 -55.7 -41.5 179.5 58.7 79.0 31.3 132 -0.6 139 -2.5 0 0.0 0 0.0 8 34
136 A 139 SER S H H 4 3 TS+ 0 0 -58.1 -36.0 -179.9 35.7 115.5 32.9 0 0.0 0 0.0 0 0.0 0 0.0 7 38
137 A 140 ILE I H H > X TS+ 0 0 -84.2 -46.5 -179.0 52.1 116.4 25.6 134 -0.9 141 -0.7 0 0.0 140 -0.7 9 51
138 A 141 TRP W H H < 3 TS+ 0 0 -60.5 -34.5 -179.4 56.8 105.1 33.8 134 -3.0 0 0.0 0 0.0 0 0.0 8 51
139 A 142 ASN N T h < 3 TS+ 0 0 -70.5 -27.5 179.8 36.9 114.2 40.0 135 -2.5 0 0.0 0 0.0 0 0.0 6 36
140 A 143 VAL V T T 4 < TS+ 0 0 -103.2 -0.2 -178.7 140.0 84.4 66.5 137 -0.7 0 0.0 0 0.0 0 0.0 9 37
141 A 144 MET M t < T - 0 0 -49.9 116.5 179.7 -122.7 56.9 101.7 137 -0.7 0 0.0 0 0.0 0 0.0 12 44
142 A 145 PRO P - 0 0 -65.3 124.4 -179.8 -157.0 14.9 118.8 0 0.0 0 0.0 0 0.0 0 0.0 13 37
143 A 146 MET M S S S+ 0 0 -80.2 -5.8 177.8 35.8 79.2 60.3 0 0.0 0 0.0 0 0.0 0 0.0 8 31
144 A 147 THR T S S S- 0 0 -140.7 161.0 -179.4 -61.1 114.7 160.0 0 0.0 0 0.0 0 0.0 0 0.0 8 27
145 A 148 ALA A S S S+ 0 0 -47.4 111.9 -179.9 96.9 90.1 101.7 0 0.0 0 0.0 0 0.0 0 0.0 9 27
146 A 149 GLY G E E CE - 60 0 177.3 173.6 -179.3 -109.7 63.8 165.3 60 -1.5 60 -3.1 0 0.0 0 0.0 8 26
147 A 150 LYS K E E CE - 59 0 -128.9 133.8 179.2 -169.4 23.3 168.9 0 0.0 0 0.0 0 0.0 0 0.0 9 34
148 A 151 VAL V E E CE - 58 0 -125.9 136.3 179.9 -124.0 22.9 169.5 58 -3.3 58 -2.8 0 0.0 0 0.0 10 32
149 A 152 LYS K E E CE - 57 0 -77.7 130.3 178.4 -130.8 22.3 126.4 0 0.0 151 -0.7 0 0.0 0 0.0 7 29
150 A 153 LEU L e - 0 0 -83.1 116.6 -178.6 -157.3 14.7 139.5 56 -1.9 0 0.0 0 0.0 0 0.0 11 34
151 A 154 ASN N S S S+ 0 0 -64.3 -35.4 178.8 56.7 74.2 34.1 149 -0.7 0 0.0 0 0.0 0 0.0 5 25
152 A 155 GLN Q S S S- 0 0 -97.3 156.1 179.6 -99.3 97.1 129.5 0 0.0 0 0.0 0 0.0 0 0.0 5 26
153 A 156 PRO P - 0 0 -71.8 146.1 179.2 -143.5 34.8 116.4 0 0.0 0 0.0 0 0.0 0 0.0 9 32
154 A 157 PHE F B B A - 54 0 -119.6 130.1 179.5 -160.2 8.5 164.3 54 -2.7 54 -2.4 0 0.0 156 -0.7 9 43
155 A 158 ASP D g > T - 0 0 -108.0 105.6 -179.8 -165.7 1.4 154.5 0 0.0 158 -1.5 0 0.0 0 0.0 9 41
156 A 159 ALA A G G > TS+ 0 0 -65.3 -12.2 179.6 82.7 78.3 53.3 154 -0.7 159 -1.6 0 0.0 0 0.0 9 55
157 A 160 SER S G G > TS+ 0 0 -62.9 -27.6 179.8 64.6 81.3 35.0 0 0.0 160 -1.4 0 0.0 0 0.0 9 44
158 A 161 THR T G G < TS+ 0 0 -68.7 -16.8 -179.7 58.7 95.7 48.9 155 -1.5 0 0.0 0 0.0 0 0.0 7 34
159 A 162 LEU L G G < TS+ 0 0 -92.2 -2.3 -179.6 86.4 91.8 62.9 156 -1.6 0 0.0 0 0.0 0 0.0 7 54
160 A 163 LEU L S g < TS- 0 0 -105.3 140.8 179.8 -116.3 79.0 145.4 157 -1.4 0 0.0 0 0.0 0 0.0 8 49
161 A 164 PRO P - 0 0 -64.3 164.6 178.8 -118.5 21.4 96.4 0 0.0 0 0.0 0 0.0 0 0.0 9 39
162 A 165 LYS K S S S+ 0 0 -69.8 -48.8 178.6 57.7 105.2 21.6 0 0.0 164 -0.5 0 0.0 0 0.0 4 24
163 A 166 ARG R - 0 0 -86.1 123.2 -179.2 -167.5 69.0 139.6 0 0.0 0 0.0 0 0.0 0 0.0 5 28
164 A 167 LEU L + 0 0 -103.5 32.0 178.0 142.8 32.6 93.4 162 -0.5 0 0.0 0 0.0 0 0.0 11 37
165 A 168 LYS K e - 0 0 -68.8 144.6 -177.0 -175.8 30.9 117.5 0 0.0 188 -2.5 0 0.0 189 -0.5 8 36
166 A 169 TYR Y E E CL - 187 0 -146.6 165.5 176.0 -119.6 34.6 158.9 0 0.0 0 0.0 0 0.0 0 0.0 9 50
167 A 170 TYR Y E E CL - 186 0 -98.8 139.8 -178.5 -152.9 36.5 148.3 186 -2.5 186 -2.4 0 0.0 0 0.0 12 50
168 A 171 ARG R E E CLC + 185 222 -126.0 130.0 177.4 139.8 27.3 165.1 222 -3.1 222 -2.7 0 0.0 0 0.0 11 52
169 A 172 PHE F E E CL - 184 0 -157.2 161.8 179.0 -110.1 45.1 167.5 184 -1.9 184 -2.9 0 0.0 0 0.0 11 54
170 A 173 ALA A E E CL + 183 0 -96.8 142.3 -179.2 127.9 53.6 143.5 0 0.0 0 0.0 0 0.0 0 0.0 10 46
171 A 174 GLY G E E CL - 182 0 -157.3 -141.7 -177.9 -90.8 43.5 128.7 182 -3.2 182 -2.1 0 0.0 181 -0.7 13 54
172 A 175 SER S E E CL - 180 0 -144.2 -180.0 175.3 -73.2 46.2 144.0 0 0.0 0 0.0 0 0.0 0 0.0 14 52
173 A 176 LEU L e - 0 0 -76.4 146.0 -179.3 -136.8 39.6 125.8 179 -1.6 0 0.0 0 0.0 0 0.0 12 62
174 A 177 THR T S S S+ 0 0 -89.2 8.5 179.2 59.8 84.3 71.1 0 0.0 0 0.0 0 0.0 0 0.0 9 71
175 A 178 THR T S t > TS- 0 0 -132.2 154.5 179.6 -40.8 99.1 159.1 0 0.0 178 -2.6 0 0.0 0 0.0 6 65
176 A 179 PRO P T T 3 TS+ 0 0 -52.5 143.7 0.2 32.7 124.8 103.8 0 0.0 0 0.0 0 0.0 0 0.0 9 46
177 A 180 PRO P T T 3 TS- 0 0 -78.1 14.0 178.8 -151.0 88.6 161.2 0 0.0 0 0.0 0 0.0 0 0.0 10 42
178 A 181 CYS C t < T - 0 0 58.3 35.3 -179.6 -163.4 21.3 36.5 175 -2.6 0 0.0 0 0.0 0 0.0 12 51
179 A 182 THR T e - 0 0 -51.4 131.9 179.2 -144.6 2.9 99.3 0 0.0 173 -1.6 0 0.0 0 0.0 10 39
180 A 183 GLU E E E C L S+ 0 172 -91.2 -175.0 -178.5 73.8 70.0 101.8 0 0.0 0 0.0 0 0.0 0 0.0 10 41
181 A 184 GLY G E E C * + 0 0 80.0 23.7 -179.8 142.5 66.4 42.3 171 -0.7 0 0.0 0 0.0 0 0.0 9 35
182 A 185 VAL V E E C L - 0 171 -101.3 126.9 178.7 -138.9 46.4 148.5 171 -2.1 171 -3.2 0 0.0 0 0.0 13 45
183 A 186 SER S E E CjL - 119 170 -87.5 131.8 -178.9 -154.3 18.2 136.6 118 -2.0 120 -2.9 0 0.0 0 0.0 12 56
184 A 187 TRP W E E CjL + 120 169 -113.0 125.3 178.2 179.5 16.5 158.5 169 -2.9 169 -1.9 0 0.0 186 -0.5 13 62
185 A 188 LEU L E E CjL - 121 168 -123.5 110.9 -179.6 -170.2 8.9 168.4 120 -2.7 122 -3.0 0 0.0 187 -0.6 12 66
186 A 189 VAL V E E CjL - 122 167 -106.2 115.3 -179.4 -127.5 22.5 158.4 167 -2.4 167 -2.5 184 -0.5 0 0.0 11 65
187 A 190 LEU L E E C L - 0 166 -63.2 138.5 -179.8 -148.1 5.5 108.5 122 -2.6 0 0.0 185 -0.6 0 0.0 13 53
188 A 191 LYS K S e S+ 0 0 -77.1 -27.2 -179.8 78.0 79.5 41.3 165 -2.5 190 -0.5 0 0.0 0 0.0 8 44
189 A 192 THR T S S S- 0 0 -89.6 126.0 -178.7 -146.0 75.3 139.6 165 -0.5 0 0.0 0 0.0 0 0.0 10 34
190 A 193 TYR Y - 0 0 -91.4 155.6 176.6 -152.2 5.6 121.3 188 -0.5 0 0.0 0 0.0 0 0.0 10 42
191 A 194 ASP D E E Ck - 125 0 -106.2 -167.8 -179.1 -119.0 22.4 111.5 124 -2.5 126 -2.8 0 0.0 0 0.0 9 46
192 A 195 HIS H E E Ck + 126 0 -138.9 161.0 177.1 178.0 24.3 157.1 0 0.0 0 0.0 0 0.0 0 0.0 11 42
193 A 196 ILE I E E Ck - 127 0 -153.6 159.8 178.4 -110.7 30.6 164.5 126 -1.5 128 -2.6 0 0.0 0 0.0 15 43
194 A 197 ASP D h > T - 0 0 -91.9 157.9 179.5 -113.9 31.2 126.7 0 0.0 198 -1.6 0 0.0 0 0.0 11 31
195 A 198 GLN Q H H > TS+ 0 0 -58.4 -33.6 -179.7 57.8 117.4 31.8 0 0.0 199 -2.2 0 0.0 0 0.0 9 32
196 A 199 ALA A H H > TS+ 0 0 -64.7 -41.8 179.6 51.9 102.3 28.3 0 0.0 200 -1.9 0 0.0 0 0.0 6 29
197 A 200 GLN Q H H > TS+ 0 0 -62.9 -40.3 179.5 47.9 111.5 24.4 0 0.0 201 -1.5 0 0.0 0 0.0 10 46
198 A 201 ALA A H H X TS+ 0 0 -68.1 -42.1 -179.9 47.9 112.2 25.5 194 -1.6 202 -2.0 0 0.0 0 0.0 12 49
199 A 202 GLU E H H X TS+ 0 0 -70.8 -28.7 178.1 55.9 107.4 35.7 195 -2.2 203 -2.1 0 0.0 0 0.0 8 38
200 A 203 LYS K H H X TS+ 0 0 -67.7 -39.0 179.0 50.6 107.5 25.6 196 -1.9 204 -2.3 0 0.0 0 0.0 8 38
201 A 204 PHE F H H X TS+ 0 0 -61.0 -51.9 179.6 47.9 110.5 18.3 197 -1.5 205 -2.5 0 0.0 0 0.0 10 52
202 A 205 THR T H H X TS+ 0 0 -57.3 -40.2 179.3 53.0 110.5 27.8 198 -2.0 206 -2.8 0 0.0 0 0.0 11 43
203 A 206 ARG R H H < TS+ 0 0 -62.6 -44.1 -179.9 46.3 111.1 21.7 199 -2.1 0 0.0 0 0.0 0 0.0 9 33
204 A 207 ALA A H H < TS+ 0 0 -66.3 -43.0 -179.6 41.2 117.7 27.2 200 -2.3 0 0.0 0 0.0 0 0.0 11 39
205 A 208 VAL V H H < TS- 0 0 -74.8 -39.0 179.4 -124.2 106.4 28.9 201 -2.5 0 0.0 0 0.0 0 0.0 14 41
206 A 209 GLY G S h < TS+ 0 0 114.0 -14.0 179.9 9.1 74.3 76.2 202 -2.8 0 0.0 0 0.0 0 0.0 7 34
207 A 210 SER S S S S- 0 0 -175.2 177.2 177.0 -60.2 96.1 165.3 0 0.0 0 0.0 0 0.0 0 0.0 8 38
208 A 211 GLU E - 0 0 -71.8 141.5 -177.8 -160.9 45.3 123.4 0 0.0 0 0.0 0 0.0 0 0.0 10 44
209 A 212 ASN N + 0 0 -124.9 46.1 179.4 124.3 40.3 101.7 92 -1.6 0 0.0 0 0.0 0 0.0 11 53
210 A 213 ASN N - 0 0 -108.7 132.4 178.2 -136.4 52.5 152.3 0 0.0 0 0.0 0 0.0 0 0.0 10 54
211 A 214 ARG R - 0 0 -81.9 139.4 179.6 -103.5 35.1 130.7 0 0.0 0 0.0 0 0.0 0 0.0 10 52
212 A 215 PRO P - 0 0 -61.8 150.2 -179.4 -88.5 47.8 108.5 0 0.0 0 0.0 0 0.0 0 0.0 7 46
213 A 216 VAL V - 0 0 -62.1 146.9 -177.9 -142.2 42.7 104.1 0 0.0 0 0.0 0 0.0 0 0.0 11 44
214 A 217 GLN Q - 0 0 -111.1 156.7 179.9 -90.5 24.7 138.3 33 -3.1 0 0.0 0 0.0 0 0.0 9 48
215 A 218 PRO P - 0 0 -66.1 139.1 178.7 -142.8 23.0 114.1 0 0.0 0 0.0 0 0.0 0 0.0 8 38
216 A 219 LEU L t > T + 0 0 -70.5 -29.4 -179.6 172.6 36.1 35.3 0 0.0 219 -2.2 0 0.0 0 0.0 10 39
217 A 220 ASN N T T 3 TS- 0 0 58.3 -114.3 -179.2 -5.0 70.3 114.3 0 0.0 0 0.0 0 0.0 0 0.0 6 27
218 A 221 ALA A T T 3 TS+ 0 0 -87.2 -5.8 -177.5 109.3 112.1 57.9 0 0.0 0 0.0 0 0.0 0 0.0 4 21
219 A 222 ARG R t < T - 0 0 -77.3 151.6 177.7 -156.9 51.3 109.1 216 -2.2 0 0.0 0 0.0 0 0.0 8 34
220 A 223 VAL V - 0 0 -123.8 140.4 178.5 -137.3 13.5 161.3 0 0.0 222 -0.5 0 0.0 0 0.0 8 34
221 A 224 VAL V e - 0 0 -100.9 127.7 179.8 -153.9 19.6 154.9 0 0.0 40 -2.6 0 0.0 0 0.0 11 42
222 A 225 ILE I E E BbC 40 168 -102.2 146.1 178.0 999.9 999.9 143.0 168 -2.7 168 -3.1 220 -0.5 0 0.0 11 33
223 A 226 GLU E E E Bb 41 0 -141.4 999.9 999.9 999.9 999.9 158.4 40 -2.0 42 -2.8 0 0.0 0 0.0 11 34
1kopA.pdb
1KOP LYASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SSGGGSGGGHHHH GGGGHHHH SS S EE EE EEEE B EEEE SS EEEE SS EEEETTEEEEEEEEEEESS SSEETT Kabs/Sand
chirality -++-++-++-++++++--++++++++-++-++--+++--+-------++--+-+----+-+-------+-+++--+--+----+--+---+--+----+ chirality
bends SSSSSSSSSSSSS SSS SSSS SS S SS SS SS SS SS SSS bends
turns TTTTTTTTTTTTTTTTTTTTTT TTTT TTT turns
5-turns 5-turns
3-turns >>33XX3<<>>3XX3<< >33< >33 3-turns
bridge-2 EEEE FFF GGGG HH*HHHHH B bridge-2
bridge-1 aa bb CCCC A DDDD DDDD CCCC GGGG FFF aa bridge-1
sheets AA BB CCCC CCCC CCCC CCCC CCCCCCCCCCC AA sheets
4-turns >44>X44<< >>44<< 4-turns
summary SgGGGgGGhHHHHhGGGhHHHHhSS S eEE EEe eEEEE B eEEEEeSSeEEEEeSS eEEEEeTEEEEEEEEEEESS SSEEeT summary
sequence HTHWGYTGHDSPESWGNLSEEFRLCSTGKNQSPVNITETVSGKLPAIKVNYKPSMVDVENNGHTIQVNYPEGGNTLTVNGRTYTLKQFHFHVPSENQIKG sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand B SEEEEEEEE TT EEEEEEEEEE S STTHHHHTT SSSEEEE SS B GGGGS S EEEEEEE SSTT EEEEEEEESS EEE HHHHHH Kabs/Sand
chirality ---+-----+---+-+----------++---+++++++++--+-+-----+----++++--+-+---+-+---+-+---++--+---+---+--++++++ chirality
bends S SS S S SSSSSSSSS SSS SS SSSSS S SSSS S SS SSSSSS bends
turns T TTTT TTTTTTTTTT TTTTTT TTTT TTTTTTT turns
5-turns 5-turns
3-turns < >33< >3><3X33< >>><<< >33< 3-turns
bridge-2 IIIIIIII jjjj kkk C L*LLLLLL bridge-2
bridge-1 B HHHHHHH IIIIIIII EEEE A LLLLLLL jjjj kkk bridge-1
sheets CCCCCCCC CCCCCCCCCC CCCC CCCCCCC CCCCCCCC CCC sheets
4-turns >>4><<4< >>>>XXX 4-turns
summary B SEEEEEEEEeTTteEEEEEEEEEEeS tThHHHHhTt SSSEEEEeSS BgGGGGg S eEEEEEEEeStTTteEEEEEEEEeS EEEhHHHHHH summary
sequence RTFPMEAHFVHLDENKQPLVLAVLYEAGKTNGRLSSIWNVMPMTAGKVKLNQPFDASTLLPKRLKYYRFAGSLTTPPCTEGVSWLVLKTYDHIDQAQAEK sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHSS TT EE Kabs/Sand
chirality ++++-+--+------+-+--- chirality
bends SSSSSSS SS bends
turns TTTTTT TTTT turns
5-turns 5-turns
3-turns >33< 3-turns
bridge-2 C bridge-2
bridge-1 bb bridge-1
sheets BB sheets
4-turns XX<<<< 4-turns
summary HHHHHhS tTTt eEE summary
sequence FTRAVGSENNRPVQPLNARVVIE sequence
210 220