Secondary structure calculation program - copyright by David Keith Smith, 1989
1i4nA.pdb
1I4N LYASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 251
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 ARG R 0 0 999.9 123.7 -175.2 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 20
2 A 3 ARG R h > T + 0 0 -125.6 -21.7 -177.1 91.2 999.9 51.5 183 -2.2 6 -1.7 0 0.0 0 0.0 8 27
3 A 4 LEU L H H > TS+ 0 0 -48.7 -50.7 179.7 52.5 87.2 28.8 0 0.0 7 -2.5 0 0.0 0 0.0 8 33
4 A 5 TRP W H H > TS+ 0 0 -52.5 -47.8 -179.9 51.1 109.6 22.7 0 0.0 8 -2.3 0 0.0 0 0.0 6 25
5 A 6 GLU E H H > TS+ 0 0 -57.0 -43.8 -179.6 49.5 110.7 27.9 0 0.0 9 -1.3 0 0.0 0 0.0 7 26
6 A 7 ILE I H H X TS+ 0 0 -65.5 -47.9 179.8 49.8 108.9 22.9 2 -1.7 10 -1.5 0 0.0 0 0.0 8 36
7 A 8 VAL V H H X TS+ 0 0 -59.9 -41.9 179.8 52.1 110.0 22.7 3 -2.5 11 -1.0 0 0.0 0 0.0 9 35
8 A 9 GLU E H H X TS+ 0 0 -64.3 -31.9 178.7 52.1 107.3 34.2 4 -2.3 12 -0.9 0 0.0 0 0.0 8 26
9 A 10 ALA A H H X TS+ 0 0 -73.4 -29.0 -179.0 51.9 108.4 36.5 5 -1.3 13 -1.3 0 0.0 0 0.0 8 29
10 A 11 LYS K H H X TS+ 0 0 -82.1 -19.9 177.5 62.4 99.6 50.0 6 -1.5 14 -1.4 0 0.0 0 0.0 9 38
11 A 12 LYS K H H < TS+ 0 0 -72.1 -34.5 178.2 44.5 107.6 32.1 7 -1.0 0 0.0 0 0.0 0 0.0 8 27
12 A 13 LYS K H H X > TS+ 0 0 -73.8 -39.5 179.5 61.9 106.7 30.5 8 -0.9 15 -1.3 0 0.0 16 -0.5 8 23
13 A 14 ASP D H H < > TS+ 0 0 -54.6 -42.7 -177.9 57.6 96.5 27.3 9 -1.3 16 -1.3 0 0.0 0 0.0 8 33
14 A 15 ILE I G h < > TS+ 0 0 -68.8 -12.2 179.2 69.1 92.3 49.4 10 -1.4 17 -0.8 0 0.0 0 0.0 10 34
15 A 16 LEU L G G 4 < TS+ 0 0 -75.3 -23.9 178.5 53.9 96.7 39.6 12 -1.3 0 0.0 0 0.0 0 0.0 7 21
16 A 17 GLU E G G < < TS+ 0 0 -89.0 2.0 179.8 99.2 86.8 69.5 13 -1.3 18 -0.7 12 -0.5 0 0.0 6 21
17 A 18 ILE I g < T - 0 0 -97.7 117.3 -179.2 -153.2 63.0 149.0 14 -0.8 19 -1.2 0 0.0 0 0.0 7 32
18 A 19 ASP D g > T - 0 0 -90.1 88.3 -177.2 -176.1 12.7 131.9 16 -0.7 21 -1.8 0 0.0 0 0.0 7 21
19 A 20 GLY G G G > TS+ 0 0 -63.1 -17.7 -178.8 63.6 74.8 52.1 17 -1.2 22 -0.7 0 0.0 0 0.0 8 23
20 A 21 GLU E G G 3 TS+ 0 0 -86.9 -1.1 -179.6 52.5 101.8 59.8 0 0.0 0 0.0 0 0.0 0 0.0 4 18
21 A 22 ASN N G G < TS+ 0 0 -122.4 31.4 -179.5 106.2 82.6 98.3 18 -1.8 0 0.0 0 0.0 0 0.0 5 20
22 A 23 LEU L g < T - 0 0 -117.6 122.7 179.8 -147.1 57.7 165.8 19 -0.7 24 -0.7 0 0.0 0 0.0 9 27
23 A 24 ILE I - 0 0 -90.6 114.5 -179.1 -146.5 21.4 144.0 0 0.0 0 0.0 0 0.0 0 0.0 6 23
24 A 25 VAL V - 0 0 -80.1 157.5 178.2 -142.5 3.4 113.9 22 -0.7 0 0.0 0 0.0 0 0.0 9 32
25 A 26 GLN Q - 0 0 -115.3 155.6 179.5 -134.8 8.7 146.3 0 0.0 27 -0.5 0 0.0 0 0.0 8 35
26 A 27 ARG R - 0 0 -114.9 120.9 -178.8 -178.1 29.3 164.4 0 0.0 0 0.0 0 0.0 0 0.0 8 29
27 A 28 ARG R - 0 0 -112.2 -178.0 -175.9 -123.4 29.3 121.7 149 -2.3 0 0.0 25 -0.5 0 0.0 9 36
28 A 29 ASN N - 0 0 -126.5 49.0 179.0 -93.0 52.9 109.3 0 0.0 0 0.0 0 0.0 0 0.0 6 29
29 A 30 HIS H h > T + 0 0 45.0 49.0 -179.6 156.3 64.1 36.6 150 -2.1 33 -1.9 0 0.0 0 0.0 10 39
30 A 31 ARG R H H > T + 0 0 -68.3 -40.4 179.1 57.0 68.1 30.0 0 0.0 34 -2.1 0 0.0 0 0.0 9 43
31 A 32 PHE F H H > TS+ 0 0 -58.5 -43.9 179.2 44.3 110.9 22.6 0 0.0 35 -1.4 0 0.0 0 0.0 12 58
32 A 33 LEU L H H > TS+ 0 0 -70.0 -38.9 -178.3 53.1 111.3 25.6 0 0.0 36 -0.6 0 0.0 0 0.0 9 47
33 A 34 GLU E H H < > TS+ 0 0 -64.3 -42.1 179.5 46.8 109.5 24.6 29 -1.9 36 -0.6 0 0.0 0 0.0 7 40
34 A 35 VAL V H H < 3 TS+ 0 0 -67.4 -36.4 -179.3 50.9 111.7 33.2 30 -2.1 0 0.0 0 0.0 0 0.0 9 44
35 A 36 LEU L H H < 3 TS+ 0 0 -80.8 -9.1 -178.4 128.8 83.8 59.7 31 -1.4 0 0.0 0 0.0 0 0.0 10 51
36 A 37 SER S h < < T + 0 0 -53.8 136.3 176.4 9.4 54.1 102.3 33 -0.6 0 0.0 32 -0.6 0 0.0 8 36
37 A 38 GLY G - 0 0 87.5 167.5 -178.6 -107.2 65.8 84.0 0 0.0 0 0.0 0 0.0 0 0.0 7 34
38 A 39 LYS K S S S+ 0 0 -124.6 20.2 179.1 101.8 80.6 80.6 0 0.0 0 0.0 0 0.0 0 0.0 10 33
39 A 40 GLU E S S S+ 0 0 -75.3 -18.6 -176.6 13.9 96.3 43.6 0 0.0 0 0.0 0 0.0 0 0.0 7 27
40 A 41 ARG R S S S- 0 0 -154.8 150.3 178.5 -111.1 79.5 170.5 0 0.0 42 -0.7 0 0.0 0 0.0 11 36
41 A 42 VAL V - 0 0 -88.9 112.5 179.3 -146.3 37.9 145.9 250 -2.0 0 0.0 0 0.0 0 0.0 15 48
42 A 43 LYS K E E Aa - 226 0 -79.5 150.6 -177.5 -126.6 10.3 120.2 225 -1.9 227 -2.2 40 -0.7 0 0.0 11 60
43 A 44 ILE I E E Aa - 227 0 -105.5 126.9 176.2 -170.0 17.6 149.5 0 0.0 76 -1.4 0 0.0 75 -1.3 12 68
44 A 45 ILE I E E Aab - 228 76 -112.2 108.6 -179.0 -157.0 17.4 162.1 227 -2.3 229 -2.3 0 0.0 0 0.0 13 72
45 A 46 ALA A E E Aab - 229 77 -92.2 130.6 -177.1 -148.8 7.0 138.6 76 -1.9 78 -2.6 0 0.0 0 0.0 13 65
46 A 47 GLU E E E A b - 0 78 -106.7 139.3 178.6 -153.1 7.0 142.1 229 -2.6 48 -0.6 0 0.0 0 0.0 12 72
47 A 48 PHE F E E A b + 0 79 -108.4 115.6 177.7 147.5 31.0 159.0 78 -2.7 80 -1.6 0 0.0 0 0.0 12 66
48 A 49 LYS K - 0 0 -151.2 121.5 -179.6 -166.6 30.8 154.2 46 -0.6 0 0.0 0 0.0 0 0.0 15 58
49 A 50 LYS K S S S+ 0 0 -77.1 -26.0 -179.0 5.0 76.4 43.2 0 0.0 57 -2.2 0 0.0 58 -1.6 14 44
50 A 51 ALA A B B A - 56 0 -152.1 168.9 178.6 -167.0 57.0 162.3 86 -1.0 0 0.0 0 0.0 0 0.0 13 37
51 A 52 SER S - 0 0 -157.5 156.1 -179.6 -115.9 34.7 169.0 55 -0.9 0 0.0 0 0.0 0 0.0 12 46
52 A 53 PRO P S S S+ 0 0 -63.3 -36.2 179.7 67.9 106.5 27.4 0 0.0 0 0.0 0 0.0 0 0.0 7 37
53 A 54 SER S S S S- 0 0 -49.8 -61.6 177.4 -14.1 131.5 26.4 0 0.0 0 0.0 0 0.0 0 0.0 5 31
54 A 55 ALA A S S S- 0 0 -105.6 -81.9 178.8 -138.5 90.6 55.2 0 0.0 0 0.0 0 0.0 0 0.0 7 29
55 A 56 GLY G + 0 0 162.7 -123.1 178.3 41.2 69.6 147.6 0 0.0 51 -0.9 0 0.0 0 0.0 8 25
56 A 57 ASP D B B A + 50 0 -58.8 113.2 179.6 164.6 52.8 111.4 0 0.0 0 0.0 0 0.0 0 0.0 8 26
57 A 58 ILE I S S S- 0 0 -95.1 -56.5 178.0 -9.6 80.7 32.5 49 -2.2 0 0.0 0 0.0 0 0.0 12 32
58 A 59 ASN N t > T + 0 0 -148.2 84.9 -177.8 177.2 68.4 132.9 49 -1.6 61 -1.1 0 0.0 0 0.0 10 34
59 A 60 ALA A T T 3 TS+ 0 0 -62.6 -33.0 -179.1 43.7 79.8 39.6 0 0.0 0 0.0 0 0.0 0 0.0 7 28
60 A 61 ASP D T T 3 TS+ 0 0 -97.8 7.4 -178.3 139.2 79.8 73.2 0 0.0 0 0.0 0 0.0 0 0.0 5 21
61 A 62 ALA A t < T - 0 0 -57.3 134.1 179.4 -133.1 49.5 105.8 58 -1.1 0 0.0 0 0.0 0 0.0 7 35
62 A 63 SER S h > T - 0 0 -90.0 132.0 -179.6 -153.8 5.9 141.0 0 0.0 66 -1.7 0 0.0 0 0.0 6 30
63 A 64 LEU L H H > TS+ 0 0 -72.9 -34.2 -179.2 56.8 93.2 31.8 0 0.0 67 -2.9 0 0.0 0 0.0 9 44
64 A 65 GLU E H H > TS+ 0 0 -63.7 -43.3 178.7 45.9 108.5 22.9 0 0.0 68 -1.8 0 0.0 0 0.0 7 30
65 A 66 ASP D H H > TS+ 0 0 -66.9 -42.0 179.3 45.7 115.9 23.7 0 0.0 69 -1.3 0 0.0 0 0.0 7 35
66 A 67 PHE F H H X TS+ 0 0 -68.5 -42.6 179.8 50.0 112.2 22.5 62 -1.7 70 -2.6 0 0.0 0 0.0 10 53
67 A 68 ILE I H H X TS+ 0 0 -64.8 -42.2 179.0 48.0 110.5 25.9 63 -2.9 71 -2.0 0 0.0 0 0.0 11 48
68 A 69 ARG R H H X TS+ 0 0 -68.7 -27.5 176.0 49.2 113.8 34.1 64 -1.8 72 -0.8 0 0.0 0 0.0 10 37
69 A 70 MET M H H X TS+ 0 0 -73.5 -42.8 178.6 47.6 112.0 24.2 65 -1.3 73 -2.3 0 0.0 0 0.0 9 40
70 A 71 TYR Y H H X TS+ 0 0 -66.2 -30.9 179.5 57.9 107.7 36.9 66 -2.6 74 -2.3 0 0.0 0 0.0 12 52
71 A 72 ASP D H H < TS+ 0 0 -68.0 -32.1 -179.4 41.5 111.4 36.7 67 -2.0 0 0.0 0 0.0 0 0.0 11 40
72 A 73 GLU E H H < TS+ 0 0 -82.5 -42.0 -176.6 22.8 129.9 26.6 68 -0.8 0 0.0 0 0.0 0 0.0 6 33
73 A 74 LEU L H H < TS+ 0 0 -105.5 -14.6 -178.7 68.4 108.9 54.1 69 -2.3 0 0.0 0 0.0 0 0.0 8 43
74 A 75 ALA A h < T - 0 0 -113.4 158.4 179.7 -141.4 61.3 140.9 70 -2.3 0 0.0 0 0.0 0 0.0 12 52
75 A 76 ASP D S S S+ 0 0 -82.0 -31.0 179.5 1.4 85.4 44.2 43 -1.3 0 0.0 0 0.0 0 0.0 13 50
76 A 77 ALA A E E Ab S- 44 0 -153.8 161.3 -176.0 -126.8 71.5 165.2 43 -1.4 45 -1.9 0 0.0 0 0.0 15 58
77 A 78 ILE I E E Abc - 45 104 -124.0 142.2 178.4 -157.2 7.3 157.8 103 -2.5 105 -3.0 0 0.0 0 0.0 14 67
78 A 79 SER S E E Abc - 46 105 -116.3 125.9 179.0 -173.7 11.4 162.8 45 -2.6 47 -2.7 0 0.0 0 0.0 12 74
79 A 80 ILE I E E Abc - 47 106 -124.4 120.2 178.8 -135.8 20.0 168.1 105 -2.8 107 -1.5 0 0.0 0 0.0 14 68
80 A 81 LEU L E E A c + 0 107 -71.6 128.6 179.3 176.6 22.6 126.6 47 -1.6 89 -0.7 0 0.0 0 0.0 13 61
81 A 82 THR T e + 0 0 -113.8 2.6 179.1 115.8 41.5 71.7 107 -2.4 0 0.0 0 0.0 0 0.0 13 54
82 A 83 GLU E - 0 0 -75.4 130.4 -175.3 -164.4 48.2 130.3 107 -0.6 88 -2.8 0 0.0 0 0.0 13 48
83 A 84 LYS K + 0 0 -87.5 -42.9 -176.0 48.5 69.1 32.2 0 0.0 0 0.0 0 0.0 0 0.0 8 41
84 A 85 HIS H S S S+ 0 0 -74.7 -37.9 -176.9 18.7 124.1 32.9 0 0.0 0 0.0 0 0.0 0 0.0 6 35
85 A 86 TYR Y S S S+ 0 0 -105.8 -31.3 -179.9 32.2 135.1 41.0 0 0.0 0 0.0 0 0.0 0 0.0 8 40
86 A 87 PHE F S S S- 0 0 -100.8 -14.8 -179.8 -132.3 95.2 54.8 0 0.0 50 -1.0 0 0.0 0 0.0 14 45
87 A 88 LYS K + 0 0 65.5 33.8 177.6 130.8 59.4 35.2 0 0.0 0 0.0 0 0.0 0 0.0 12 40
88 A 89 GLY G - 0 0 -102.3 -172.7 -179.5 -156.2 38.9 113.9 82 -2.8 0 0.0 0 0.0 0 0.0 13 44
89 A 90 ASP D t > T - 0 0 -163.4 148.6 179.2 -115.7 30.0 168.3 80 -0.7 92 -1.1 0 0.0 0 0.0 10 42
90 A 91 PRO P T h > > TS+ 0 0 -62.2 -21.8 179.9 68.0 110.4 42.0 0 0.0 94 -0.9 0 0.0 93 -0.8 11 49
91 A 92 ALA A H H > 3 TS+ 0 0 -66.8 -28.8 179.5 71.4 84.9 35.9 0 0.0 95 -2.9 0 0.0 0 0.0 7 39
92 A 93 PHE F H H > < TS+ 0 0 -56.0 -35.7 178.2 49.8 97.3 35.3 89 -1.1 96 -2.0 0 0.0 0 0.0 11 46
93 A 94 VAL V H H > < TS+ 0 0 -71.5 -37.0 178.8 50.6 109.7 29.4 90 -0.8 97 -1.9 0 0.0 0 0.0 14 54
94 A 95 ARG R H H X TS+ 0 0 -64.5 -46.0 178.3 46.8 112.7 18.7 90 -0.9 98 -0.6 0 0.0 0 0.0 10 41
95 A 96 ALA A H H < TS+ 0 0 -62.5 -41.0 179.7 44.0 116.1 30.1 91 -2.9 0 0.0 0 0.0 0 0.0 8 36
96 A 97 ALA A H H X > TS+ 0 0 -77.5 -25.5 -177.9 78.2 95.8 40.8 92 -2.0 99 -1.2 0 0.0 100 -0.8 11 45
97 A 98 ARG R H H < 3 TS+ 0 0 -55.5 -34.9 179.6 48.8 93.5 35.1 93 -1.9 0 0.0 0 0.0 0 0.0 10 44
98 A 99 ASN N T h < 3 TS+ 0 0 -80.2 -17.0 179.4 58.5 106.3 46.9 94 -0.6 0 0.0 0 0.0 0 0.0 7 26
99 A 100 LEU L T T 4 < TS+ 0 0 -86.7 -13.2 -177.6 27.0 112.5 53.7 96 -1.2 0 0.0 0 0.0 0 0.0 8 33
100 A 101 THR T t < T - 0 0 -151.5 150.2 175.7 -159.2 44.6 173.4 96 -0.8 0 0.0 0 0.0 0 0.0 9 38
101 A 102 CYS C + 0 0 -107.3 7.7 178.7 113.2 65.9 77.1 0 0.0 0 0.0 0 0.0 0 0.0 6 36
102 A 103 ARG R S S S- 0 0 -77.3 145.9 -179.2 -86.9 83.9 124.5 0 0.0 0 0.0 0 0.0 0 0.0 8 47
103 A 104 PRO P e - 0 0 -56.6 134.7 -179.1 -146.8 44.6 106.1 0 0.0 77 -2.5 0 0.0 0 0.0 13 58
104 A 105 ILE I E E Ac - 77 0 -114.5 129.5 177.6 -155.6 7.1 155.7 0 0.0 125 -2.8 0 0.0 126 -1.5 13 66
105 A 106 LEU L E E Acb - 78 126 -99.5 123.2 176.8 -148.3 10.2 148.4 77 -3.0 79 -2.8 0 0.0 107 -1.1 13 79
106 A 107 ALA A E E Ac - 79 0 -92.6 89.3 -178.3 -154.8 20.6 140.1 126 -2.6 108 -0.5 0 0.0 0 0.0 16 62
107 A 108 LYS K E E Ac + 80 0 -69.8 115.3 179.0 121.6 37.3 123.3 79 -1.5 81 -2.4 105 -1.1 82 -0.6 11 65
108 A 109 ASP D - 0 0 -161.1 175.5 178.1 -84.1 69.7 160.2 106 -0.5 110 -1.0 0 0.0 0 0.0 9 65
109 A 110 PHE F - 0 0 -95.2 95.4 -178.7 -159.6 48.0 144.8 0 0.0 111 -0.6 0 0.0 0 0.0 10 62
110 A 111 TYR Y + 0 0 -82.5 119.0 -180.0 144.3 33.9 134.9 108 -1.0 0 0.0 128 -0.7 0 0.0 11 59
111 A 112 ILE I + 0 0 -129.4 -9.1 179.3 42.8 62.1 62.3 109 -0.6 0 0.0 0 0.0 0 0.0 7 51
112 A 113 ASP D S t > TS- 0 0 -141.8 144.8 -179.5 -124.0 74.1 177.0 0 0.0 115 -1.4 0 0.0 0 0.0 9 44
113 A 114 THR T T h > > TS+ 0 0 -59.1 -24.5 179.3 71.9 106.1 43.4 0 0.0 116 -1.2 0 0.0 117 -1.0 10 46
114 A 115 VAL V H H > > TS+ 0 0 -58.8 -36.8 178.1 61.0 90.5 23.5 0 0.0 118 -1.9 0 0.0 117 -0.9 9 44
115 A 116 GLN Q H H > < TS+ 0 0 -62.0 -24.8 178.2 55.7 98.7 44.6 112 -1.4 119 -1.6 0 0.0 0 0.0 10 62
116 A 117 VAL V H H > < TS+ 0 0 -80.7 -23.1 178.4 52.4 105.3 37.3 113 -1.2 120 -1.9 0 0.0 0 0.0 13 61
117 A 118 LYS K H H X < TS+ 0 0 -73.5 -44.5 179.2 50.0 108.6 23.5 113 -1.0 121 -3.1 114 -0.9 0 0.0 12 51
118 A 119 LEU L H H X TS+ 0 0 -58.6 -44.5 -179.7 48.2 112.0 20.2 114 -1.9 122 -0.9 0 0.0 0 0.0 11 51
119 A 120 ALA A H H < >>TS+ 0 0 -63.4 -41.8 178.8 49.3 111.8 28.1 115 -1.6 124 -1.8 0 0.0 122 -0.5 12 64
120 A 121 SER S H H < >5TS+ 0 0 -61.5 -49.3 -179.2 56.2 107.6 15.1 116 -1.9 123 -1.8 0 0.0 0 0.0 14 57
121 A 122 SER S H H < 35TS+ 0 0 -58.8 -22.1 179.7 50.1 105.4 49.1 117 -3.1 0 0.0 0 0.0 0 0.0 11 44
122 A 123 VAL V T h < <5TS- 0 0 -99.9 2.9 178.7 -98.2 121.6 64.0 118 -0.9 0 0.0 119 -0.5 0 0.0 10 47
123 A 124 GLY G T T <5T + 0 0 99.1 5.9 -179.8 154.6 65.0 59.8 120 -1.8 0 0.0 0 0.0 0 0.0 10 51
124 A 125 ALA A t T - 156 0 -92.6 93.7 -179.7 -166.2 3.2 139.6 128 -0.7 133 -1.8 0 0.0 0 0.0 11 62
131 A 132 ALA A G e > TS+ 0 0 -45.7 -49.5 -179.3 67.6 77.5 34.2 156 -1.2 134 -2.2 129 -1.0 0 0.0 13 52
132 A 133 ARG R G G 3 TS+ 0 0 -55.4 -11.9 178.1 42.0 106.9 52.0 0 0.0 0 0.0 0 0.0 0 0.0 7 44
133 A 134 ILE I G G < TS+ 0 0 -114.7 5.2 -177.6 72.1 106.4 67.8 130 -1.8 0 0.0 0 0.0 0 0.0 5 42
134 A 135 LEU L S g < TS- 0 0 -124.3 147.6 177.2 -124.3 74.1 158.1 131 -2.2 0 0.0 0 0.0 0 0.0 9 44
135 A 136 THR T h > T - 0 0 -81.1 159.0 179.8 -104.0 39.4 122.1 0 0.0 139 -2.3 0 0.0 0 0.0 7 33
136 A 137 ALA A H H > TS+ 0 0 -52.6 -35.6 -179.5 49.5 120.3 38.1 0 0.0 140 -1.4 0 0.0 0 0.0 10 33
137 A 138 GLU E H H > TS+ 0 0 -75.2 -38.4 178.1 51.9 108.5 28.8 0 0.0 141 -1.8 0 0.0 0 0.0 7 29
138 A 139 GLN Q H H > TS+ 0 0 -60.9 -41.8 178.1 55.6 106.9 24.0 0 0.0 142 -2.0 0 0.0 0 0.0 10 35
139 A 140 ILE I H H X TS+ 0 0 -56.9 -41.3 -178.9 48.2 108.4 27.5 135 -2.3 143 -1.8 0 0.0 0 0.0 12 46
140 A 141 LYS K H H X TS+ 0 0 -72.3 -37.9 -179.4 47.1 110.8 30.8 136 -1.4 144 -2.2 0 0.0 0 0.0 10 43
141 A 142 GLU E H H X TS+ 0 0 -73.8 -33.2 178.4 48.7 113.6 26.4 137 -1.8 145 -2.1 0 0.0 0 0.0 9 38
142 A 143 ILE I H H X TS+ 0 0 -71.3 -39.3 178.2 49.0 112.1 26.5 138 -2.0 146 -1.6 0 0.0 0 0.0 12 47
143 A 144 TYR Y H H X TS+ 0 0 -64.1 -48.1 -179.7 46.9 113.7 17.5 139 -1.8 147 -1.9 0 0.0 0 0.0 10 52
144 A 145 GLU E H H X TS+ 0 0 -62.8 -38.4 179.9 56.2 107.1 29.4 140 -2.2 148 -1.4 0 0.0 0 0.0 8 39
145 A 146 ALA A H H < TS+ 0 0 -61.5 -43.8 -179.9 44.5 110.5 23.0 141 -2.1 0 0.0 0 0.0 0 0.0 10 43
146 A 147 ALA A H H < >>TS+ 0 0 -69.4 -34.5 -180.0 62.5 106.3 29.0 142 -1.6 151 -1.7 0 0.0 149 -1.5 13 52
147 A 148 GLU E H H < >5TS+ 0 0 -61.7 -36.1 178.9 51.6 100.4 33.3 143 -1.9 150 -0.8 0 0.0 0 0.0 9 42
148 A 149 GLU E T h < 35TS+ 0 0 -81.8 -1.2 177.1 55.4 105.6 61.2 144 -1.4 0 0.0 0 0.0 0 0.0 7 29
149 A 150 LEU L T T <5TS- 0 0 -104.8 0.1 179.1 -110.5 118.6 66.3 146 -1.5 27 -2.3 0 0.0 0 0.0 11 37
150 A 151 GLY G T T <5TS+ 0 0 84.6 8.0 -178.0 130.7 75.5 60.7 147 -0.8 29 -2.1 0 0.0 0 0.0 10 36
151 A 152 MET M t TS- 0 0 -145.2 174.3 178.9 -100.9 80.1 152.8 0 0.0 163 -1.8 0 0.0 0 0.0 8 41
160 A 161 ARG R H H > TS+ 0 0 -70.3 -26.8 176.3 61.4 122.0 34.2 0 0.0 164 -2.4 0 0.0 0 0.0 7 33
161 A 162 GLU E H H > TS+ 0 0 -60.4 -42.8 -179.8 47.6 105.3 23.0 0 0.0 165 -1.9 0 0.0 0 0.0 6 29
162 A 163 ASP D H H > TS+ 0 0 -64.7 -46.1 -178.1 48.8 111.5 25.4 0 0.0 166 -1.3 0 0.0 0 0.0 11 45
163 A 164 LEU L H H X TS+ 0 0 -64.2 -42.1 -179.3 49.8 110.5 24.3 159 -1.8 167 -2.1 0 0.0 0 0.0 10 46
164 A 165 GLU E H H X TS+ 0 0 -62.9 -49.0 179.3 52.3 108.6 18.4 160 -2.4 168 -1.2 0 0.0 0 0.0 8 34
165 A 166 LYS K H H < TS+ 0 0 -58.4 -30.3 179.2 50.0 110.1 38.9 161 -1.9 0 0.0 0 0.0 0 0.0 10 34
166 A 167 VAL V H H X > TS+ 0 0 -74.4 -49.2 -178.4 49.8 108.4 20.4 162 -1.3 170 -2.2 0 0.0 169 -1.7 12 46
167 A 168 PHE F H H < 3 TS+ 0 0 -66.3 -16.4 179.2 70.3 97.1 47.7 163 -2.1 0 0.0 0 0.0 0 0.0 9 37
168 A 169 SER S T h < 3 TS+ 0 0 -79.6 1.4 -178.0 21.9 116.3 62.9 164 -1.2 0 0.0 0 0.0 0 0.0 7 25
169 A 170 VAL V T T 4 < TS+ 0 0 -137.4 -32.4 179.2 14.0 125.8 52.3 166 -1.7 0 0.0 0 0.0 0 0.0 9 26
170 A 171 ILE I t < T - 0 0 -145.2 167.6 176.2 -127.0 55.3 155.8 166 -2.2 0 0.0 0 0.0 0 0.0 7 38
171 A 172 ARG R - 0 0 -116.9 87.6 -180.0 -149.2 40.2 145.7 0 0.0 0 0.0 0 0.0 0 0.0 6 39
172 A 173 PRO P - 0 0 -57.8 147.3 178.3 -152.7 15.8 99.2 0 0.0 0 0.0 0 0.0 0 0.0 8 50
173 A 174 LYS K S e S+ 0 0 -89.6 -31.3 180.0 29.8 87.0 39.1 0 0.0 204 -2.3 0 0.0 0 0.0 6 47
174 A 175 ILE I E E A f - 0 204 -134.6 122.5 178.1 -174.8 67.3 169.6 0 0.0 155 -1.9 0 0.0 0 0.0 12 58
175 A 176 ILE I E E Aef - 155 205 -115.3 137.3 178.8 -157.9 8.9 157.5 204 -2.8 206 -1.7 0 0.0 0 0.0 13 59
176 A 177 GLY G E E Aef - 156 206 -117.9 137.0 -179.5 -149.7 4.7 165.3 155 -3.2 157 -2.7 0 0.0 178 -0.6 12 69
177 A 178 ILE I E E Aef - 157 207 -109.3 116.0 -179.6 -157.2 10.8 155.6 206 -2.5 208 -2.6 0 0.0 179 -0.6 13 59
178 A 179 ASN N E E A f - 0 208 -98.8 124.4 -179.9 -171.2 15.0 142.6 157 -2.4 0 0.0 176 -0.6 0 0.0 13 53
179 A 180 THR T e + 0 0 -83.3 -13.4 179.2 87.5 66.4 53.3 208 -2.0 188 -2.4 177 -0.6 0 0.0 14 43
180 A 181 ARG R B B C S- 187 0 -92.2 136.5 179.0 -129.5 78.6 136.4 0 0.0 182 -0.8 0 0.0 0 0.0 12 45
181 A 182 ASP D t > T - 0 0 -83.9 112.1 -179.2 -150.1 14.0 139.4 186 -2.8 185 -2.2 0 0.0 0 0.0 11 39
182 A 183 LEU L T T 4 TS+ 0 0 -65.7 3.9 179.8 47.3 88.9 64.5 180 -0.8 0 0.0 0 0.0 0 0.0 7 44
183 A 184 ASP D T T 4 TS+ 0 0 -110.5 -43.8 -180.0 18.4 126.4 35.7 0 0.0 2 -2.2 0 0.0 0 0.0 7 31
184 A 185 THR T T T 4 TS- 0 0 -96.1 -30.6 -179.1 -131.0 95.4 45.7 0 0.0 0 0.0 0 0.0 0 0.0 7 22
185 A 186 PHE F t < T + 0 0 83.8 21.4 177.3 138.8 56.9 52.5 181 -2.2 0 0.0 0 0.0 0 0.0 8 30
186 A 187 GLU E - 0 0 -88.5 151.8 176.5 -136.3 45.1 128.3 0 0.0 181 -2.8 0 0.0 0 0.0 6 25
187 A 188 ILE I B B C - 180 0 -113.2 143.3 -179.3 -166.8 13.9 154.4 0 0.0 0 0.0 0 0.0 0 0.0 9 30
188 A 189 LYS K t > T - 0 0 -130.4 99.5 -178.2 -165.7 4.3 149.3 179 -2.4 191 -1.4 0 0.0 0 0.0 8 27
189 A 190 LYS K T T > TS+ 0 0 -49.7 -50.2 -178.6 65.4 81.7 32.6 0 0.0 192 -1.9 0 0.0 0 0.0 8 31
190 A 191 ASN N T h > 3 TS+ 0 0 -49.6 -25.8 179.6 79.8 82.0 47.5 0 0.0 194 -1.6 0 0.0 0 0.0 7 28
191 A 192 VAL V H H > < TS+ 0 0 -55.0 -31.6 179.3 56.6 88.4 39.1 188 -1.4 195 -1.8 0 0.0 0 0.0 11 36
192 A 193 LEU L H H > < TS+ 0 0 -65.2 -54.4 -177.7 47.5 107.0 11.2 189 -1.9 196 -1.8 0 0.0 0 0.0 11 44
193 A 194 TRP W H H 4 TS+ 0 0 -61.8 -29.8 178.2 48.6 112.8 40.5 0 0.0 0 0.0 0 0.0 0 0.0 8 33
194 A 195 GLU E H H < TS+ 0 0 -77.5 -51.2 -179.1 41.2 114.3 14.9 190 -1.6 0 0.0 0 0.0 0 0.0 7 27
195 A 196 LEU L H H < > TS+ 0 0 -67.3 -26.9 -176.2 79.2 97.3 38.0 191 -1.8 198 -0.7 0 0.0 0 0.0 11 40
196 A 197 LEU L G h < > TS+ 0 0 -53.6 -42.6 -179.2 53.7 86.3 45.5 192 -1.8 199 -0.9 0 0.0 0 0.0 7 41
197 A 198 PRO P G G 3 TS+ 0 0 -62.0 -36.5 -179.4 62.6 102.7 27.1 0 0.0 0 0.0 0 0.0 0 0.0 7 29
198 A 199 LEU L G G < TS+ 0 0 -62.0 -14.8 -179.7 91.9 85.8 58.0 195 -0.7 0 0.0 0 0.0 0 0.0 5 34
199 A 200 VAL V S g < TS- 0 0 -91.9 125.4 -179.9 -111.5 84.6 142.1 196 -0.9 0 0.0 0 0.0 0 0.0 7 43
200 A 201 PRO P t > T - 0 0 -51.4 156.3 -178.2 -121.4 19.3 89.6 0 0.0 203 -0.9 0 0.0 0 0.0 6 31
201 A 202 ASP D T T 3 TS+ 0 0 -74.8 -22.2 -178.5 56.0 108.9 48.3 0 0.0 0 0.0 0 0.0 0 0.0 4 24
202 A 203 ASP D T T 3 TS+ 0 0 -90.9 -0.3 -178.6 93.5 91.5 63.7 0 0.0 0 0.0 0 0.0 0 0.0 4 26
203 A 204 THR T S t < TS- 0 0 -95.4 151.3 178.1 -119.6 76.6 126.4 200 -0.9 0 0.0 0 0.0 0 0.0 10 42
204 A 205 VAL V E E Af - 174 0 -88.5 129.8 -179.3 -158.1 29.8 142.5 173 -2.3 175 -2.8 0 0.0 0 0.0 12 51
205 A 206 VAL V E E Af - 175 0 -116.7 129.1 179.0 -170.4 9.5 162.3 0 0.0 225 -2.2 0 0.0 226 -1.1 11 58
206 A 207 VAL V E E Afg - 176 226 -115.3 129.7 176.7 -141.8 16.4 161.1 175 -1.7 177 -2.5 0 0.0 208 -0.6 13 72
207 A 208 ALA A E E Afg - 177 227 -92.4 123.8 -178.6 -154.5 24.7 147.3 226 -2.5 228 -1.8 0 0.0 0 0.0 13 61
208 A 209 GLU E E E Afg - 178 228 -111.6 141.2 176.5 -8.7 34.9 150.8 177 -2.6 179 -2.0 206 -0.6 0 0.0 12 61
209 A 210 SER S S e S+ 0 0 69.9 159.3 176.0 62.7 84.7 68.5 228 -1.2 0 0.0 0 0.0 0 0.0 11 52
210 A 211 GLY G + 0 0 84.0 -13.6 -179.2 148.6 50.6 78.2 0 0.0 0 0.0 0 0.0 0 0.0 9 43
211 A 212 ILE I + 0 0 -61.7 119.9 -179.2 153.1 2.6 113.5 0 0.0 0 0.0 0 0.0 0 0.0 8 49
212 A 213 LYS K + 0 0 -118.7 -22.2 -178.5 49.7 61.2 56.1 0 0.0 0 0.0 0 0.0 0 0.0 5 38
213 A 214 ASP D g > T - 0 0 -128.2 123.6 -179.8 -143.4 68.4 169.3 0 0.0 216 -2.2 0 0.0 0 0.0 5 35
214 A 215 PRO P G G > TS+ 0 0 -53.3 -30.8 179.3 69.6 98.6 40.3 0 0.0 217 -1.4 0 0.0 0 0.0 10 41
215 A 216 ARG R G G > TS+ 0 0 -59.8 -26.0 -179.3 78.4 80.4 39.0 0 0.0 218 -2.1 0 0.0 0 0.0 7 27
216 A 217 GLU E G h > X TS+ 0 0 -53.8 -31.3 -179.4 67.8 79.1 38.6 213 -2.2 219 -1.1 0 0.0 220 -0.6 8 40
217 A 218 LEU L H H > < TS+ 0 0 -62.6 -20.9 -179.9 75.7 84.3 45.6 214 -1.4 221 -0.8 0 0.0 0 0.0 11 43
218 A 219 LYS K H H 4 X TS+ 0 0 -58.4 -42.1 179.8 45.4 95.6 30.8 215 -2.1 221 -0.5 0 0.0 0 0.0 9 31
219 A 220 ASP D H H 4 < TS+ 0 0 -77.5 -20.1 180.0 64.3 105.1 48.3 216 -1.1 0 0.0 0 0.0 0 0.0 5 33
220 A 221 LEU L H H X > TS+ 0 0 -78.5 -18.7 -179.2 122.5 71.9 45.0 216 -0.6 223 -1.9 0 0.0 224 -1.5 10 43
221 A 222 ARG R T h < < TS- 0 0 -50.1 129.8 178.3 -0.7 86.0 98.1 217 -0.8 0 0.0 218 -0.5 0 0.0 13 34
222 A 223 GLY G T T 4 3 TS+ 0 0 75.9 -14.4 -179.1 76.0 122.9 77.3 0 0.0 0 0.0 0 0.0 0 0.0 9 32
223 A 224 LYS K T T 4 < TS+ 0 0 -97.4 -29.0 -176.1 31.2 96.7 42.1 220 -1.9 0 0.0 0 0.0 0 0.0 6 42
224 A 225 VAL V t < T - 0 0 -133.0 154.3 179.8 -137.6 63.0 154.2 220 -1.5 0 0.0 0 0.0 0 0.0 13 49
225 A 226 ASN N S e S- 0 0 -78.1 -39.1 -178.6 -27.2 78.2 33.9 205 -2.2 42 -1.9 0 0.0 0 0.0 16 50
226 A 227 ALA A E E Aag - 42 206 -165.8 173.9 178.9 -119.7 53.8 168.7 205 -1.1 207 -2.5 0 0.0 0 0.0 13 63
227 A 228 VAL V E E Aag - 43 207 -128.3 149.3 179.3 -144.6 11.9 159.7 42 -2.2 44 -2.3 0 0.0 229 -0.6 12 68
228 A 229 LEU L E E Aag + 44 208 -115.4 116.3 -178.1 175.6 26.6 165.3 207 -1.8 209 -1.2 0 0.0 0 0.0 12 67
229 A 230 VAL V E E Aa + 45 0 -126.8 137.3 -179.8 139.6 16.2 167.9 44 -2.3 46 -2.6 227 -0.6 0 0.0 14 62
230 A 231 GLY G h > > T + 0 0 -134.4 -73.1 -177.4 46.0 63.0 60.0 0 0.0 234 -2.2 0 0.0 233 -0.9 11 62
231 A 232 THR T H H > 3 TS+ 0 0 -48.9 -52.4 178.0 56.5 108.1 34.1 0 0.0 235 -2.8 0 0.0 0 0.0 9 49
232 A 233 SER S H H > 3 TS+ 0 0 -49.5 -40.2 178.7 43.6 113.1 29.3 0 0.0 236 -1.0 0 0.0 0 0.0 9 45
233 A 234 ILE I H H 4 < TS+ 0 0 -74.2 -45.7 -179.3 50.6 112.3 22.0 230 -0.9 0 0.0 0 0.0 0 0.0 10 50
234 A 235 MET M H H < TS+ 0 0 -61.7 -36.2 -179.8 41.7 117.1 30.1 230 -2.2 0 0.0 0 0.0 0 0.0 12 49
235 A 236 LYS K H H < TS+ 0 0 -85.5 -18.7 -178.8 116.8 87.2 50.7 231 -2.8 0 0.0 0 0.0 0 0.0 9 35
236 A 237 ALA A h < T - 0 0 -54.5 141.6 177.9 -140.5 62.6 101.0 232 -1.0 0 0.0 0 0.0 0 0.0 8 33
237 A 238 GLU E S S S+ 0 0 -69.3 -39.7 176.0 27.2 104.6 27.4 0 0.0 0 0.0 0 0.0 0 0.0 4 21
238 A 239 ASN N S h > TS+ 0 0 -125.7 90.4 -179.6 179.5 73.2 140.7 0 0.0 242 -1.6 0 0.0 0 0.0 6 25
239 A 240 PRO P H H > TS+ 0 0 -52.2 -47.7 -179.1 54.4 80.0 31.2 0 0.0 243 -2.0 0 0.0 0 0.0 10 40
240 A 241 ARG R H H > TS+ 0 0 -61.2 -37.8 178.3 51.5 106.2 31.9 0 0.0 244 -1.8 0 0.0 0 0.0 7 34
241 A 242 ARG R H H > TS+ 0 0 -65.6 -43.5 178.4 52.8 108.6 24.8 0 0.0 245 -2.6 0 0.0 0 0.0 7 28
242 A 243 PHE F H H X TS+ 0 0 -56.5 -53.5 178.8 44.3 111.4 21.6 238 -1.6 246 -2.4 0 0.0 0 0.0 11 39
243 A 244 LEU L H H X TS+ 0 0 -62.4 -37.5 179.4 51.7 113.3 32.5 239 -2.0 247 -2.0 0 0.0 0 0.0 11 51
244 A 245 GLU E H H X TS+ 0 0 -66.9 -43.6 179.1 47.5 110.7 25.2 240 -1.8 248 -2.2 0 0.0 0 0.0 9 36
245 A 246 GLU E H H X TS+ 0 0 -65.2 -42.6 176.0 52.8 109.7 24.6 241 -2.6 249 -1.4 0 0.0 0 0.0 9 34
246 A 247 MET M H H X TS+ 0 0 -56.7 -46.1 178.5 50.9 108.7 21.8 242 -2.4 250 -0.7 0 0.0 0 0.0 11 44
247 A 248 ARG R H H < > TS+ 0 0 -57.2 -46.2 178.7 57.9 104.9 18.4 243 -2.0 250 -1.5 0 0.0 0 0.0 9 43
248 A 249 ALA A H H < 3 TS+ 0 0 -52.9 -38.7 -179.6 38.9 112.7 36.1 244 -2.2 0 0.0 0 0.0 0 0.0 7 28
249 A 250 TRP W H H < 3 TS+ 0 0 -94.4 0.5 -177.5 86.1 94.4 65.9 245 -1.4 0 0.0 0 0.0 0 0.0 10 33
250 A 251 SER S h < < T 0 0 -75.7 -22.8 176.8 999.9 999.9 48.6 247 -1.5 41 -2.0 246 -0.7 0 0.0 12 42
251 A 252 GLU E 0 0 -126.4 999.9 999.9 999.9 999.9 144.9 0 0.0 0 0.0 0 0.0 0 0.0 9 31
1i4nA.pdb
1I4N LYASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHHHGGG GGG HHHHHH SSS EEEEEE SB SSS BS TT HHHHHHHHHHH SEEEEE SSS THHHHHHHTT Kabs/Sand
chirality +++++++++++++++--+++-------++++++++-++-------+-+--+--++-+++--+++++++++++-+----++-+++-+--++++++++++- chirality
bends SSSSSSSSSSSSSS SSS SSSSS SSS S SSS S SS SSSSSSSSSSS SS SSS SSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTT TTTTTTTT TTTTTTTTTTTTTTTTT TTTTTTTTTTTT turns
5-turns 5-turns
3-turns >>><<<>>3<< >33< >33< >>3<< >33< 3-turns
bridge-2 bbbb cccc bridge-2
bridge-1 aaaa A A bbbb bridge-1
sheets AAAAAA AAAAA sheets
4-turns >>>>XXXXX>>><<<< >>>>XXXXX<<<< >>>>X5555< >5555< 5-turns
3-turns >>><<< >>3<< >>3<< >>3<< >33< >>3<< >>3<<> 3-turns
bridge-2 b b eee fffff bridge-2
bridge-1 cccc ddddd ddddd eee C C bridge-1
sheets AAAA AAAAA AAAAAA AAAAA sheets
4-turns >>>>XX<<<< >>>>XXXXXX<<<< >>>>XX444< >>>4<<< 4-turns
summary SeEEEE thHHHHHHHHhTteEEEEEeGGghHHHHHHHHHHHHhTTtEEEEEE hHHHHHHHHhTt eEEEEEeBtTTTt BtThHHHHHhGGgt summary
sequence CRPILAKDFYIDTVQVKLASSVGADAILIIARILTAEQIKEIYEAAEELGMDSLVEVHSREDLEKVFSVIRPKIIGINTRDLDTFEIKKNVLWELLPLVP sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand TTSEEEEES GGGHHHHTTT SEEEE HHHHH SSHHHHHHHHHHH Kabs/Sand
chirality ++------++++-+++++++-++----++++++++-+++++++++++++ chirality
bends SSS S SSSSSSSSSS S SSSSS SSSSSSSSSSSSS bends
turns TTT TTTTTTTTTTTT TTTTTTT TTTTTTTTTTTTT turns
5-turns 5-turns
3-turns 33< >>>X<3< >33< >33< 3-turns
bridge-2 ggg ggg bridge-2
bridge-1 fffff aaaa bridge-1
sheets AAAAA AAAA sheets
4-turns >>44X<44< >>>4<<< >>>>XXXXX<<<< 4-turns
summary TTtEEEEEe gGGhHHHHhTTteEEEEhHHHHHhShHHHHHHHHHHHh summary
sequence DDTVVVAESGIKDPRELKDLRGKVNAVLVGTSIMKAENPRRFLEEMRAWSE sequence
210 220 230 240 250