Secondary structure calculation program - copyright by David Keith Smith, 1989
1jbaA.pdb
1JBA LYASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 189
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 GLY G 0 0 999.9 152.2 179.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 14
2 A 3 GLN Q - 0 0 48.3 -135.4 180.0 -93.6 999.9 99.7 0 0.0 0 0.0 0 0.0 0 0.0 3 17
3 A 4 GLN Q - 0 0 -151.8 -158.1 -179.9 -80.2 33.9 136.1 0 0.0 0 0.0 0 0.0 0 0.0 6 17
4 A 5 PHE F S S S- 0 0 -102.0 9.6 -180.0 -0.2 105.6 73.5 0 0.0 0 0.0 0 0.0 0 0.0 5 28
5 A 6 SER S S S S- 0 0 -166.7 -159.6 -180.0 -41.7 99.4 149.7 0 0.0 0 0.0 0 0.0 0 0.0 7 33
6 A 7 TRP W h > T - 0 0 -84.0 159.0 -180.0 -114.0 50.8 117.5 0 0.0 10 -1.9 0 0.0 0 0.0 8 31
7 A 8 GLU E H H > TS+ 0 0 -59.9 -32.4 180.0 63.6 113.8 31.9 0 0.0 11 -2.2 0 0.0 0 0.0 7 22
8 A 9 GLU E H H > TS+ 0 0 -56.5 -57.7 180.0 43.6 104.1 13.1 0 0.0 12 -1.1 0 0.0 0 0.0 8 22
9 A 10 ALA A H H 4 TS+ 0 0 -55.3 -44.1 180.0 60.7 108.5 23.7 0 0.0 0 0.0 0 0.0 0 0.0 10 25
10 A 11 GLU E H H < TS+ 0 0 -48.4 -58.4 -180.0 20.1 122.1 17.4 6 -1.9 0 0.0 0 0.0 0 0.0 8 17
11 A 12 GLU E H H < TS+ 0 0 -75.8 -76.7 -180.0 58.5 119.3 12.3 7 -2.2 0 0.0 0 0.0 0 0.0 6 15
12 A 13 ASN N S h < TS- 0 0 -54.1 143.1 -180.0 -133.4 80.1 101.6 8 -1.1 0 0.0 0 0.0 0 0.0 7 16
13 A 14 GLY G S S S- 0 0 -68.9 -36.5 -180.0 -8.4 97.3 28.4 0 0.0 0 0.0 0 0.0 0 0.0 6 15
14 A 15 ALA A S S S- 0 0 -151.3 33.4 -180.0 -137.3 85.2 88.9 0 0.0 0 0.0 0 0.0 0 0.0 7 22
15 A 16 VAL V - 0 0 44.0 -120.2 -180.0 -133.7 34.1 99.0 0 0.0 0 0.0 0 0.0 0 0.0 8 20
16 A 17 GLY G h > T + 0 0 161.9 -172.6 179.9 74.1 56.3 166.5 0 0.0 20 -0.8 0 0.0 0 0.0 7 19
17 A 18 ALA A H H > TS- 0 0 60.4 168.4 179.9 -70.3 96.7 78.7 0 0.0 21 -0.9 0 0.0 0 0.0 6 15
18 A 19 ALA A H H > TS+ 0 0 -74.1 3.1 -180.0 87.4 118.3 62.8 0 0.0 22 -1.6 0 0.0 0 0.0 6 14
19 A 20 ASP D H H > > TS+ 0 0 -64.6 -79.6 -180.0 28.6 95.0 8.9 0 0.0 23 -1.5 0 0.0 22 -1.1 7 24
20 A 21 ALA A H H X 3 TS+ 0 0 -50.0 -37.9 179.9 69.5 113.4 28.8 16 -0.8 24 -5.0 0 0.0 0 0.0 10 29
21 A 22 ALA A H H X 3 TS+ 0 0 -46.4 -50.6 179.9 47.0 99.8 21.4 17 -0.9 25 -1.7 0 0.0 0 0.0 9 21
22 A 23 GLN Q H H X < TS+ 0 0 -58.8 -42.8 179.9 43.1 117.4 22.3 18 -1.6 26 -1.6 19 -1.1 0 0.0 8 25
23 A 24 LEU L H H X TS+ 0 0 -70.6 -39.5 179.9 67.9 101.8 25.7 19 -1.5 27 -4.0 0 0.0 0 0.0 8 34
24 A 25 GLN Q H H X TS+ 0 0 -45.7 -45.3 179.9 43.3 105.8 24.9 20 -5.0 28 -1.7 0 0.0 0 0.0 8 29
25 A 26 GLU E H H X TS+ 0 0 -67.6 -45.6 179.9 48.4 115.2 20.3 21 -1.7 29 -4.1 0 0.0 0 0.0 8 24
26 A 27 TRP W H H X TS+ 0 0 -58.7 -50.6 -179.8 45.4 114.2 17.5 22 -1.6 30 -1.5 0 0.0 0 0.0 8 35
27 A 28 TYR Y H H X TS+ 0 0 -63.3 -31.3 -180.0 40.8 121.2 33.9 23 -4.0 31 -1.7 0 0.0 0 0.0 10 34
28 A 29 LYS K H H X TS+ 0 0 -83.1 -53.9 -180.0 55.8 108.1 18.3 24 -1.7 32 -4.2 0 0.0 0 0.0 8 26
29 A 30 LYS K H H < TS+ 0 0 -48.0 -30.7 -179.8 36.8 119.9 35.0 25 -4.1 0 0.0 0 0.0 0 0.0 8 24
30 A 31 PHE F H H < TS+ 0 0 -91.1 -42.0 -179.9 32.8 127.7 29.7 26 -1.5 0 0.0 0 0.0 0 0.0 9 30
31 A 32 LEU L H H < TS+ 0 0 -91.4 -8.8 -179.9 77.4 103.2 55.2 27 -1.7 0 0.0 0 0.0 0 0.0 11 27
32 A 33 GLU E S h < TS+ 0 0 -65.6 -46.6 179.9 40.4 100.0 18.5 28 -4.2 0 0.0 0 0.0 0 0.0 8 17
33 A 34 GLU E S S S+ 0 0 -80.4 2.1 -180.0 29.0 132.5 62.4 0 0.0 0 0.0 0 0.0 0 0.0 6 17
34 A 35 CYS C S t > TS- 0 0 -163.7 102.0 -180.0 -138.0 80.4 131.8 0 0.0 37 -1.9 0 0.0 0 0.0 7 18
35 A 36 PRO P T T 3 TS+ 0 0 -62.3 134.6 -179.9 2.3 94.9 111.5 0 0.0 0 0.0 0 0.0 0 0.0 6 19
36 A 37 SER S T T 3 TS+ 0 0 58.7 24.5 -179.9 173.3 93.7 37.5 0 0.0 0 0.0 0 0.0 0 0.0 5 22
37 A 38 GLY G t < T - 0 0 -70.2 120.1 179.9 -164.8 11.7 121.4 34 -1.9 0 0.0 0 0.0 0 0.0 7 28
38 A 39 THR T - 0 0 -102.8 161.0 -179.9 -115.0 16.6 131.2 0 0.0 0 0.0 0 0.0 0 0.0 9 36
39 A 40 LEU L E E AA - 75 0 -95.8 156.8 180.0 -156.1 24.1 128.3 75 -1.5 75 -1.8 0 0.0 0 0.0 11 44
40 A 41 PHE F E E >AA T - 74 0 -130.1 152.3 -180.0 -106.1 35.1 160.1 0 0.0 44 -2.8 0 0.0 0 0.0 9 39
41 A 42 MET M H H > TS+ 0 0 -44.1 -32.6 -180.0 43.6 126.4 33.8 73 -0.6 45 -1.7 0 0.0 0 0.0 11 39
42 A 43 HIS H H H > TS+ 0 0 -80.3 -49.4 -179.9 48.9 111.8 20.5 0 0.0 46 -2.0 0 0.0 0 0.0 7 33
43 A 44 GLU E H H > TS+ 0 0 -62.9 -19.4 -180.0 50.7 114.8 42.1 0 0.0 47 -1.2 0 0.0 0 0.0 8 30
44 A 45 PHE F H H X TS+ 0 0 -81.9 -62.5 180.0 46.0 107.5 14.8 40 -2.8 48 -1.5 0 0.0 0 0.0 9 40
45 A 46 LYS K H H X >TS+ 0 0 -48.7 -35.9 -179.9 42.7 122.1 30.6 41 -1.7 49 -1.4 0 0.0 50 -1.4 13 35
46 A 47 ARG R H H X 5TS+ 0 0 -75.1 -74.1 -179.9 45.5 112.1 9.5 42 -2.0 50 -1.4 0 0.0 0 0.0 9 27
47 A 48 PHE F H H < 5TS+ 0 0 -46.7 -9.4 -179.9 45.8 122.7 51.1 43 -1.2 0 0.0 0 0.0 0 0.0 7 29
48 A 49 PHE F H H < 5TS- 0 0 -99.6 -74.8 -179.8 -13.4 139.1 30.6 44 -1.5 0 0.0 0 0.0 0 0.0 6 32
49 A 50 LYS K H H < 5T - 0 0 -109.1 -6.0 -180.0 -162.1 69.6 60.2 45 -1.4 0 0.0 0 0.0 0 0.0 6 28
50 A 51 VAL V h < TS+ 0 0 68.9 -34.3 -180.0 107.2 72.1 86.6 0 0.0 57 -1.2 0 0.0 0 0.0 6 31
55 A 56 GLU E T T > T + 0 0 -42.3 -39.9 179.9 66.9 67.4 30.7 53 -1.7 58 -1.4 0 0.0 57 -0.9 9 29
56 A 57 ALA A T h > 3 TS+ 0 0 -73.5 33.0 -180.0 89.1 79.3 86.4 0 0.0 60 -0.7 0 0.0 0 0.0 12 38
57 A 58 THR T H H > < TS+ 0 0 -98.6 -30.6 180.0 66.4 70.5 41.7 54 -1.2 61 -3.7 55 -0.9 0 0.0 9 38
58 A 59 GLN Q H H > < TS+ 0 0 -57.7 -43.6 179.9 48.4 102.7 23.8 55 -1.4 62 -1.4 0 0.0 0 0.0 11 40
59 A 60 TYR Y H H > > TS+ 0 0 -61.6 -59.9 179.9 36.4 119.0 8.8 0 0.0 63 -1.5 0 0.0 62 -0.7 10 48
60 A 61 VAL V H H X 3 TS+ 0 0 -59.9 -44.9 179.9 62.3 110.4 21.4 56 -0.7 64 -1.9 0 0.0 0 0.0 9 50
61 A 62 GLU E H H X 3 TS+ 0 0 -49.2 -33.9 179.9 53.5 102.9 30.4 57 -3.7 65 -1.5 0 0.0 0 0.0 10 46
62 A 63 ALA A H H X < TS+ 0 0 -67.8 -45.3 180.0 56.7 102.2 21.1 58 -1.4 66 -3.6 59 -0.7 0 0.0 9 50
63 A 64 MET M H H X TS+ 0 0 -50.4 -57.4 179.9 44.3 109.4 16.4 59 -1.5 67 -2.9 0 0.0 0 0.0 10 57
64 A 65 PHE F H H X TS+ 0 0 -57.2 -33.1 179.9 52.4 115.0 31.0 60 -1.9 68 -3.0 0 0.0 0 0.0 9 51
65 A 66 ARG R H H < TS+ 0 0 -67.7 -55.2 180.0 42.2 111.5 12.4 61 -1.5 0 0.0 0 0.0 0 0.0 9 42
66 A 67 ALA A H H < TS+ 0 0 -60.8 -34.8 -179.9 32.4 128.9 30.4 62 -3.6 0 0.0 0 0.0 0 0.0 11 47
67 A 68 PHE F H H < TS+ 0 0 -88.3 -51.5 179.8 59.2 113.2 22.6 63 -2.9 69 -1.5 0 0.0 0 0.0 8 45
68 A 69 ASP D h < T + 0 0 -81.4 92.1 -179.9 126.4 63.3 128.1 64 -3.0 0 0.0 0 0.0 0 0.0 12 42
69 A 70 THR T + 0 0 -123.7 -5.0 180.0 108.0 30.1 65.7 67 -1.5 0 0.0 0 0.0 0 0.0 8 34
70 A 71 ASN N S S S- 0 0 -43.4 -34.3 180.0 -121.2 89.0 33.2 0 0.0 0 0.0 0 0.0 0 0.0 5 29
71 A 72 GLY G S S S+ 0 0 100.1 15.2 -180.0 108.0 86.8 52.7 0 0.0 0 0.0 0 0.0 0 0.0 6 20
72 A 73 ASP D S S S- 0 0 -103.5 3.6 180.0 -132.7 78.8 68.8 0 0.0 0 0.0 0 0.0 0 0.0 6 22
73 A 74 ASN N S e S+ 0 0 63.4 -13.7 180.0 92.1 82.1 69.8 0 0.0 41 -0.6 0 0.0 0 0.0 9 26
74 A 75 THR T E E AA - 40 0 -112.7 153.5 179.9 -152.2 64.5 144.5 0 0.0 0 0.0 0 0.0 0 0.0 10 30
75 A 76 ILE I E E AA - 39 0 -127.8 111.2 -180.0 -147.8 13.4 161.4 39 -1.8 39 -1.5 0 0.0 0 0.0 13 43
76 A 77 ASP D h > T - 0 0 -73.5 160.3 -180.0 -96.5 35.2 108.7 0 0.0 80 -1.6 0 0.0 0 0.0 8 43
77 A 78 PHE F H H > TS+ 0 0 -40.6 -52.5 -179.9 59.7 120.7 28.0 0 0.0 81 -2.2 0 0.0 0 0.0 9 49
78 A 79 LEU L H H > TS+ 0 0 -43.8 -70.1 -179.9 47.5 103.6 19.6 0 0.0 82 -2.4 0 0.0 0 0.0 10 46
79 A 80 GLU E H H > TS+ 0 0 -38.7 -60.4 -180.0 50.4 112.9 24.9 0 0.0 83 -1.7 0 0.0 0 0.0 10 43
80 A 81 TYR Y H H X > TS+ 0 0 -44.1 -69.1 -179.9 49.6 108.7 18.6 76 -1.6 83 -1.6 0 0.0 84 -1.4 9 49
81 A 82 VAL V H H X 3 TS+ 0 0 -39.0 -49.9 180.0 59.8 104.9 28.9 77 -2.2 85 -1.5 0 0.0 0 0.0 8 42
82 A 83 ALA A H H X 3 TS+ 0 0 -48.9 -43.9 180.0 54.5 101.7 24.9 78 -2.4 86 -1.3 0 0.0 0 0.0 8 38
83 A 84 ALA A H H X X TS+ 0 0 -57.9 -46.0 180.0 59.4 101.2 21.1 79 -1.7 87 -0.8 80 -1.6 86 -0.6 10 41
84 A 85 LEU L H H X > TS+ 0 0 -46.6 -65.6 -179.9 47.9 103.9 16.9 80 -1.4 87 -4.1 0 0.0 88 -1.2 9 33
85 A 86 ASN N H H < 3 TS+ 0 0 -47.4 -29.6 180.0 56.0 109.9 35.5 81 -1.5 0 0.0 0 0.0 0 0.0 10 26
86 A 87 LEU L H H < < TS+ 0 0 -79.8 -10.0 180.0 3.1 133.6 52.2 82 -1.3 0 0.0 83 -0.6 0 0.0 12 29
87 A 88 VAL V H H < < TS+ 0 0 -136.8 -60.1 -179.9 60.4 122.2 58.5 84 -4.1 0 0.0 83 -0.8 0 0.0 8 33
88 A 89 LEU L S h < TS+ 0 0 -40.1 -77.3 -180.0 39.0 108.5 22.3 84 -1.2 0 0.0 0 0.0 0 0.0 8 23
89 A 90 ARG R S S S- 0 0 -69.5 173.4 -179.9 -49.9 123.1 97.5 0 0.0 0 0.0 0 0.0 0 0.0 7 18
90 A 91 GLY G - 0 0 -43.6 138.6 180.0 -138.5 61.0 95.1 0 0.0 92 -0.5 0 0.0 0 0.0 7 16
91 A 92 THR T - 0 0 -109.6 122.7 180.0 -157.4 14.8 155.9 0 0.0 0 0.0 0 0.0 0 0.0 10 23
92 A 93 LEU L t > T - 0 0 -81.1 -167.4 -180.0 -74.5 48.0 90.5 90 -0.5 95 -1.6 0 0.0 0 0.0 6 22
93 A 94 GLU E T h > > TS+ 0 0 -63.4 -18.8 -180.0 96.4 111.2 43.1 0 0.0 96 -2.9 0 0.0 97 -0.5 6 26
94 A 95 HIS H H H > > T + 0 0 -43.7 -20.6 -180.0 74.9 69.2 42.1 0 0.0 98 -1.8 0 0.0 97 -0.8 8 29
95 A 96 LYS K H H > <>TS+ 0 0 -62.2 -39.5 180.0 68.6 79.1 25.9 92 -1.6 99 -3.2 0 0.0 100 -0.6 10 42
96 A 97 LEU L H H > <5TS+ 0 0 -48.3 -36.1 -180.0 40.7 107.0 31.2 93 -2.9 100 -1.3 0 0.0 0 0.0 10 38
97 A 98 LYS K H H X <5TS+ 0 0 -78.9 -56.3 180.0 43.9 117.3 14.9 94 -0.8 101 -1.2 93 -0.5 0 0.0 10 38
98 A 99 TRP W H H X >5TS+ 0 0 -54.2 -51.5 180.0 47.6 116.7 17.9 94 -1.8 102 -2.1 0 0.0 101 -1.1 9 44
99 A 100 THR T H H X 35TS+ 0 0 -56.1 -48.0 179.8 57.8 105.6 18.8 95 -3.2 103 -1.6 0 0.0 0 0.0 8 57
100 A 101 PHE F H H X 3 > T - 0 0 -136.6 159.7 -179.9 -94.0 48.1 159.7 0 0.0 115 -1.9 0 0.0 116 -1.6 8 41
113 A 114 ARG R H H > 3 TS+ 0 0 -46.3 -13.4 -180.0 68.5 122.0 47.1 0 0.0 117 -1.7 0 0.0 0 0.0 9 44
114 A 115 GLN Q H H > 3 TS+ 0 0 -74.3 -45.1 180.0 41.6 100.7 21.1 0 0.0 118 -1.3 0 0.0 0 0.0 7 36
115 A 116 GLU E H H > < TS+ 0 0 -70.5 -32.4 -180.0 59.8 110.5 31.6 112 -1.9 119 -2.3 0 0.0 0 0.0 12 43
116 A 117 LEU L H H X TS+ 0 0 -60.5 -51.3 -179.9 43.9 107.1 16.4 112 -1.6 120 -1.8 0 0.0 0 0.0 13 52
117 A 118 LEU L H H X TS+ 0 0 -64.3 -28.9 180.0 57.8 111.9 35.0 113 -1.7 121 -1.5 0 0.0 0 0.0 11 38
118 A 119 ASP D H H X TS+ 0 0 -65.7 -61.7 -179.9 33.0 113.3 7.0 114 -1.3 122 -1.3 0 0.0 0 0.0 9 42
119 A 120 ILE I H H X > TS+ 0 0 -60.5 -59.5 -180.0 49.8 119.8 10.5 115 -2.3 123 -2.3 0 0.0 122 -1.4 10 51
120 A 121 VAL V H H X 3 TS+ 0 0 -45.6 -50.0 179.9 56.9 106.6 22.3 116 -1.8 124 -2.3 0 0.0 0 0.0 10 51
121 A 122 GLU E H H X 3 TS+ 0 0 -50.3 -36.0 179.8 49.6 107.9 28.8 117 -1.5 125 -1.8 0 0.0 0 0.0 9 42
122 A 123 SER S H H X < TS+ 0 0 -69.1 -45.7 179.9 53.9 105.7 20.2 119 -1.4 126 -1.7 118 -1.3 0 0.0 10 42
123 A 124 ILE I H H X TS+ 0 0 -58.1 -29.0 179.9 55.6 106.9 34.3 119 -2.3 127 -2.1 0 0.0 0 0.0 11 46
124 A 125 TYR Y H H X TS+ 0 0 -69.5 -49.0 179.9 51.4 103.0 17.5 120 -2.3 128 -1.2 0 0.0 0 0.0 8 42
125 A 126 LYS K H H X TS+ 0 0 -57.4 -30.2 179.9 51.8 111.9 33.8 121 -1.8 129 -1.7 0 0.0 0 0.0 11 34
126 A 127 LEU L H H X > TS+ 0 0 -69.6 -69.1 179.9 42.2 110.0 5.1 122 -1.7 129 -0.9 0 0.0 130 -0.6 13 38
127 A 128 LYS K H H < 3 TS+ 0 0 -53.1 -12.1 179.9 61.5 113.4 48.2 123 -2.1 0 0.0 0 0.0 0 0.0 10 33
128 A 129 LYS K H H < 3 TS+ 0 0 -82.5 -44.3 180.0 38.7 106.7 24.6 124 -1.2 0 0.0 0 0.0 0 0.0 10 30
129 A 130 ALA A H H < < TS+ 0 0 -88.7 13.7 180.0 95.8 104.4 74.4 125 -1.7 0 0.0 126 -0.9 0 0.0 11 26
130 A 131 CYS C S h < TS- 0 0 -83.0 -154.4 -180.0 -68.8 103.8 80.8 126 -0.6 0 0.0 0 0.0 0 0.0 8 28
131 A 132 SER S S S S+ 0 0 -90.1 30.5 179.9 47.5 114.5 88.9 0 0.0 0 0.0 0 0.0 0 0.0 6 20
132 A 133 VAL V - 0 0 -162.6 159.7 -180.0 -153.2 57.1 172.3 0 0.0 0 0.0 0 0.0 0 0.0 7 19
133 A 134 GLU E t > T - 0 0 -114.5 -9.0 -180.0 -154.5 21.9 61.6 0 0.0 136 -0.7 0 0.0 0 0.0 9 20
134 A 135 VAL V T T 3 T - 0 0 36.6 31.6 -179.9 -127.1 31.2 40.1 0 0.0 0 0.0 0 0.0 0 0.0 6 20
135 A 136 GLU E T T 3 T - 0 0 -8.2 73.8 179.9 -141.7 18.0 65.9 0 0.0 0 0.0 0 0.0 0 0.0 6 20
136 A 137 ALA A S t < TS+ 0 0 -14.6 -63.2 -179.9 46.4 88.6 47.5 133 -0.7 0 0.0 0 0.0 0 0.0 10 23
137 A 138 GLU E S t > TS+ 0 0 -54.8 -104.2 -180.0 35.7 113.8 26.0 0 0.0 139 -1.8 0 0.0 140 -0.8 7 14
138 A 139 GLN Q T T 3 TS+ 0 0 -54.6 85.5 180.0 76.2 104.1 106.2 0 0.0 0 0.0 0 0.0 0 0.0 7 11
139 A 140 GLN Q T T 3 TS- 0 0 -173.6 0.2 -180.0 -38.4 122.5 72.4 137 -1.8 0 0.0 0 0.0 0 0.0 8 12
140 A 141 GLY G S t < TS- 0 0 133.7 36.7 180.0 -60.6 103.6 55.9 137 -0.8 0 0.0 0 0.0 0 0.0 6 11
141 A 142 LYS K - 0 0 62.2 105.1 180.0 -134.6 62.4 29.5 0 0.0 0 0.0 0 0.0 0 0.0 7 13
142 A 143 LEU L - 0 0 -80.8 -178.3 -179.9 -159.6 20.2 98.8 0 0.0 0 0.0 0 0.0 0 0.0 8 18
143 A 144 LEU L - 0 0 -147.8 -172.8 179.9 -72.5 26.3 145.0 0 0.0 0 0.0 0 0.0 0 0.0 7 22
144 A 145 THR T h > > T - 0 0 -91.9 151.5 -180.0 -115.9 39.7 129.0 0 0.0 147 -1.3 0 0.0 148 -1.1 6 22
145 A 146 PRO P H H > 3 TS+ 0 0 -54.9 -23.2 -180.0 49.1 119.9 42.0 0 0.0 149 -0.5 0 0.0 0 0.0 8 29
146 A 147 GLU E H H > 3 TS+ 0 0 -91.0 -19.7 180.0 71.7 96.6 46.5 0 0.0 150 -2.2 0 0.0 0 0.0 7 25
147 A 148 GLU E H H > < TS+ 0 0 -59.3 -60.7 -180.0 49.5 95.2 9.6 144 -1.3 151 -1.7 0 0.0 0 0.0 8 27
148 A 149 VAL V H H X TS+ 0 0 -46.0 -43.7 -180.0 53.8 110.3 27.2 144 -1.1 152 -2.5 0 0.0 0 0.0 9 38
149 A 150 VAL V H H X TS+ 0 0 -58.7 -49.9 -180.0 46.6 108.5 18.0 145 -0.5 153 -2.0 0 0.0 0 0.0 12 39
150 A 151 ASP D H H X TS+ 0 0 -66.4 -16.6 180.0 55.2 111.9 44.9 146 -2.2 154 -1.5 0 0.0 0 0.0 9 35
151 A 152 ARG R H H X TS+ 0 0 -82.3 -42.8 -180.0 42.3 109.6 25.8 147 -1.7 155 -1.7 0 0.0 0 0.0 8 37
152 A 153 ILE I H H X TS+ 0 0 -74.0 -26.3 -180.0 50.4 116.8 38.0 148 -2.5 156 -1.4 0 0.0 0 0.0 10 51
153 A 154 PHE F H H X TS+ 0 0 -76.7 -52.5 -180.0 43.6 111.8 16.7 149 -2.0 157 -2.5 0 0.0 0 0.0 11 48
154 A 155 LEU L H H < TS+ 0 0 -58.1 -53.1 -179.9 45.5 117.7 15.7 150 -1.5 0 0.0 0 0.0 0 0.0 9 34
155 A 156 LEU L H H < TS+ 0 0 -56.2 -54.6 -180.0 45.1 115.9 15.7 151 -1.7 0 0.0 0 0.0 0 0.0 10 37
156 A 157 VAL V H H < TS+ 0 0 -58.9 -34.5 -180.0 49.8 119.1 30.3 152 -1.4 0 0.0 0 0.0 0 0.0 12 42
157 A 158 ASP D h < T + 0 0 -95.0 -175.7 180.0 162.4 50.2 106.5 153 -2.5 0 0.0 0 0.0 0 0.0 11 36
158 A 159 GLU E + 0 0 -171.7 -31.0 180.0 65.8 68.9 74.8 0 0.0 0 0.0 0 0.0 0 0.0 6 26
159 A 160 ASN N S S S- 0 0 -80.5 -17.4 180.0 -139.3 87.1 46.6 0 0.0 0 0.0 0 0.0 0 0.0 4 17
160 A 161 GLY G + 0 0 67.1 17.6 180.0 152.0 48.9 44.4 0 0.0 0 0.0 0 0.0 0 0.0 7 21
161 A 162 ASP D - 0 0 -50.9 -26.7 180.0 -120.9 61.3 37.0 0 0.0 0 0.0 0 0.0 0 0.0 4 20
162 A 163 GLY G S S S+ 0 0 96.4 6.4 -179.9 87.5 83.9 59.1 0 0.0 0 0.0 0 0.0 0 0.0 4 25
163 A 164 GLN Q - 0 0 -142.1 131.8 179.9 -146.2 65.1 172.0 0 0.0 165 -1.0 0 0.0 0 0.0 8 34
164 A 165 LEU L B B A - 111 0 -98.8 93.3 180.0 -173.0 26.7 139.3 111 -1.8 111 -1.9 0 0.0 0 0.0 11 45
165 A 166 SER S h > T - 0 0 -76.9 173.3 -180.0 -104.3 35.9 102.1 163 -1.0 169 -2.4 0 0.0 0 0.0 9 42
166 A 167 LEU L H H > TS+ 0 0 -62.4 -63.5 -180.0 47.0 119.7 6.1 0 0.0 170 -4.2 0 0.0 0 0.0 10 38
167 A 168 ASN N H H > TS+ 0 0 -45.3 -45.4 179.9 52.8 112.7 26.0 0 0.0 171 -2.3 0 0.0 0 0.0 6 32
168 A 169 GLU E H H > TS+ 0 0 -57.1 -52.1 180.0 34.2 118.6 16.5 0 0.0 172 -1.5 0 0.0 0 0.0 10 35
169 A 170 PHE F H H X TS+ 0 0 -68.9 -50.9 -179.9 59.9 113.1 16.6 165 -2.4 173 -2.1 0 0.0 0 0.0 12 53
170 A 171 VAL V H H X > TS+ 0 0 -42.0 -58.4 -180.0 37.0 113.7 22.5 166 -4.2 173 -0.8 0 0.0 174 -0.8 11 41
171 A 172 GLU E H H < 3>TS+ 0 0 -65.5 -32.8 180.0 51.7 118.0 30.9 167 -2.3 176 -0.5 0 0.0 0 0.0 9 32
172 A 173 GLY G H H < 35TS+ 0 0 -78.0 -11.5 180.0 43.2 115.3 50.9 168 -1.5 0 0.0 0 0.0 0 0.0 12 38
173 A 174 ALA A H H < <5TS+ 0 0 -110.1 -2.5 180.0 79.5 94.1 66.1 169 -2.1 0 0.0 170 -0.8 0 0.0 11 44
174 A 175 ARG R T h < 5TS- 0 0 -76.5 -23.2 180.0 -32.0 127.8 41.0 170 -0.8 0 0.0 0 0.0 0 0.0 8 33
175 A 176 ARG R T T >TS+ 0 0 -158.3 -59.3 180.0 154.4 79.5 75.2 0 0.0 180 -0.5 0 0.0 0 0.0 9 26
176 A 177 ASP D T T 5TS+ 0 0 -167.7 -7.5 -180.0 98.9 103.6 71.8 0 0.0 182 -1.9 0 0.0 0 0.0 7 28
179 A 180 VAL V H H > 5TS+ 0 0 -59.7 -39.7 180.0 52.6 86.6 26.0 0 0.0 183 -1.4 0 0.0 0 0.0 14 41
180 A 181 MET M H H > TS+ 0 0 -39.3 -54.1 -179.9 40.8 120.8 27.4 0 0.0 185 -1.7 0 0.0 0 0.0 8 27
182 A 183 MET M H H < > TS+ 0 0 -60.8 -81.2 -179.9 40.1 118.2 9.4 178 -1.9 185 -1.7 0 0.0 0 0.0 7 42
183 A 184 LEU L H H < 3 TS+ 0 0 -39.3 -33.2 -179.9 62.2 112.5 37.6 179 -1.4 0 0.0 0 0.0 0 0.0 7 54
184 A 185 GLN Q H H < 3 TS+ 0 0 -62.7 -45.9 180.0 169.5 71.5 20.7 180 -3.2 186 -2.7 0 0.0 0 0.0 8 46
185 A 186 MET M S h < < TS+ 0 0 69.2 -73.2 -179.9 51.0 70.4 111.7 182 -1.7 0 0.0 181 -1.7 0 0.0 7 37
186 A 187 ASP D S S S+ 0 0 -59.5 -58.1 -180.0 174.1 70.1 12.6 184 -2.7 188 -2.0 0 0.0 0 0.0 5 31
187 A 188 LEU L S S S- 0 0 78.6 -50.6 179.9 -53.2 72.3 102.9 0 0.0 0 0.0 0 0.0 0 0.0 6 21
188 A 189 ASN N 0 0 176.9 -51.1 -179.9 999.9 999.9 86.3 186 -2.0 0 0.0 0 0.0 0 0.0 3 14
189 A 190 PRO P 0 0 -63.6 999.9 999.9 999.9 999.9 120.9 0 0.0 0 0.0 0 0.0 0 0.0 3 12
1jbaA.pdb
1JBA LYASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SS HHHHHSSS HHHHHHHHHHHHHHHSSSTT EEHHHHHHHHH SSSTTHHHHHHHHHHH SSSSEE HHHHHHHHHHHSS THHHHHHH Kabs/Sand
chirality -----+++++----+-++++++++++++++++-++----+++++++----+-++++++++++++++++-+-+---++++++++++++----++++++++ chirality
bends SS SSSSSSSS SSSSSSSSSSSSSSSSSSSS SSSSSSSS SSS SSSSSSSSSSSS SSSS SSSSSSSSSSSSS S SSSSSS bends
turns TTTTTTT TTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTT TTTTTTTTTTTTTTT TTTTTTTTTTTTT TTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >>3<<>33< >33X>3<< >>><<<>33 3-turns
bridge-2 bridge-2
bridge-1 AA AA bridge-1
sheets AA AA sheets
4-turns >>>4<<< >>>>XXXXXXXXX<<<< >>>>XXX<<<< >>>>XXXXX<<<< >>>>XXXXX<<<< >>>>XXXX 4-turns
summary SShHHHHHhSS hHHHHHHHHHHHHHHHhStTTt EEHHHHHHHHHh SStThHHHHHHHHHHHh SSSeEEhHHHHHHHHHHHhS thHHHHHHH summary
sequence GQQFSWEEAEENGAVGAADAAQLQEWYKKFLEECPSGTLFMHEFKRFFKVPDNEEATQYVEAMFRAFDTNGDNTIDFLEYVAALNLVLRGTLEHKLKWTF sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHH SS SS B HHHHHHHHHHHHHHHHHSS TTSSTTS HHHHHHHHHHHH S S B HHHHHHHHTTTTTHHHHHHSSS Kabs/Sand
chirality +++++-+-+---+++++++++++++++++-+----+++------++++++++++++++-+-+---++++++++-+--+++++++++- chirality
bends SSS SS SS SSSSSSSSSSSSSSSSSSS SSSSS SSSSSSSSSSSS S S SSSSSSSSSS SSSSSSSSSSS bends
turns TTTT TTTTTTTTTTTTTTTTTTT TTTTTTTT TTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTT turns
5-turns >555><555< 5-turns
3-turns < >33< >33< >33< >33<>33< >33< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 A A bridge-1
sheets sheets
4-turns <<<< >>>>XXXXXXXXXXX<<<< >>>>XXXXXX<<<< >>>>XX<<<< >>>><<<< 4-turns
summary HHHhSS SS BhHHHHHHHHHHHHHHHHHhS tTTttTTt hHHHHHHHHHHHHh S S BhHHHHHHHHhTTThHHHHHHhSS summary
sequence KIYDKDRNGCIDRQELLDIVESIYKLKKACSVEVEAEQQGKLLTPEEVVDRIFLLVDENGDGQLSLNEFVEGARRDKWVMKMLQMDLNP sequence
110 120 130 140 150 160 170 180