Secondary structure calculation program - copyright by David Keith Smith, 1989
1jvwA.pdb
1JVW ISOMERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 160
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 33 ALA A t > T 0 0 999.9 158.3 -172.6 999.9 999.9 999.9 0 0.0 4 -1.9 0 0.0 0 0.0 3 8
2 A 34 ALA A T T 3 T + 0 0 -53.3 -41.7 -173.7 37.5 999.9 32.5 0 0.0 0 0.0 0 0.0 0 0.0 4 8
3 A 35 SER S T h > 3 TS+ 0 0 -98.1 11.4 -177.8 103.7 87.7 69.6 0 0.0 7 -2.5 0 0.0 0 0.0 6 10
4 A 36 HIS H H H > < TS+ 0 0 -58.8 -48.8 -178.1 49.2 78.4 23.9 1 -1.9 8 -2.7 0 0.0 0 0.0 7 12
5 A 37 GLU E H H > TS+ 0 0 -59.1 -47.4 178.4 48.7 112.6 18.7 0 0.0 9 -2.4 0 0.0 0 0.0 7 18
6 A 38 GLU E H H > TS+ 0 0 -55.8 -50.3 -174.6 46.7 113.1 17.0 0 0.0 10 -2.5 0 0.0 0 0.0 7 18
7 A 39 ARG R H H X TS+ 0 0 -65.6 -38.4 178.6 50.7 111.5 26.4 3 -2.5 11 -2.1 0 0.0 0 0.0 8 18
8 A 40 MET M H H X TS+ 0 0 -63.9 -39.6 -178.9 46.7 112.2 24.6 4 -2.7 12 -2.6 0 0.0 0 0.0 8 22
9 A 41 ASN N H H X TS+ 0 0 -75.0 -29.3 171.9 56.6 108.0 30.9 5 -2.4 13 -2.7 0 0.0 0 0.0 10 28
10 A 42 ASN N H H X TS+ 0 0 -61.9 -41.5 175.4 47.0 109.1 22.5 6 -2.5 14 -2.0 0 0.0 0 0.0 8 24
11 A 43 TYR Y H H X TS+ 0 0 -60.4 -50.0 179.7 50.7 112.0 18.0 7 -2.1 15 -2.5 0 0.0 0 0.0 8 24
12 A 44 ARG R H H X TS+ 0 0 -57.1 -44.8 179.5 48.7 110.2 23.5 8 -2.6 16 -1.9 0 0.0 0 0.0 11 35
13 A 45 LYS K H H X TS+ 0 0 -65.3 -36.4 180.0 50.9 111.6 25.6 9 -2.7 17 -2.3 0 0.0 0 0.0 10 36
14 A 46 ARG R H H X TS+ 0 0 -66.9 -53.6 -178.4 37.9 115.0 15.0 10 -2.0 18 -2.5 0 0.0 0 0.0 8 26
15 A 47 VAL V H H X TS+ 0 0 -70.8 -25.4 177.7 54.2 116.8 31.1 11 -2.5 19 -2.2 0 0.0 0 0.0 8 30
16 A 48 GLY G H H X TS+ 0 0 -70.6 -40.0 178.0 47.4 109.5 21.1 12 -1.9 20 -2.2 0 0.0 0 0.0 13 45
17 A 49 ARG R H H X TS+ 0 0 -66.1 -39.4 174.9 55.1 108.8 25.1 13 -2.3 21 -2.7 0 0.0 0 0.0 9 38
18 A 50 LEU L H H X TS+ 0 0 -55.2 -50.0 177.9 49.7 107.9 19.0 14 -2.5 22 -2.6 0 0.0 0 0.0 8 30
19 A 51 PHE F H H X TS+ 0 0 -53.9 -51.7 -176.4 45.6 112.8 18.1 15 -2.2 23 -2.2 0 0.0 0 0.0 10 39
20 A 52 MET M H H X TS+ 0 0 -63.3 -40.9 -175.3 50.0 112.9 26.1 16 -2.2 24 -2.4 0 0.0 0 0.0 12 47
21 A 53 GLU E H H X TS+ 0 0 -70.1 -40.4 178.1 48.1 110.8 20.6 17 -2.7 25 -1.5 0 0.0 0 0.0 8 34
22 A 54 GLN Q H H X TS+ 0 0 -64.6 -38.4 179.7 48.4 113.4 26.2 18 -2.6 26 -0.5 0 0.0 0 0.0 8 32
23 A 55 LYS K H H < > TS+ 0 0 -68.1 -37.4 -180.0 50.1 110.8 28.0 19 -2.2 26 -0.8 0 0.0 0 0.0 10 39
24 A 56 ALA A H H < 3 TS+ 0 0 -69.3 -26.2 -177.7 65.5 101.1 38.6 20 -2.4 0 0.0 0 0.0 0 0.0 11 37
25 A 57 ALA A H H < 3 TS+ 0 0 -74.4 -17.4 170.0 110.8 73.2 50.5 21 -1.5 0 0.0 0 0.0 0 0.0 7 23
26 A 58 GLN Q S h < X TS- 0 0 -55.5 129.1 -167.2 -128.4 76.9 111.2 23 -0.8 29 -2.0 22 -0.5 0 0.0 7 25
27 A 59 PRO P T T 3 TS+ 0 0 -63.0 -27.7 -179.8 43.3 105.9 36.2 0 0.0 0 0.0 0 0.0 0 0.0 5 21
28 A 60 ASP D T e 3 TS+ 0 0 -100.1 5.4 171.9 105.6 90.5 68.2 0 0.0 40 -0.5 0 0.0 0 0.0 6 30
29 A 61 ALA A E E AA < T - 39 0 -80.3 141.8 -180.0 -149.4 59.9 130.5 26 -2.0 0 0.0 0 0.0 0 0.0 12 39
30 A 62 VAL V E E AA - 38 0 -116.2 125.8 -179.9 -154.1 3.0 162.5 38 -3.0 38 -2.1 0 0.0 32 -0.5 10 43
31 A 63 LYS K E E AA - 37 0 -102.8 124.6 178.9 -153.4 9.7 150.4 0 0.0 0 0.0 0 0.0 0 0.0 11 42
32 A 64 LEU L e > T - 0 0 -90.6 158.5 -179.6 -105.7 31.6 125.3 36 -3.3 35 -2.1 30 -0.5 0 0.0 8 46
33 A 65 PRO P T T 3 TS+ 0 0 -53.3 -31.7 178.2 62.0 118.6 38.5 0 0.0 0 0.0 0 0.0 0 0.0 6 29
34 A 66 SER S T T 3 TS- 0 0 -64.2 -24.8 -170.7 -104.3 121.6 43.2 0 0.0 0 0.0 0 0.0 0 0.0 4 33
35 A 67 GLY G S t < TS+ 0 0 113.1 -15.9 178.5 138.2 76.9 79.8 32 -2.1 0 0.0 0 0.0 0 0.0 9 44
36 A 68 LEU L e - 0 0 -64.1 135.9 176.6 -163.5 35.0 115.7 0 0.0 32 -3.3 0 0.0 0 0.0 13 56
37 A 69 VAL V E E AAB - 31 107 -119.5 138.6 175.8 -178.1 9.1 164.4 107 -1.9 107 -3.0 0 0.0 0 0.0 13 56
38 A 70 PHE F E E AAB - 30 106 -138.8 159.6 177.1 -161.9 18.1 166.6 30 -2.1 30 -3.0 0 0.0 0 0.0 11 58
39 A 71 GLN Q E E AAB - 29 105 -132.1 127.6 -178.3 -125.7 27.0 178.7 105 -2.4 105 -2.9 0 0.0 0 0.0 10 45
40 A 72 ARG R E E A B + 0 104 -83.8 133.5 178.0 173.4 28.3 128.7 28 -0.5 0 0.0 0 0.0 0 0.0 11 43
41 A 73 ILE I E E A * S+ 0 0 -98.7 -40.2 176.4 3.1 73.0 37.8 103 -3.5 0 0.0 0 0.0 0 0.0 8 34
42 A 74 ALA A E E A B - 0 103 -147.2 144.9 174.0 -132.1 65.3 176.0 103 -2.3 103 -2.2 0 0.0 44 -0.6 8 28
43 A 75 ARG R - 0 0 -98.7 124.6 -178.2 -149.4 27.4 152.1 0 0.0 0 0.0 0 0.0 0 0.0 8 34
44 A 76 GLY G - 0 0 -87.0 165.2 -178.6 -133.5 14.9 111.9 42 -0.6 0 0.0 0 0.0 0 0.0 9 38
45 A 77 SER S + 0 0 -103.2 5.4 179.8 130.4 59.1 68.6 0 0.0 0 0.0 0 0.0 0 0.0 8 30
46 A 78 GLY G - 0 0 -61.5 152.4 -173.4 -146.8 51.1 99.1 100 -2.2 0 0.0 0 0.0 0 0.0 9 38
47 A 79 LYS K S S S+ 0 0 -95.6 -17.1 -172.1 41.1 74.3 50.5 0 0.0 147 -2.0 0 0.0 0 0.0 8 34
48 A 80 ARG R B B A - 146 0 -139.5 142.9 168.5 -138.5 64.3 170.1 0 0.0 100 -0.6 0 0.0 0 0.0 14 41
49 A 81 ALA A - 0 0 -86.8 155.0 177.8 -94.3 44.3 129.5 145 -2.7 144 -2.3 0 0.0 0 0.0 18 54
50 A 82 PRO P - 0 0 -67.1 145.1 162.5 -123.4 33.4 115.5 0 0.0 0 0.0 0 0.0 0 0.0 19 50
51 A 83 ALA A t > T - 0 0 -71.3 168.8 -174.0 -91.4 41.7 110.2 0 0.0 54 -1.9 0 0.0 0 0.0 11 41
52 A 84 ILE I T T 3 TS+ 0 0 -57.9 -26.9 -175.1 39.3 127.8 40.5 0 0.0 85 -1.9 0 0.0 0 0.0 10 37
53 A 85 ASP D T T 3 TS+ 0 0 -110.6 12.7 178.9 120.8 86.0 77.8 0 0.0 0 0.0 0 0.0 0 0.0 8 34
54 A 86 ASP D t < T - 0 0 -79.5 140.1 174.3 -120.8 65.4 126.0 51 -1.9 0 0.0 0 0.0 0 0.0 12 39
55 A 87 LYS K e - 0 0 -77.7 124.4 -179.6 -166.6 35.0 131.0 0 0.0 139 -2.6 0 0.0 0 0.0 11 38
56 A 88 CYS C E E ACD - 82 138 -112.0 142.1 166.2 -137.3 21.2 153.9 82 -3.3 82 -2.5 0 0.0 58 -0.6 14 49
57 A 89 GLU E E E ACD - 81 137 -92.6 120.4 -172.8 -180.0 36.6 154.2 137 -2.7 136 -2.5 0 0.0 137 -1.1 12 49
58 A 90 VAL V E E ACD - 80 135 -129.2 130.5 166.3 -158.9 27.7 167.3 80 -2.5 80 -2.4 56 -0.6 0 0.0 13 54
59 A 91 HIS H E E A D + 0 134 -100.4 129.8 -176.2 158.1 36.7 160.6 134 -2.1 134 -3.2 0 0.0 0 0.0 14 44
60 A 92 TYR Y E E A D - 0 133 -149.9 160.4 166.0 -155.6 37.1 169.3 0 0.0 73 -1.7 0 0.0 74 -1.1 12 48
61 A 93 THR T E E AED - 72 132 -132.2 132.1 177.5 -157.1 15.6 173.7 132 -1.5 132 -2.1 0 0.0 0 0.0 12 41
62 A 94 GLY G E E AED + 71 131 -111.9 127.7 -179.0 177.3 16.8 161.8 71 -3.1 70 -2.2 0 0.0 71 -1.2 12 46
63 A 95 A ARG R E E AED - 69 130 -124.7 151.6 166.1 -124.5 25.3 157.4 130 -3.3 130 -2.8 0 0.0 0 0.0 13 42
64 A 96 LEU L e > T - 0 0 -77.9 174.4 179.7 -89.4 47.3 109.5 68 -2.4 67 -2.3 0 0.0 0 0.0 13 44
65 A 97 ARG R T T 3 TS+ 0 0 -56.9 -25.6 -177.9 52.6 129.6 41.7 0 0.0 0 0.0 0 0.0 0 0.0 11 45
66 A 98 ASP D T T 3 TS- 0 0 -96.4 6.6 176.6 -101.2 124.1 68.6 0 0.0 0 0.0 0 0.0 0 0.0 5 29
67 A 99 GLY G S t < TS+ 0 0 98.9 -13.5 -176.5 148.9 70.6 75.7 64 -2.3 0 0.0 0 0.0 0 0.0 6 28
68 A 100 THR T e - 0 0 -59.3 120.8 177.3 -132.4 45.0 111.7 0 0.0 64 -2.4 0 0.0 0 0.0 7 24
69 A 101 A VAL V E E AE + 63 0 -77.5 124.2 176.4 172.9 29.9 130.0 0 0.0 0 0.0 0 0.0 0 0.0 9 28
70 A 102 PHE F E E A* + 0 0 -103.9 -12.1 179.8 7.4 68.8 57.8 62 -2.2 0 0.0 0 0.0 0 0.0 9 31
71 A 103 ASP D E E AE + 62 0 -166.0 142.0 178.5 171.0 61.6 158.3 62 -1.2 62 -3.1 0 0.0 0 0.0 7 35
72 A 104 SER S E E >AE T - 61 0 -162.0 123.8 175.2 -163.6 26.4 144.3 0 0.0 76 -0.6 0 0.0 0 0.0 11 31
73 A 105 SER S H H > >TS+ 0 0 -72.4 -27.2 178.3 64.3 96.6 41.0 60 -1.7 78 -1.3 0 0.0 77 -0.5 12 27
74 A 106 ARG R H H 4 >5TS+ 0 0 -66.2 -33.9 176.6 54.0 97.1 24.0 60 -1.1 77 -1.1 0 0.0 0 0.0 10 26
75 A 107 GLU E H H 4 35TS+ 0 0 -67.7 -21.0 177.2 52.7 107.7 40.7 0 0.0 0 0.0 0 0.0 0 0.0 5 20
76 A 108 ARG R H H < 35TS- 0 0 -89.5 -7.8 173.7 -127.2 111.4 58.2 72 -0.6 0 0.0 0 0.0 0 0.0 7 18
77 A 109 GLY G T h < <5TS+ 0 0 74.2 15.1 173.5 64.3 78.4 52.0 74 -1.1 0 0.0 73 -0.5 0 0.0 6 17
78 A 110 LYS K S t > T - 0 0 -94.9 141.6 177.8 -123.3 31.3 150.4 0 0.0 86 -2.4 0 0.0 87 -0.6 11 43
84 A 116 PRO P G G 4 > TS+ 0 0 -54.2 -31.3 179.6 56.4 112.3 30.4 0 0.0 87 -0.8 0 0.0 0 0.0 17 42
85 A 117 ASN N G G 4 3 TS+ 0 0 -79.6 2.6 -175.8 60.2 100.0 62.1 52 -1.9 0 0.0 0 0.0 0 0.0 7 27
86 A 118 GLU E G G 4 < TS+ 0 0 -99.1 -17.1 -167.7 62.6 98.9 52.3 83 -2.4 0 0.0 0 0.0 0 0.0 7 28
87 A 119 VAL V S g < < TS- 0 0 -110.1 175.8 178.3 -63.7 96.4 115.3 84 -0.8 0 0.0 83 -0.6 0 0.0 9 40
88 A 120 ILE I h > > T - 0 0 -60.8 156.1 -172.9 -103.6 54.8 99.1 0 0.0 92 -2.3 0 0.0 91 -0.8 9 43
89 A 121 LYS K H H > 3 TS+ 0 0 -52.7 -40.6 179.1 55.7 118.4 38.1 0 0.0 93 -2.2 0 0.0 0 0.0 8 41
90 A 122 GLY G H H > 3 TS+ 0 0 -62.3 -40.0 175.7 45.3 111.4 28.0 112 -2.3 94 -2.1 0 0.0 0 0.0 10 49
91 A 123 TRP W H H > < TS+ 0 0 -66.9 -43.6 -177.4 56.8 108.4 25.7 88 -0.8 95 -3.1 0 0.0 0 0.0 9 64
92 A 124 THR T H H X TS+ 0 0 -56.1 -44.2 178.7 42.1 112.1 22.6 88 -2.3 96 -1.1 0 0.0 0 0.0 13 49
93 A 125 GLU E H H < TS+ 0 0 -66.2 -48.6 -174.3 47.1 116.4 19.9 89 -2.2 0 0.0 0 0.0 0 0.0 9 51
94 A 126 ALA A H H < > TS+ 0 0 -65.0 -45.4 -174.5 55.3 106.8 24.9 90 -2.1 97 -2.3 0 0.0 0 0.0 9 69
95 A 127 LEU L H H < > TS+ 0 0 -60.0 -36.4 -178.8 57.7 102.2 27.5 91 -3.1 98 -1.8 0 0.0 0 0.0 11 73
96 A 128 GLN Q T h < 3 TS+ 0 0 -73.6 1.5 175.5 49.1 107.8 62.5 92 -1.1 0 0.0 0 0.0 0 0.0 13 62
97 A 129 LEU L T T < TS+ 0 0 -118.3 11.0 -179.5 87.3 99.4 79.7 94 -2.3 0 0.0 0 0.0 0 0.0 10 68
98 A 130 MET M t < T - 0 0 -116.7 144.0 176.6 -160.0 56.7 151.9 95 -1.8 0 0.0 0 0.0 0 0.0 12 67
99 A 131 ARG R t > T - 0 0 -112.7 167.6 175.9 -65.9 45.4 134.7 0 0.0 102 -2.6 0 0.0 0 0.0 14 56
100 A 132 GLU E T T 3 TS+ 0 0 -51.1 127.8 178.2 20.4 125.1 108.4 48 -0.6 46 -2.2 0 0.0 0 0.0 14 49
101 A 133 GLY G T T 3 TS+ 0 0 93.9 -14.5 175.5 132.7 89.9 79.4 135 -3.1 0 0.0 0 0.0 0 0.0 13 39
102 A 134 ASP D e < T - 0 0 -66.7 140.9 171.4 -169.1 35.1 117.9 99 -2.6 135 -2.6 0 0.0 0 0.0 15 46
103 A 135 ARG R E E ABF + 42 134 -133.5 121.6 -174.4 175.5 11.8 169.1 42 -2.2 41 -3.5 0 0.0 42 -2.3 13 45
104 A 136 TRP W E E ABF - 40 133 -127.0 146.2 164.2 -136.1 31.1 161.8 133 -2.6 133 -3.1 0 0.0 106 -0.5 12 52
105 A 137 ARG R E E ABF - 39 132 -94.1 124.5 177.3 -159.1 29.8 153.6 39 -2.9 39 -2.4 0 0.0 0 0.0 12 54
106 A 138 LEU L E E ABF - 38 131 -105.6 135.3 167.2 -163.2 14.2 158.8 131 -2.9 131 -2.4 104 -0.5 108 -0.5 14 63
107 A 139 PHE F E E ABF - 37 130 -113.9 113.3 -166.3 -167.7 18.3 167.6 37 -3.0 37 -1.9 0 0.0 0 0.0 13 61
108 A 140 ILE I E E A F - 0 129 -112.5 115.2 -178.5 -137.6 14.0 153.4 129 -3.0 129 -2.4 106 -0.5 0 0.0 14 61
109 A 141 PRO P g > T - 0 0 -70.1 157.9 -169.4 -103.7 33.6 109.4 0 0.0 112 -2.0 0 0.0 0 0.0 13 56
110 A 142 TYR Y G G >>TS+ 0 0 -55.4 -35.4 -173.5 62.1 117.6 37.2 0 0.0 115 -2.4 0 0.0 113 -1.9 13 50
111 A 143 ASP D G G 35TS+ 0 0 -69.8 -15.4 174.6 42.7 108.7 45.2 0 0.0 0 0.0 0 0.0 0 0.0 8 40
112 A 144 LEU L G G <5TS+ 0 0 -107.1 11.9 179.2 41.3 123.1 78.2 109 -2.0 90 -2.3 0 0.0 0 0.0 12 46
113 A 145 ALA A T g <5TS- 0 0 -122.1 -114.6 -177.7 -35.4 130.2 76.9 110 -1.9 0 0.0 0 0.0 0 0.0 13 50
114 A 146 TYR Y T T > 5TS- 0 0 -106.0 8.6 167.0 -163.9 80.3 69.5 0 0.0 118 -1.8 0 0.0 0 0.0 14 41
115 A 147 GLY G T T 4 T - 0 0 -74.4 168.3 172.0 -66.9 33.7 102.8 0 0.0 127 -0.6 0 0.0 0 0.0 10 38
125 A 157 PRO P T T 3 TS+ 0 0 -44.2 144.2 170.0 16.0 116.8 100.1 0 0.0 0 0.0 0 0.0 0 0.0 13 37
126 A 158 TYR Y T T 3 TS+ 0 0 59.5 40.0 -178.9 158.0 86.5 33.8 115 -2.1 0 0.0 0 0.0 0 0.0 15 43
127 A 159 SER S t < T - 0 0 -97.9 122.3 165.3 -148.6 33.8 148.9 124 -0.6 0 0.0 0 0.0 0 0.0 17 53
128 A 160 PRO P - 0 0 -74.9 156.2 178.5 -143.0 22.6 124.7 0 0.0 0 0.0 0 0.0 0 0.0 15 59
129 A 161 LEU L E E A F - 0 108 -122.6 144.5 172.1 -151.8 9.8 161.2 108 -2.4 108 -3.0 0 0.0 0 0.0 14 62
130 A 162 GLU E E E ADF - 63 107 -110.9 129.0 175.5 -179.3 19.7 162.1 63 -2.8 63 -3.3 0 0.0 0 0.0 12 58
131 A 163 PHE F E E ADF - 62 106 -124.9 143.0 164.1 -152.8 26.1 169.3 106 -2.4 106 -2.9 0 0.0 133 -0.6 11 57
132 A 164 ASP D E E ADF - 61 105 -102.3 109.3 -173.3 -173.2 31.2 169.6 61 -2.1 61 -1.5 0 0.0 134 -0.5 11 51
133 A 165 VAL V E E ADF - 60 104 -116.0 118.3 173.7 -172.8 14.9 163.3 104 -3.1 104 -2.6 131 -0.6 135 -0.5 12 60
134 A 166 GLU E E E ADF - 59 103 -108.9 120.0 176.9 -149.0 15.4 162.3 59 -3.2 59 -2.1 132 -0.5 136 -1.0 11 53
135 A 167 LEU L E E AD + 58 0 -87.4 104.2 -170.8 174.5 22.1 138.9 102 -2.6 101 -3.1 133 -0.5 0 0.0 16 58
136 A 168 A ILE I E E A* - 0 0 -80.5 -45.7 -176.5 -28.3 55.5 20.7 57 -2.5 0 0.0 134 -1.0 0 0.0 11 48
137 A 169 SER S E E AD - 57 0 -164.4 165.1 180.0 -133.3 50.3 165.6 57 -1.1 57 -2.7 0 0.0 0 0.0 10 44
138 A 170 ILE I E E AD > T - 56 0 -133.5 137.2 179.6 -99.6 35.9 174.2 0 0.0 141 -2.7 0 0.0 0 0.0 13 45
139 A 171 LYS K G e > TS+ 0 0 -55.7 129.3 178.9 1.9 111.0 107.3 55 -2.6 142 -1.4 0 0.0 0 0.0 8 34
140 A 172 ASP D G G 3 TS- 0 0 65.4 17.0 177.2 -74.0 127.3 47.7 0 0.0 0 0.0 0 0.0 0 0.0 5 26
141 A 173 GLY G G G < TS- 0 0 78.8 -0.4 177.3 -63.0 89.8 67.3 138 -2.7 0 0.0 0 0.0 0 0.0 7 35
142 A 174 GLY G g < T - 0 0 101.2 132.5 179.3 -151.3 34.3 73.3 139 -1.4 0 0.0 0 0.0 0 0.0 11 41
143 A 175 LYS K + 0 0 -124.2 18.7 178.8 86.0 67.8 82.1 0 0.0 0 0.0 0 0.0 0 0.0 10 32
144 A 176 GLY G S S S- 0 0 -95.5 -145.2 -176.2 -18.8 86.3 78.7 49 -2.3 0 0.0 0 0.0 0 0.0 10 39
145 A 177 ARG R - 0 0 -59.4 153.9 173.4 -112.3 67.1 96.1 0 0.0 49 -2.7 0 0.0 0 0.0 12 34
146 A 178 THR T B h > A T - 48 0 -82.1 159.6 175.0 -111.6 27.0 122.6 0 0.0 150 -2.9 0 0.0 0 0.0 9 30
147 A 179 ALA A H H > TS+ 0 0 -51.8 -41.1 -177.4 53.2 121.4 23.2 47 -2.0 151 -3.1 0 0.0 0 0.0 11 34
148 A 180 GLU E H H > TS+ 0 0 -65.9 -39.1 174.4 47.8 109.2 23.8 0 0.0 152 -1.7 0 0.0 0 0.0 6 26
149 A 181 GLU E H H > TS+ 0 0 -63.8 -48.1 174.4 48.8 112.9 20.1 0 0.0 153 -2.2 0 0.0 0 0.0 8 27
150 A 182 VAL V H H X TS+ 0 0 -54.7 -49.9 -174.5 50.7 110.2 17.6 146 -2.9 154 -2.6 0 0.0 0 0.0 12 38
151 A 183 ASP D H H X TS+ 0 0 -64.5 -31.8 -179.5 51.5 108.8 28.8 147 -3.1 155 -2.6 0 0.0 0 0.0 8 34
152 A 184 GLU E H H X TS+ 0 0 -73.1 -37.8 175.5 49.5 109.6 22.6 148 -1.7 156 -2.0 0 0.0 0 0.0 8 24
153 A 185 ILE I H H X TS+ 0 0 -60.7 -43.7 -179.4 45.3 114.7 20.8 149 -2.2 157 -2.0 0 0.0 0 0.0 8 32
154 A 186 LEU L H H X TS+ 0 0 -65.8 -42.2 178.7 54.6 109.4 24.7 150 -2.6 158 -2.4 0 0.0 0 0.0 8 38
155 A 187 ARG R H H X TS+ 0 0 -58.1 -43.1 -179.9 45.7 110.9 24.4 151 -2.6 159 -1.9 0 0.0 0 0.0 8 24
156 A 188 LYS K H H X TS+ 0 0 -69.6 -38.5 177.0 52.6 111.1 29.2 152 -2.0 160 -1.7 0 0.0 0 0.0 8 18
157 A 189 ALA A H H < TS+ 0 0 -60.6 -43.8 -178.7 50.7 108.5 25.1 153 -2.0 0 0.0 0 0.0 0 0.0 11 28
158 A 190 GLU E H H < TS+ 0 0 -60.6 -45.4 -177.7 48.1 111.8 22.5 154 -2.4 0 0.0 0 0.0 0 0.0 8 28
159 A 191 GLU E H H < T 0 0 -71.1 -26.1 178.0 999.9 999.9 41.7 155 -1.9 0 0.0 0 0.0 0 0.0 5 16
160 A 192 ASP D h < T 0 0 -82.5 999.9 999.9 999.9 999.9 69.1 156 -1.7 0 0.0 0 0.0 0 0.0 4 19
1jvwA.pdb
1JVW ISOMERASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand TTHHHHHHHHHHHHHHHHHHHHHHSTTEEE TTS EEEEEE SB TT EEEEEEEE TTS EEEEHHHHTS EEE GGGS HHHHHHHTT T Kabs/Sand
chirality ++++++++++++++++++++++++-++----+-+----++---+-+----++-----+--+--+-+-+++-+++-+---+--+++--+++++++++--+ chirality
bends SSSSSSSSSSSSSSSSSSSSSSSSSS SSS S S SS SSS SSSSSS SSSS SSSSSSSSS S bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTT TTTT TTTTTTT TTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33X33< >33< >33< >33< >33< >>3<<>33< >>3<<>3 3-turns
bridge-2 BBBB*B DDDDDDDD bridge-2
bridge-1 AAA AAA A CCC EEE E*EE CCC bridge-1
sheets AAA AAAAAA AAAAAAAA AAAA AAA sheets
4-turns >>>>XXXXXXXXXXXXXXXX<<<< >>44<< >444<>>>>X<<<< 4-turns
summary tThHHHHHHHHHHHHHHHHHHHHHHhTeEEEeTTteEEEEEE SB tTTteEEEEEEEEeTTteEEEEHHHHht EEEgGGGghHHHHHHHhTttT summary
sequence AASHEERMNNYRKRVGRLFMEQKAAQPDAVKLPSGLVFQRIARGSGKRAPAIDDKCEVHYTGRLRDGTVFDSSRERGKPTTFRPNEVIKGWTEALQLMRE sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand T EEEEEE GGGTTTTT SSSSS TT EEEEEEEEEEGGG S BHHHHHHHHHHHHH Kabs/Sand
chirality +-+------+++---+---+-+--++--------+---+---+---++++++++++++ chirality
bends S SSSSS SS SSSSS SS SSS S SSSSSSSSSSSS bends
turns TT TTTTTTTTTT TTTT TTTTT TTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns 3< >>3<< >33< >>3<< 3-turns
bridge-2 FFFFFF FFFFFF bridge-2
bridge-1 BBBBB DDDDDD*DD A bridge-1
sheets AAAAAA AAAAAAAAAA sheets
4-turns >444< >>>>XXXXXXX<<<< 4-turns
summary TeEEEEEEgGGGgTTTTtSSSSStTTt EEEEEEEEEEeGGg S hHHHHHHHHHHHHHh summary
sequence GDRWRLFIPYDLAYGVTGGGGMIPPYSPLEFDVELISIKDGGKGRTAEEVDEILRKAEED sequence
110 120 130 140 150 160