Secondary structure calculation program - copyright by David Keith Smith, 1989
1j90A.pdb
1J90 TRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 195
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 18 THR T 0 0 999.9 -11.6 -178.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 22
2 A 19 GLN Q - 0 0 -112.9 134.8 176.1 -149.6 999.9 154.0 0 0.0 0 0.0 0 0.0 0 0.0 7 32
3 A 20 PRO P - 0 0 -83.2 -176.4 178.2 -44.9 55.3 99.4 0 0.0 0 0.0 0 0.0 0 0.0 9 30
4 A 21 PHE F E E Aa - 83 0 -53.4 122.2 -177.0 -157.6 69.6 108.8 82 -0.6 84 -3.3 0 0.0 0 0.0 10 35
5 A 22 THR T E E Aa - 84 0 -117.0 136.5 177.7 -165.2 15.9 155.4 0 0.0 131 -2.1 0 0.0 132 -1.5 13 47
6 A 23 VAL V E E Aab - 85 132 -118.3 125.9 178.4 -154.8 8.7 166.2 84 -3.2 86 -3.1 0 0.0 8 -0.5 13 52
7 A 24 LEU L E E Aab - 86 133 -101.3 125.0 177.8 -150.7 6.2 151.4 132 -2.4 134 -2.3 0 0.0 9 -0.7 13 56
8 A 25 ILE I E E Aab + 87 134 -96.7 118.2 -177.8 178.9 24.2 150.1 86 -3.4 88 -2.6 6 -0.5 0 0.0 13 62
9 A 26 GLU E E E A b + 0 135 -122.0 153.5 -179.4 126.8 13.2 151.6 134 -2.9 136 -2.2 7 -0.7 0 0.0 13 61
10 A 27 GLY G E E A b - 0 136 173.4 167.0 179.0 -75.4 53.6 159.6 0 0.0 0 0.0 0 0.0 0 0.0 12 65
11 A 28 ASN N e > T - 0 0 -72.6 169.0 176.3 -74.4 67.3 101.8 136 -0.5 14 -1.2 0 0.0 0 0.0 13 67
12 A 29 ILE I T T 3 TS+ 0 0 -65.1 128.7 179.7 22.1 124.6 121.8 0 0.0 0 0.0 0 0.0 0 0.0 7 62
13 A 30 GLY G T T 3 TS+ 0 0 83.9 28.9 -179.9 127.4 81.1 39.2 0 0.0 0 0.0 0 0.0 0 0.0 11 56
14 A 31 SER S S t < TS- 0 0 -98.2 6.8 177.9 -103.7 83.6 72.2 11 -1.2 0 0.0 0 0.0 0 0.0 13 52
15 A 32 GLY G h > T + 0 0 81.0 24.1 179.3 148.8 68.7 43.4 0 0.0 19 -2.6 0 0.0 0 0.0 9 47
16 A 33 LYS K H H > TS+ 0 0 -52.1 -54.6 -178.5 47.0 73.6 19.5 0 0.0 20 -3.1 0 0.0 0 0.0 12 50
17 A 34 THR T H H > TS+ 0 0 -53.0 -58.1 -179.9 47.3 112.8 18.2 0 0.0 21 -1.4 0 0.0 0 0.0 6 41
18 A 35 THR T H H > > TS+ 0 0 -50.5 -45.9 -178.7 47.2 115.6 25.3 0 0.0 22 -0.5 0 0.0 21 -0.5 7 38
19 A 36 TYR Y H H < > TS+ 0 0 -64.8 -43.4 -179.2 54.2 108.0 26.2 15 -2.6 22 -1.3 0 0.0 0 0.0 8 44
20 A 37 LEU L H H < > TS+ 0 0 -66.6 -18.6 178.9 69.4 95.9 46.4 16 -3.1 23 -1.2 0 0.0 0 0.0 9 39
21 A 38 ASN N H H < X TS+ 0 0 -69.4 -28.5 178.4 67.1 85.2 38.2 17 -1.4 24 -1.6 18 -0.5 0 0.0 7 26
22 A 39 HIS H G h < < TS+ 0 0 -65.9 -9.6 -177.5 55.6 98.8 52.9 19 -1.3 0 0.0 18 -0.5 0 0.0 7 27
23 A 40 PHE F G G X TS+ 0 0 -102.4 -5.0 -180.0 90.3 79.1 61.9 20 -1.2 26 -1.0 0 0.0 0 0.0 9 31
24 A 41 GLU E G G X TS+ 0 0 -56.2 -45.1 -177.6 58.9 81.6 24.6 21 -1.6 27 -2.0 0 0.0 0 0.0 8 24
25 A 42 LYS K G G 3 TS+ 0 0 -59.6 -24.1 -178.4 52.8 102.5 44.6 0 0.0 0 0.0 0 0.0 0 0.0 6 17
26 A 43 TYR Y G G > X TS+ 0 0 -96.5 9.7 -178.8 122.0 70.2 72.7 23 -1.0 29 -2.6 0 0.0 30 -1.9 7 20
27 A 44 LYS K T g 4 < T + 0 0 -47.3 -16.5 -179.2 67.2 64.1 53.0 24 -2.0 0 0.0 0 0.0 0 0.0 9 22
28 A 45 ASN N T T 4 3 TS+ 0 0 -80.2 -25.6 179.9 21.3 116.3 40.6 0 0.0 0 0.0 0 0.0 0 0.0 7 19
29 A 46 ASP D T e 4 < TS+ 0 0 -114.8 -13.2 -176.8 68.3 119.8 59.6 26 -2.6 83 -0.6 0 0.0 0 0.0 8 22
30 A 47 ILE I E E > T + 0 0 -72.3 40.6 -178.5 139.8 62.8 95.1 0 0.0 40 -1.5 0 0.0 39 -1.3 8 41
37 A 54 VAL V H H > 3 T + 0 0 -54.5 -41.5 -179.1 57.0 64.5 31.1 35 -1.7 41 -1.4 0 0.0 0 0.0 7 46
38 A 55 GLU E H H 4 3 TS+ 0 0 -65.9 -22.5 174.6 54.1 104.2 40.3 0 0.0 0 0.0 0 0.0 0 0.0 6 30
39 A 56 LYS K H H 4 X TS+ 0 0 -71.6 -43.3 179.9 52.9 105.5 24.5 36 -1.3 42 -1.5 0 0.0 0 0.0 7 33
40 A 57 TRP W H H < 3 TS+ 0 0 -59.9 -28.4 -178.2 51.2 108.5 38.1 36 -1.5 48 -1.5 0 0.0 49 -1.2 13 40
41 A 58 ARG R T h < 3 TS+ 0 0 -88.2 -6.9 179.2 39.3 117.8 59.0 37 -1.4 0 0.0 0 0.0 0 0.0 11 31
42 A 59 ASN N t < T + 0 0 -144.0 77.1 177.5 165.4 60.5 125.6 39 -1.5 44 -1.4 0 0.0 0 0.0 10 23
43 A 60 VAL V B B A > TS- 46 0 -93.2 81.1 -177.9 -50.5 91.0 132.8 46 -3.1 46 -1.3 0 0.0 0 0.0 9 26
44 A 61 ASN N T T 3 TS- 0 0 56.8 32.0 178.4 -30.3 125.9 34.5 42 -1.4 0 0.0 0 0.0 0 0.0 4 17
45 A 62 GLY G T T 3 TS+ 0 0 118.5 -22.7 -178.3 99.4 118.6 84.2 0 0.0 0 0.0 0 0.0 0 0.0 5 16
46 A 63 VAL V B B A < T - 43 0 -105.1 141.0 178.8 -134.7 64.8 143.7 43 -1.3 43 -3.1 0 0.0 48 -1.1 7 22
47 A 64 ASN N h > T + 0 0 -91.1 91.7 -179.5 175.9 24.5 136.8 0 0.0 51 -2.2 0 0.0 0 0.0 10 34
48 A 65 LEU L H H > TS+ 0 0 -64.0 -34.3 178.7 58.2 78.9 33.5 40 -1.5 52 -2.4 46 -1.1 0 0.0 13 37
49 A 66 LEU L H H > TS+ 0 0 -60.7 -47.3 179.4 45.6 108.3 20.8 40 -1.2 53 -1.9 0 0.0 0 0.0 11 46
50 A 67 GLU E H H > TS+ 0 0 -60.3 -54.3 -179.6 48.8 113.0 15.8 0 0.0 54 -2.0 0 0.0 0 0.0 9 36
51 A 68 LEU L H H X TS+ 0 0 -55.1 -40.1 -179.4 56.9 107.4 29.7 47 -2.2 55 -2.3 0 0.0 0 0.0 10 36
52 A 69 MET M H H < TS+ 0 0 -59.0 -49.5 -179.9 39.8 112.2 18.5 48 -2.4 0 0.0 0 0.0 0 0.0 12 43
53 A 70 TYR Y H H < TS+ 0 0 -69.2 -26.5 -175.4 53.4 116.0 38.0 49 -1.9 0 0.0 0 0.0 0 0.0 11 41
54 A 71 LYS K H H < TS- 0 0 -78.9 -34.6 -176.0 -0.1 133.7 33.5 50 -2.0 0 0.0 0 0.0 0 0.0 6 29
55 A 72 ASP D h X > T + 0 0 -158.9 75.4 -176.3 174.8 66.6 121.3 51 -2.3 59 -2.1 0 0.0 58 -1.5 9 28
56 A 73 PRO P H H > 3 TS+ 0 0 -57.5 -42.4 180.0 66.9 75.9 30.0 0 0.0 60 -3.2 0 0.0 0 0.0 13 37
57 A 74 LYS K H H 4 3 TS+ 0 0 -51.1 -25.2 -178.0 29.5 116.5 40.3 0 0.0 0 0.0 0 0.0 0 0.0 10 33
58 A 75 LYS K H H 4 < TS+ 0 0 -105.7 -31.7 -174.5 28.7 133.5 42.1 55 -1.5 0 0.0 0 0.0 0 0.0 8 30
59 A 76 TRP W H H X TS+ 0 0 -112.5 -10.5 179.4 85.4 92.4 53.3 55 -2.1 63 -2.4 0 0.0 0 0.0 11 37
60 A 77 ALA A H H X TS+ 0 0 -55.7 -43.1 -175.6 51.6 93.3 22.7 56 -3.2 64 -2.6 0 0.0 0 0.0 14 48
61 A 78 MET M H H > TS+ 0 0 -64.9 -47.6 178.1 39.5 113.2 25.3 0 0.0 65 -1.4 0 0.0 0 0.0 13 48
62 A 79 PRO P H H > TS+ 0 0 -68.1 -41.7 179.9 53.6 116.2 23.6 0 0.0 66 -2.3 0 0.0 0 0.0 8 47
63 A 80 PHE F H H X TS+ 0 0 -56.8 -55.6 -179.2 44.4 110.2 17.9 59 -2.4 67 -2.4 0 0.0 0 0.0 12 54
64 A 81 GLN Q H H X TS+ 0 0 -60.7 -33.9 178.1 55.3 111.6 32.6 60 -2.6 68 -2.9 0 0.0 0 0.0 11 59
65 A 82 SER S H H X TS+ 0 0 -65.7 -41.9 178.3 45.6 109.4 25.4 61 -1.4 69 -2.2 0 0.0 0 0.0 9 53
66 A 83 TYR Y H H X TS+ 0 0 -68.8 -35.1 177.4 54.4 111.1 29.0 62 -2.3 70 -2.9 0 0.0 0 0.0 9 47
67 A 84 VAL V H H X TS+ 0 0 -60.2 -51.0 178.1 51.1 106.4 15.1 63 -2.4 71 -3.1 0 0.0 0 0.0 11 51
68 A 85 THR T H H X TS+ 0 0 -49.5 -52.4 -179.7 48.1 112.0 19.7 64 -2.9 72 -3.0 0 0.0 0 0.0 10 54
69 A 86 LEU L H H X TS+ 0 0 -54.9 -54.3 -178.1 44.0 114.0 20.9 65 -2.2 73 -2.3 0 0.0 0 0.0 8 43
70 A 87 THR T H H X TS+ 0 0 -63.3 -37.9 178.8 48.1 115.4 30.3 66 -2.9 74 -1.8 0 0.0 0 0.0 9 43
71 A 88 MET M H H X TS+ 0 0 -68.5 -40.1 178.2 52.6 110.2 23.6 67 -3.1 75 -3.0 0 0.0 0 0.0 13 53
72 A 89 LEU L H H X TS+ 0 0 -59.2 -40.4 179.5 54.6 106.4 25.4 68 -3.0 76 -1.1 0 0.0 0 0.0 10 48
73 A 90 GLN Q H H < TS+ 0 0 -60.5 -43.0 178.1 43.9 111.3 24.5 69 -2.3 0 0.0 0 0.0 0 0.0 8 43
74 A 91 SER S H H < > TS+ 0 0 -68.0 -45.2 179.5 57.5 108.2 22.7 70 -1.8 77 -1.2 0 0.0 0 0.0 9 49
75 A 92 HIS H H H < 3 TS+ 0 0 -58.2 -21.4 -178.2 31.8 119.5 45.0 71 -3.0 0 0.0 0 0.0 0 0.0 10 51
76 A 93 THR T T h < 3 TS+ 0 0 -121.9 10.8 -179.7 129.3 90.3 74.4 72 -1.1 0 0.0 0 0.0 0 0.0 8 41
77 A 94 ALA A t < T - 0 0 -67.2 150.9 172.2 -91.1 63.9 101.6 74 -1.2 0 0.0 0 0.0 0 0.0 6 38
78 A 95 PRO P + 0 0 -53.6 142.3 169.1 164.9 50.8 108.6 0 0.0 0 0.0 0 0.0 0 0.0 4 27
79 A 96 THR T - 0 0 -165.8 157.7 -174.1 -168.4 36.6 166.9 0 0.0 0 0.0 0 0.0 0 0.0 6 26
80 A 97 ASN N + 0 0 -134.1 32.1 177.2 102.7 62.4 96.5 0 0.0 0 0.0 0 0.0 0 0.0 4 24
81 A 98 LYS K S S S- 0 0 -114.5 150.3 180.0 -132.3 70.3 150.1 0 0.0 0 0.0 0 0.0 0 0.0 10 28
82 A 99 LYS K S e S+ 0 0 -87.5 9.5 175.1 47.1 91.1 70.8 0 0.0 4 -0.6 0 0.0 0 0.0 8 26
83 A 100 LEU L E E Aac - 4 30 -148.8 135.4 -178.0 -163.1 66.1 166.5 29 -0.6 31 -2.9 0 0.0 0 0.0 11 37
84 A 101 LYS K E E Aac - 5 31 -125.6 128.7 -179.9 -168.7 1.7 166.8 4 -3.3 6 -3.2 0 0.0 86 -0.5 13 45
85 A 102 ILE I E E Aac - 6 32 -119.7 115.0 179.8 -173.1 8.5 161.3 31 -3.3 33 -3.0 0 0.0 0 0.0 12 55
86 A 103 MET M E E Aac - 7 33 -108.4 140.6 175.7 -136.4 22.8 148.6 6 -3.1 8 -3.4 84 -0.5 88 -0.8 15 60
87 A 104 GLU E E E Aa S- 8 0 -93.8 108.0 -177.0 -22.5 79.2 148.0 33 -2.1 0 0.0 0 0.0 0 0.0 12 57
88 A 105 ARG R S e S- 0 0 75.8 175.5 -176.0 -146.0 73.4 92.1 8 -2.6 0 0.0 86 -0.8 0 0.0 13 62
89 A 106 SER S h > T - 0 0 -162.1 179.9 178.0 -86.1 35.2 156.6 0 0.0 93 -1.3 0 0.0 0 0.0 12 59
90 A 107 ILE I H H > TS+ 0 0 -70.5 -23.8 -178.1 63.5 122.1 38.5 0 0.0 94 -2.5 0 0.0 0 0.0 10 59
91 A 108 PHE F H H > TS+ 0 0 -69.3 -41.0 179.0 44.3 102.5 29.8 0 0.0 95 -2.6 0 0.0 0 0.0 8 63
92 A 109 SER S H H > >TS+ 0 0 -72.3 -33.3 179.1 51.9 114.6 30.2 0 0.0 96 -1.9 0 0.0 97 -1.6 11 60
93 A 110 ALA A H H < >TS+ 0 0 -65.5 -45.3 -178.2 38.9 116.5 22.2 89 -1.3 98 -2.9 0 0.0 0 0.0 13 61
94 A 111 ARG R H H < 5TS+ 0 0 -72.6 -46.3 -175.3 33.5 125.7 23.8 90 -2.5 0 0.0 0 0.0 0 0.0 11 52
95 A 112 TYR Y H H < 5TS+ 0 0 -87.6 -22.1 -178.8 20.8 133.0 45.0 91 -2.6 0 0.0 0 0.0 0 0.0 10 46
96 A 113 CYS C T h X 5TS+ 0 0 -109.2 -71.9 -175.3 31.8 126.3 38.1 92 -1.9 100 -2.6 0 0.0 0 0.0 13 48
97 A 114 PHE F H H > TS+ 0 0 -59.5 -39.7 179.9 51.2 109.6 28.7 0 0.0 103 -2.5 0 0.0 0 0.0 10 49
100 A 117 ASN N H H X TS+ 0 0 -64.1 -44.9 -179.6 49.4 109.0 21.3 96 -2.6 104 -2.8 0 0.0 0 0.0 11 49
101 A 118 MET M H H < >TS+ 0 0 -66.9 -23.3 177.8 52.0 111.0 42.5 97 -2.0 107 -2.3 0 0.0 106 -1.1 12 51
102 A 119 ARG R H H < >5TS+ 0 0 -75.5 -50.8 -179.1 43.3 112.7 19.4 98 -1.5 105 -1.0 0 0.0 0 0.0 12 38
103 A 120 ARG R H H < 35TS+ 0 0 -61.1 -48.7 -177.3 53.1 110.6 24.1 99 -2.5 0 0.0 0 0.0 0 0.0 8 32
104 A 121 ASN N T h < 35TS- 0 0 -69.1 -4.8 177.1 -111.9 118.2 57.7 100 -2.8 0 0.0 0 0.0 0 0.0 6 36
105 A 122 GLY G T T <5TS+ 0 0 90.6 5.2 -179.4 118.2 85.4 61.3 102 -1.0 0 0.0 0 0.0 0 0.0 8 28
106 A 123 SER S t > T - 0 0 -77.5 154.9 -176.3 -96.2 35.1 118.4 106 -0.6 112 -2.3 0 0.0 111 -1.4 9 27
109 A 126 GLN Q H H > 3 TS+ 0 0 -36.4 -55.5 -177.7 48.1 122.4 36.1 0 0.0 113 -3.2 0 0.0 0 0.0 7 23
110 A 127 GLY G H H > 3 TS+ 0 0 -62.5 -31.6 -179.9 48.2 113.4 35.4 0 0.0 114 -2.2 0 0.0 0 0.0 6 24
111 A 128 MET M H H > < TS+ 0 0 -74.6 -47.8 176.9 44.5 114.0 20.7 108 -1.4 115 -2.5 0 0.0 0 0.0 9 35
112 A 129 TYR Y H H X TS+ 0 0 -59.1 -44.5 179.8 52.5 114.4 20.5 108 -2.3 116 -2.7 0 0.0 0 0.0 12 39
113 A 130 ASN N H H X TS+ 0 0 -57.6 -47.9 179.3 49.4 107.8 22.6 109 -3.2 117 -2.5 0 0.0 0 0.0 8 29
114 A 131 THR T H H X TS+ 0 0 -58.2 -46.2 179.1 49.8 111.5 21.5 110 -2.2 118 -1.6 0 0.0 0 0.0 8 30
115 A 132 LEU L H H X TS+ 0 0 -59.0 -45.1 -179.0 49.3 110.8 22.8 111 -2.5 119 -1.6 0 0.0 0 0.0 11 43
116 A 133 GLU E H H X TS+ 0 0 -63.9 -39.2 179.4 55.8 106.3 28.0 112 -2.7 120 -2.1 0 0.0 0 0.0 9 39
117 A 134 GLU E H H X TS+ 0 0 -63.2 -33.8 177.1 52.7 105.2 31.7 113 -2.5 121 -2.0 0 0.0 0 0.0 8 28
118 A 135 TRP W H H X TS+ 0 0 -66.4 -41.2 178.4 52.9 107.0 24.7 114 -1.6 122 -3.1 0 0.0 0 0.0 8 35
119 A 136 TYR Y H H X TS+ 0 0 -59.5 -44.6 179.0 49.7 108.5 23.6 115 -1.6 123 -1.9 0 0.0 0 0.0 9 40
120 A 137 LYS K H H X TS+ 0 0 -59.7 -45.0 -178.2 44.6 114.8 22.7 116 -2.1 124 -0.9 0 0.0 0 0.0 8 25
121 A 138 PHE F H H X TS+ 0 0 -67.5 -43.0 -179.2 55.7 108.8 25.2 117 -2.0 125 -2.1 0 0.0 0 0.0 8 22
122 A 139 ILE I H H X TS+ 0 0 -58.1 -40.2 -178.9 40.2 114.0 28.7 118 -3.1 126 -1.3 0 0.0 0 0.0 9 32
123 A 140 GLU E H H < TS+ 0 0 -86.2 -14.2 178.1 56.3 111.8 52.8 119 -1.9 0 0.0 0 0.0 0 0.0 9 27
124 A 141 GLU E H H < TS+ 0 0 -83.1 -30.8 -179.9 27.8 122.2 37.8 120 -0.9 0 0.0 0 0.0 0 0.0 7 15
125 A 142 SER S H H < TS+ 0 0 -90.1 -76.2 179.9 33.2 125.8 25.0 121 -2.1 0 0.0 0 0.0 0 0.0 6 16
126 A 143 ILE I S h < TS- 0 0 -76.3 171.0 176.2 -135.4 72.4 100.2 122 -1.3 0 0.0 0 0.0 0 0.0 6 25
127 A 144 HIS H - 0 0 -129.6 132.2 -177.6 -143.1 13.8 177.8 0 0.0 129 -0.6 0 0.0 0 0.0 7 30
128 A 145 VAL V - 0 0 -104.8 120.0 -179.3 -130.0 14.8 150.9 0 0.0 0 0.0 0 0.0 0 0.0 7 43
129 A 146 GLN Q + 0 0 -68.4 121.6 179.6 156.4 39.9 119.6 127 -0.6 0 0.0 0 0.0 0 0.0 9 44
130 A 147 ALA A + 0 0 -151.4 100.6 -176.0 151.5 7.7 141.1 0 0.0 0 0.0 0 0.0 0 0.0 10 45
131 A 148 ASP D S S S+ 0 0 -102.9 -31.1 -179.8 14.5 70.2 41.2 5 -2.1 0 0.0 0 0.0 0 0.0 9 34
132 A 149 LEU L E E Ab - 6 0 -148.1 144.2 177.3 -153.1 58.4 177.1 5 -1.5 7 -2.4 0 0.0 0 0.0 11 41
133 A 150 ILE I E E Abd - 7 185 -121.4 124.7 175.7 -159.9 5.3 168.7 184 -2.3 186 -2.7 0 0.0 135 -0.6 13 48
134 A 151 ILE I E E Abd - 8 186 -100.9 126.0 -175.6 -159.6 11.4 155.1 7 -2.3 9 -2.9 0 0.0 136 -0.7 12 47
135 A 152 TYR Y E E Abd - 9 187 -115.0 102.4 176.2 -155.4 10.1 152.5 186 -3.1 188 -2.5 133 -0.6 137 -1.6 12 57
136 A 153 LEU L E E Abd - 10 188 -73.5 93.2 -177.2 -159.7 26.2 129.1 9 -2.2 11 -0.5 134 -0.7 0 0.0 15 51
137 A 154 ARG R E E A d + 0 189 -84.4 130.4 178.2 160.0 20.7 130.6 188 -2.3 190 -2.5 135 -1.6 0 0.0 12 50
138 A 155 THR T - 0 0 -136.5 171.9 172.4 -102.9 41.4 149.7 0 0.0 0 0.0 0 0.0 0 0.0 12 46
139 A 156 SER S h > T - 0 0 -95.1 149.1 -178.1 -117.9 33.9 139.0 0 0.0 143 -2.7 0 0.0 0 0.0 8 37
140 A 157 PRO P H H > TS+ 0 0 -55.1 -33.6 179.8 55.2 115.4 33.3 0 0.0 144 -1.6 0 0.0 0 0.0 10 36
141 A 158 GLU E H H > TS+ 0 0 -66.0 -46.5 178.9 44.3 109.7 22.0 0 0.0 145 -1.5 0 0.0 0 0.0 7 34
142 A 159 VAL V H H > TS+ 0 0 -63.2 -45.6 179.6 51.3 113.1 21.5 0 0.0 146 -2.0 0 0.0 0 0.0 10 36
143 A 160 ALA A H H X TS+ 0 0 -60.5 -32.5 -179.1 56.3 106.2 33.9 139 -2.7 147 -2.2 0 0.0 0 0.0 14 48
144 A 161 TYR Y H H X TS+ 0 0 -68.5 -36.4 177.6 52.0 104.8 30.5 140 -1.6 148 -1.8 0 0.0 0 0.0 11 37
145 A 162 GLU E H H X TS+ 0 0 -63.7 -46.8 179.9 50.3 108.7 21.4 141 -1.5 149 -2.8 0 0.0 0 0.0 9 34
146 A 163 ARG R H H X TS+ 0 0 -55.8 -53.9 179.1 46.2 112.2 17.7 142 -2.0 150 -2.8 0 0.0 0 0.0 11 40
147 A 164 ILE I H H X >TS+ 0 0 -56.7 -36.1 -178.4 53.0 112.9 32.4 143 -2.2 151 -1.4 0 0.0 152 -0.5 12 40
148 A 165 ARG R H H < 5TS+ 0 0 -67.4 -49.3 -179.4 38.3 114.4 21.1 144 -1.8 0 0.0 0 0.0 0 0.0 9 28
149 A 166 GLN Q H H < 5TS+ 0 0 -73.2 -30.1 178.8 60.9 110.2 36.6 145 -2.8 0 0.0 0 0.0 0 0.0 6 25
150 A 167 ARG R H H < 5TS- 0 0 -62.9 -37.6 176.3 -163.6 87.2 28.5 146 -2.8 0 0.0 0 0.0 0 0.0 6 24
151 A 168 ALA A T h < 5T - 0 0 60.6 27.5 179.0 -175.1 11.0 42.2 147 -1.4 0 0.0 0 0.0 0 0.0 8 20
152 A 169 ARG R g > TS+ 0 0 -44.4 -57.4 -175.9 45.1 102.2 27.0 0 0.0 156 -1.4 0 0.0 0 0.0 5 27
154 A 171 GLU E G G 3 TS+ 0 0 -66.0 -26.0 -178.1 51.8 111.5 41.8 0 0.0 0 0.0 0 0.0 0 0.0 8 34
155 A 172 GLU E G G X TS+ 0 0 -93.8 9.5 -177.0 113.9 75.5 72.2 152 -0.7 158 -2.1 0 0.0 0 0.0 9 39
156 A 173 SER S T g < TS+ 0 0 -52.9 -28.6 -177.6 41.0 79.5 43.8 153 -1.4 0 0.0 0 0.0 0 0.0 8 29
157 A 174 CYS C T T 3 TS+ 0 0 -111.2 22.6 -178.9 132.2 77.9 84.3 0 0.0 0 0.0 0 0.0 0 0.0 6 29
158 A 175 VAL V t < T - 0 0 -81.4 109.4 179.5 -152.3 44.4 131.6 155 -2.1 0 0.0 0 0.0 0 0.0 7 42
159 A 176 PRO P h > > T - 0 0 -78.7 154.9 -179.9 -110.5 25.3 115.4 0 0.0 162 -1.2 0 0.0 163 -1.2 6 33
160 A 177 LEU L H H > 3 TS+ 0 0 -52.5 -34.6 -178.3 62.3 115.8 37.5 0 0.0 164 -1.5 0 0.0 0 0.0 9 31
161 A 178 LYS K H H > 3 TS+ 0 0 -64.0 -34.1 178.9 55.4 99.2 31.4 0 0.0 165 -2.3 0 0.0 0 0.0 6 32
162 A 179 TYR Y H H > < TS+ 0 0 -62.6 -48.2 179.8 43.8 110.3 20.4 159 -1.2 166 -2.1 0 0.0 0 0.0 8 43
163 A 180 LEU L H H X TS+ 0 0 -68.6 -23.1 -179.7 59.0 110.2 40.8 159 -1.2 167 -1.8 0 0.0 0 0.0 14 42
164 A 181 GLN Q H H X TS+ 0 0 -71.9 -43.3 177.1 46.7 106.0 23.1 160 -1.5 168 -2.2 0 0.0 0 0.0 9 37
165 A 182 GLU E H H X TS+ 0 0 -62.0 -47.3 -179.7 48.2 113.4 21.8 161 -2.3 169 -2.1 0 0.0 0 0.0 9 39
166 A 183 LEU L H H X TS+ 0 0 -63.4 -35.9 -180.0 55.2 108.8 30.7 162 -2.1 170 -2.5 0 0.0 0 0.0 12 49
167 A 184 HIS H H H X TS+ 0 0 -61.6 -52.7 178.7 47.4 107.7 14.1 163 -1.8 171 -3.1 0 0.0 0 0.0 11 51
168 A 185 GLU E H H X TS+ 0 0 -53.6 -43.8 -179.6 52.6 111.7 26.2 164 -2.2 172 -3.0 0 0.0 0 0.0 8 40
169 A 186 LEU L H H X TS+ 0 0 -62.9 -42.2 177.1 45.1 110.8 26.0 165 -2.1 173 -1.9 0 0.0 0 0.0 12 41
170 A 187 HIS H H H X TS+ 0 0 -65.9 -44.7 179.0 51.7 113.5 19.6 166 -2.5 174 -3.4 0 0.0 0 0.0 13 53
171 A 188 GLU E H H X >TS+ 0 0 -54.7 -50.4 -178.1 46.6 110.8 19.8 167 -3.1 175 -2.0 0 0.0 176 -1.1 9 42
172 A 189 ASP D H H < >TS+ 0 0 -61.7 -36.8 -177.0 42.3 118.9 29.5 168 -3.0 177 -1.4 0 0.0 0 0.0 10 32
173 A 190 TRP W H H < 5TS+ 0 0 -78.1 -46.0 -174.8 31.5 123.5 24.5 169 -1.9 0 0.0 0 0.0 0 0.0 11 46
174 A 191 LEU L H H < 5TS+ 0 0 -93.7 -10.1 -177.7 10.6 135.3 54.3 170 -3.4 0 0.0 0 0.0 0 0.0 10 47
175 A 192 ILE I T h < >5TS+ 0 0 -128.4 -80.4 -175.9 33.7 121.5 56.3 171 -2.0 178 -1.2 0 0.0 0 0.0 8 36
176 A 193 HIS H T T 3 T + 137 0 -86.5 91.7 -177.6 175.5 33.9 133.9 0 0.0 192 -1.2 0 0.0 0 0.0 9 36
190 A 207 ALA A T e 3 T + 0 0 -84.2 15.4 176.0 79.0 67.8 77.6 137 -2.5 0 0.0 188 -1.3 0 0.0 12 39
191 A 208 ASP D T T 3 TS+ 0 0 -88.5 -24.2 176.2 103.1 71.2 47.4 0 0.0 0 0.0 0 0.0 0 0.0 9 31
192 A 209 LEU L S t < TS- 0 0 -51.8 158.7 -170.1 -119.1 87.4 97.8 189 -1.2 0 0.0 0 0.0 0 0.0 6 26
193 A 210 ASN N S S S- 0 0 -97.6 147.3 163.3 -22.7 89.9 140.8 0 0.0 195 -0.9 0 0.0 0 0.0 5 25
194 A 211 LEU L 0 0 22.7 26.8 162.9 999.9 999.9 79.4 0 0.0 0 0.0 0 0.0 0 0.0 4 24
195 A 212 GLU E 0 0 82.7 999.9 999.9 999.9 999.9 103.4 193 -0.9 0 0.0 0 0.0 0 0.0 5 23
1j90A.pdb
1J90 TRANSFERASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEEE TTS HHHHHHGGGGGTTTEEEE HHHHT BTTB HHHHHHH HHHHHHHHHHHHHHHHHHHHT SSEEEEES HHHHHHTHHHH Kabs/Sand
chirality ------++--++-+++++++++++++++------+++++++--+-+++++++-++++++++++++++++++++++-+-+-+-------+++++++++++ chirality
bends SSS SSSSSSSSSSS SS SSSS SSS SSSSSSS SSSSSSSSSSSSSSSSSSSSS SS SS SSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTT turns
5-turns >>555<< 5-turns
3-turns >33< >>>X33X33<>33< >33< >33< 3-turns
bridge-2 bbbbb cccc bridge-2
bridge-1 aaaaa cccc A A aaaaa bridge-1
sheets AAAAAAA AAAA AAAAA sheets
4-turns >>>><<<< >444< >>44<< >>>>X<<44XX>>XXXXXXXXXX<<<< >>>><<>>X 4-turns
summary EEEEEEEeTTthHHHHHHhGGGGgTeEEEE hHHHHhtBTTBhHHHHHHHhHHHHHHHHHHHHHHHHHHHHht SeEEEEEehHHHHHHhHHHH summary
sequence TQPFTVLIEGNIGSGKTTYLNHFEKYKNDICLLTEPVEKWRNVNGVNLLELMYKDPKKWAMPFQSYVTLTMLQSHTAPTNKKLKIMERSIFSARYCFVEN sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHTT S HHHHHHHHHHHHHHHHHS SEEEEEE HHHHHHHHHHHT GGGTT HHHHHHHHHHHHHHHTTT SS EEEEETTSS Kabs/Sand
chirality +++-++--+++++++++++++++++---+++-----+--++++++++++---+++++--++++++++++++++++++--++-------+++-- chirality
bends SSSSS S SSSSSSSSSSSSSSSSSS S SSSSSSSSSSS SSSSS SSSSSSSSSSSSSSSSSS SS SSS bends
turns TTTTTT TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT turns
5-turns >5555< >5555< >>555<< 5-turns
3-turns >33< >33< >>3X<3<>33< >33< >33< 3-turns
bridge-2 ddddd bridge-2
bridge-1 bbbbb ddddd bridge-1
sheets AAAAAA AAAAA sheets
4-turns <<<< >>>>XXXXXXXXXXX<<<< >>>>XXXXX<<<< >>>>XXXXXXXXX<<<< 4-turns
summary HHHhTtShHHHHHHHHHHHHHHHHHh SEEEEEE hHHHHHHHHHHHhgGGGgTthHHHHHHHHHHHHHHHhTTt SS eEEEEEeTtS summary
sequence MRRNGSLEQGMYNTLEEWYKFIEESIHVQADLIIYLRTSPEVAYERIRQRARSEESCVPLKYLQELHELHEDWLIHQRRPQSCKVLVLDADLNLE sequence
110 120 130 140 150 160 170 180 190