Secondary structure calculation program - copyright by David Keith Smith, 1989
1g3qA.pdb
1G3Q CELL CYCLE, HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 237
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 1 MET M 0 0 999.9 -47.5 179.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 32
2 A 2 GLY G + 0 0 65.4 39.9 178.9 168.3 999.9 28.7 112 -1.3 4 -0.6 0 0.0 0 0.0 10 37
3 A 3 ARG R E E Aa - 114 0 -89.3 118.3 180.0 -158.5 20.5 141.0 113 -2.4 115 -2.6 0 0.0 5 -0.7 11 49
4 A 4 ILE I E E Aa - 115 0 -100.6 111.3 -177.8 -175.4 13.5 148.8 2 -0.6 135 -2.6 0 0.0 136 -2.3 14 61
5 A 5 ILE I E E Aab - 116 136 -114.0 123.1 178.7 -147.4 16.4 157.4 115 -2.6 117 -2.6 3 -0.7 0 0.0 13 71
6 A 6 SER S E E Aab - 117 137 -88.4 127.0 179.4 -148.8 8.6 138.3 136 -3.3 138 -2.9 0 0.0 8 -0.8 17 73
7 A 7 ILE I E E Aab + 118 138 -95.9 109.0 -175.0 168.3 36.9 149.8 117 -2.9 119 -1.7 0 0.0 0 0.0 16 79
8 A 8 VAL V E E A b + 0 139 -125.3 172.9 179.1 177.9 23.1 134.2 138 -1.9 140 -2.8 6 -0.8 0 0.0 16 77
9 A 9 SER S - 0 0 -165.2 161.9 178.8 -125.9 36.9 170.0 0 0.0 122 -1.6 0 0.0 0 0.0 16 68
10 A 10 GLY G S S S+ 0 0 -85.2 -22.7 -180.0 31.2 99.1 44.3 0 0.0 0 0.0 0 0.0 0 0.0 15 52
11 A 11 LYS K S t > TS- 0 0 -134.1 158.8 178.9 -114.2 82.3 157.6 0 0.0 14 -0.5 0 0.0 0 0.0 11 46
12 A 12 GLY G T T 3 TS+ 0 0 -86.7 164.2 179.9 40.5 94.2 117.2 0 0.0 0 0.0 0 0.0 0 0.0 10 46
13 A 13 GLY G T T 3 TS+ 0 0 74.9 12.0 -179.2 115.8 79.6 52.7 0 0.0 0 0.0 0 0.0 0 0.0 5 45
14 A 14 THR T S t < TS- 0 0 -86.0 -20.8 178.7 -89.6 94.4 46.7 11 -0.5 0 0.0 0 0.0 0 0.0 11 55
15 A 15 GLY G S h > TS+ 0 0 124.1 14.0 -179.0 138.2 77.5 56.6 0 0.0 19 -3.3 0 0.0 0 0.0 10 69
16 A 16 LYS K H H > TS+ 0 0 -55.2 -50.2 180.0 41.1 81.5 23.0 0 0.0 20 -2.8 0 0.0 0 0.0 15 65
17 A 17 THR T H H > TS+ 0 0 -65.6 -40.2 179.5 51.2 116.2 23.4 0 0.0 21 -2.9 0 0.0 0 0.0 11 71
18 A 18 THR T H H > TS+ 0 0 -62.3 -44.3 179.1 44.1 113.3 25.3 0 0.0 22 -2.5 0 0.0 0 0.0 11 76
19 A 19 VAL V H H X TS+ 0 0 -67.5 -44.4 179.6 51.3 113.7 21.0 15 -3.3 23 -2.8 0 0.0 0 0.0 10 84
20 A 20 THR T H H X TS+ 0 0 -56.2 -52.2 -179.3 42.4 114.9 18.3 16 -2.8 24 -2.1 0 0.0 0 0.0 14 85
21 A 21 ALA A H H X TS+ 0 0 -62.0 -50.9 -179.5 42.3 118.7 21.1 17 -2.9 25 -2.0 0 0.0 0 0.0 13 80
22 A 22 ASN N H H X TS+ 0 0 -66.3 -41.4 179.3 49.2 115.2 25.2 18 -2.5 26 -2.6 0 0.0 0 0.0 13 83
23 A 23 LEU L H H X TS+ 0 0 -64.2 -39.9 179.1 54.1 109.5 25.3 19 -2.8 27 -2.9 0 0.0 0 0.0 12 79
24 A 24 SER S H H X TS+ 0 0 -57.8 -50.1 -179.1 42.0 112.5 19.8 20 -2.1 28 -2.5 0 0.0 0 0.0 13 75
25 A 25 VAL V H H X TS+ 0 0 -66.1 -41.0 179.2 52.2 113.8 26.8 21 -2.0 29 -2.3 0 0.0 0 0.0 14 66
26 A 26 ALA A H H X TS+ 0 0 -60.9 -48.1 179.5 42.7 114.2 19.7 22 -2.6 30 -0.7 0 0.0 0 0.0 13 57
27 A 27 LEU L H H < >>TS+ 0 0 -65.6 -40.2 179.5 52.9 112.9 26.6 23 -2.9 32 -2.2 0 0.0 30 -0.8 14 55
28 A 28 GLY G H H < >5TS+ 0 0 -62.4 -36.1 -179.5 54.9 105.7 28.2 24 -2.5 31 -1.5 0 0.0 0 0.0 14 47
29 A 29 ASP D H H < 35TS+ 0 0 -70.2 -19.1 179.5 58.1 101.8 45.3 25 -2.3 0 0.0 0 0.0 0 0.0 10 41
30 A 30 ARG R T h < <5TS- 0 0 -90.1 2.8 179.0 -97.7 128.7 67.3 27 -0.8 0 0.0 26 -0.7 0 0.0 6 33
31 A 31 GLY G T T <5TS+ 0 0 96.6 4.4 -179.9 135.1 80.3 60.4 28 -1.5 0 0.0 0 0.0 0 0.0 8 26
32 A 32 ARG R t T + 0 0 -91.2 77.3 -177.2 178.1 50.2 127.9 0 0.0 43 -1.2 0 0.0 0 0.0 14 72
41 A 41 LEU L T T 3 TS+ 0 0 -51.9 -37.7 -178.9 42.3 74.3 39.2 39 -1.6 0 0.0 0 0.0 0 0.0 14 61
42 A 42 THR T T T 3 TS+ 0 0 -89.8 -10.3 -179.7 33.3 125.6 53.3 0 0.0 0 0.0 0 0.0 0 0.0 7 45
43 A 43 MET M S t < TS- 0 0 -142.2 64.6 -179.2 -175.2 74.2 117.4 40 -1.2 45 -0.5 0 0.0 0 0.0 7 44
44 A 44 ALA A + 0 0 -68.0 113.0 -179.9 135.6 29.4 121.0 0 0.0 0 0.0 0 0.0 0 0.0 13 58
45 A 45 ASN N h > T + 0 0 -129.4 -24.0 -176.8 87.7 43.4 58.2 43 -0.5 49 -2.2 0 0.0 0 0.0 10 56
46 A 46 LEU L H H > TS+ 0 0 -48.8 -54.3 -179.5 49.8 87.7 28.0 0 0.0 50 -1.4 0 0.0 0 0.0 15 70
47 A 47 SER S H H 4 >TS+ 0 0 -54.9 -43.6 -179.6 49.2 112.3 25.6 0 0.0 52 -2.6 0 0.0 0 0.0 14 62
48 A 48 LEU L H H 4 >5TS+ 0 0 -63.4 -42.8 179.8 53.1 108.1 24.9 0 0.0 51 -1.6 0 0.0 0 0.0 9 51
49 A 49 VAL V H H < 35TS+ 0 0 -65.3 -22.4 178.8 50.1 109.7 41.5 45 -2.2 0 0.0 0 0.0 0 0.0 17 58
50 A 50 LEU L T h < 35TS- 0 0 -97.5 6.1 178.1 -108.4 121.0 70.4 46 -1.4 0 0.0 0 0.0 0 0.0 11 60
51 A 51 GLY G T T <5TS+ 0 0 81.2 11.1 178.6 124.2 81.6 51.9 48 -1.6 53 -0.9 0 0.0 0 0.0 11 45
52 A 52 VAL V t > T - 0 0 -129.0 175.7 178.3 -96.5 50.2 137.9 0 0.0 62 -1.6 0 0.0 61 -0.7 12 58
59 A 59 LEU L H H > 3 TS+ 0 0 -59.3 -32.8 -179.9 62.6 122.1 32.1 85 -3.2 63 -3.1 0 0.0 0 0.0 14 69
60 A 60 HIS H H H > 3 TS+ 0 0 -61.6 -37.8 178.6 50.2 101.1 28.8 0 0.0 64 -0.9 0 0.0 0 0.0 14 55
61 A 61 ASP D H H 4 <>TS+ 0 0 -65.3 -42.0 179.8 48.1 112.2 24.9 58 -0.7 66 -2.7 0 0.0 67 -0.6 12 45
62 A 62 VAL V H H < >5TS+ 0 0 -63.4 -47.7 -179.3 50.5 110.3 20.8 58 -1.6 65 -1.9 0 0.0 0 0.0 13 46
63 A 63 LEU L H H < 35TS+ 0 0 -67.0 -15.7 178.7 56.3 106.3 49.8 59 -3.1 97 -1.7 0 0.0 0 0.0 14 47
64 A 64 ALA A T h < 35TS- 0 0 -93.0 -1.2 -180.0 -116.2 117.5 64.4 60 -0.9 0 0.0 0 0.0 0 0.0 10 34
65 A 65 GLY G T T <5TS+ 0 0 73.9 22.1 -179.0 114.3 87.2 44.1 62 -1.9 0 0.0 0 0.0 0 0.0 7 28
66 A 66 GLU E S t T - 0 0 -80.8 139.0 -178.3 -123.9 33.9 129.6 0 0.0 71 -1.9 0 0.0 0 0.0 8 29
69 A 69 VAL V G G > TS+ 0 0 -54.8 -28.0 179.2 69.0 109.0 37.5 0 0.0 72 -1.9 0 0.0 0 0.0 9 47
70 A 70 GLU E G G > TS+ 0 0 -58.8 -34.4 -178.8 54.5 95.8 32.4 0 0.0 73 -1.0 0 0.0 0 0.0 5 37
71 A 71 ASP D G G < TS+ 0 0 -82.5 3.6 179.2 58.5 101.2 66.3 68 -1.9 0 0.0 0 0.0 0 0.0 7 34
72 A 72 ALA A G G < TS+ 0 0 -114.2 12.9 178.9 104.6 80.7 79.3 69 -1.9 74 -0.6 0 0.0 0 0.0 13 47
73 A 73 ILE I g < T - 0 0 -99.5 120.0 -178.9 -177.2 50.8 149.4 70 -1.0 0 0.0 0 0.0 0 0.0 10 50
74 A 74 TYR Y E E AE - 83 0 -118.6 156.5 177.3 -120.0 25.2 145.8 83 -2.9 83 -2.5 72 -0.6 0 0.0 9 46
75 A 75 MET M E E AE - 82 0 -80.7 165.7 175.4 -155.5 26.2 112.6 0 0.0 0 0.0 0 0.0 0 0.0 8 41
76 A 76 THR T e - 0 0 -133.1 172.0 -179.9 -101.8 34.4 146.1 81 -0.8 0 0.0 0 0.0 0 0.0 11 42
77 A 77 GLN Q S S S+ 0 0 -76.3 1.4 -178.4 93.6 97.3 62.3 0 0.0 0 0.0 0 0.0 0 0.0 6 40
78 A 78 PHE F S t > TS- 0 0 -102.9 136.7 -179.8 -103.4 87.6 143.1 0 0.0 81 -2.0 0 0.0 0 0.0 9 42
79 A 79 ASP D T T 3 TS- 0 0 -56.7 126.6 177.7 -3.7 101.3 108.1 0 0.0 0 0.0 0 0.0 0 0.0 9 36
80 A 80 ASN N T e 3 TS+ 0 0 66.7 14.5 -180.0 122.5 103.8 53.9 0 0.0 34 -3.4 0 0.0 82 -0.5 10 37
81 A 81 VAL V E E Ad < T + 34 0 -114.6 123.4 179.0 173.1 33.1 158.0 78 -2.0 76 -0.8 0 0.0 0 0.0 15 52
82 A 82 TYR Y E E AdE - 35 75 -120.5 161.5 -179.3 -143.9 16.1 145.2 34 -2.9 36 -2.9 80 -0.5 0 0.0 12 61
83 A 83 VAL V E E AdE - 36 74 -134.5 144.7 177.1 -158.8 16.8 167.3 74 -2.5 74 -2.9 0 0.0 0 0.0 13 69
84 A 84 LEU L E E Ad - 37 0 -115.2 90.6 -178.8 -155.8 39.4 155.5 36 -2.5 38 -2.3 0 0.0 0 0.0 14 71
85 A 85 PRO P - 0 0 -72.1 158.2 178.2 -133.3 8.4 103.0 0 0.0 59 -3.2 0 0.0 0 0.0 16 65
86 A 86 GLY G - 0 0 -110.4 151.9 179.0 -116.9 21.4 144.8 0 0.0 0 0.0 0 0.0 0 0.0 15 66
87 A 87 ALA A - 0 0 -82.6 156.7 179.6 -153.9 13.6 120.7 0 0.0 0 0.0 0 0.0 0 0.0 11 49
88 A 88 VAL V + 0 0 -102.5 -26.1 -178.1 99.4 61.1 44.5 0 0.0 0 0.0 0 0.0 0 0.0 9 35
89 A 89 ASP D S h > TS- 0 0 -67.8 143.1 -177.8 -126.9 74.7 109.3 0 0.0 93 -1.8 0 0.0 0 0.0 6 29
90 A 90 TRP W H H > TS+ 0 0 -57.9 -37.5 -179.9 60.2 105.8 35.5 0 0.0 94 -2.8 0 0.0 0 0.0 7 22
91 A 91 GLU E H H > TS+ 0 0 -59.0 -43.2 178.7 46.6 107.8 22.3 0 0.0 95 -2.2 0 0.0 0 0.0 6 24
92 A 92 HIS H H H > TS+ 0 0 -64.3 -41.2 179.5 53.8 109.9 25.5 0 0.0 96 -1.2 0 0.0 0 0.0 11 35
93 A 93 VAL V H H < TS+ 0 0 -58.6 -45.1 -179.0 48.9 109.8 20.9 89 -1.8 0 0.0 0 0.0 0 0.0 12 39
94 A 94 LEU L H H < TS+ 0 0 -61.3 -48.6 -177.1 45.3 112.0 22.4 90 -2.8 0 0.0 0 0.0 0 0.0 7 30
95 A 95 LYS K H H < TS+ 0 0 -76.9 -9.6 179.5 102.5 86.1 54.1 91 -2.2 97 -0.7 0 0.0 0 0.0 9 29
96 A 96 ALA A h < T - 0 0 -78.8 113.2 178.6 -145.4 66.3 130.8 92 -1.2 0 0.0 0 0.0 0 0.0 13 47
97 A 97 ASP D g > T - 0 0 -79.1 107.8 -179.8 -164.3 9.0 133.9 63 -1.7 100 -1.5 95 -0.7 0 0.0 10 40
98 A 98 PRO P G G > TS+ 0 0 -64.3 -24.7 -179.1 73.1 81.4 39.9 0 0.0 101 -1.9 0 0.0 0 0.0 11 49
99 A 99 ARG R G G 3 TS+ 0 0 -64.6 -16.6 180.0 58.2 91.3 47.0 0 0.0 0 0.0 0 0.0 0 0.0 7 36
100 A 100 LYS K G h > < TS+ 0 0 -93.6 1.4 179.9 94.0 78.4 64.9 97 -1.5 104 -2.2 0 0.0 0 0.0 9 42
101 A 101 LEU L H H > < TS+ 0 0 -58.6 -51.6 -180.0 52.2 81.3 19.3 98 -1.9 105 -3.0 0 0.0 0 0.0 13 57
102 A 102 PRO P H H > TS+ 0 0 -53.3 -48.0 -179.6 42.8 113.3 23.7 0 0.0 106 -2.2 0 0.0 0 0.0 12 51
103 A 103 GLU E H H > TS+ 0 0 -67.2 -39.1 180.0 48.9 116.2 26.0 0 0.0 107 -1.1 0 0.0 0 0.0 8 36
104 A 104 VAL V H H < TS+ 0 0 -65.1 -51.6 -179.0 41.0 115.8 17.0 100 -2.2 0 0.0 0 0.0 0 0.0 10 52
105 A 105 ILE I H H < > TS+ 0 0 -63.2 -50.9 -178.9 53.3 112.3 17.7 101 -3.0 108 -2.4 0 0.0 0 0.0 9 65
106 A 106 LYS K H H < > TS+ 0 0 -58.7 -24.0 179.4 68.4 96.6 41.2 102 -2.2 109 -1.3 0 0.0 0 0.0 10 46
107 A 107 SER S G h < 3 TS+ 0 0 -70.9 -10.3 -179.3 53.3 98.1 52.1 103 -1.1 0 0.0 0 0.0 0 0.0 7 37
108 A 108 LEU L G G X TS+ 0 0 -101.3 -2.8 -178.2 105.5 76.3 64.2 105 -2.4 111 -2.2 0 0.0 0 0.0 8 42
109 A 109 LYS K G G X TS+ 0 0 -46.5 -40.7 -178.0 53.8 75.8 37.3 106 -1.3 112 -0.8 0 0.0 0 0.0 12 38
110 A 110 ASP D G G 3 TS+ 0 0 -77.8 -6.3 -178.6 58.0 102.4 58.5 0 0.0 0 0.0 0 0.0 0 0.0 8 26
111 A 111 LYS K G G < TS+ 0 0 -103.4 -1.6 -178.6 46.3 104.4 62.5 108 -2.2 0 0.0 0 0.0 0 0.0 6 34
112 A 112 PHE F g < T - 0 0 -140.9 156.3 177.7 -143.5 59.9 164.9 109 -0.8 2 -1.3 0 0.0 0 0.0 13 44
113 A 113 ASP D S e S+ 0 0 -82.3 -35.4 179.7 18.6 97.8 34.9 33 -2.2 3 -2.4 0 0.0 0 0.0 12 46
114 A 114 PHE F E E Aac - 3 34 -139.4 135.4 176.1 -170.7 58.8 179.4 33 -1.9 35 -2.4 0 0.0 116 -0.5 13 61
115 A 115 ILE I E E Aac - 4 35 -124.4 110.1 -178.7 -165.0 15.6 166.5 3 -2.6 5 -2.6 0 0.0 117 -0.6 14 69
116 A 116 LEU L E E Aac - 5 36 -103.0 118.5 -178.4 -154.2 5.0 152.2 35 -2.3 37 -3.2 114 -0.5 118 -0.7 14 79
117 A 117 ILE I E E Aac - 6 37 -98.4 114.4 178.1 -149.2 5.7 145.0 5 -2.6 7 -2.9 115 -0.6 119 -0.8 16 76
118 A 118 ASP D E E Aac - 7 38 -78.2 111.7 -178.2 -164.4 28.7 134.8 37 -3.3 39 -1.6 116 -0.7 0 0.0 16 74
119 A 119 CYS C e - 0 0 -105.0 152.1 178.6 -117.4 21.7 134.8 7 -1.7 0 0.0 117 -0.8 0 0.0 15 70
120 A 120 PRO P - 0 0 -76.0 159.6 -179.4 -103.6 46.2 119.4 0 0.0 0 0.0 0 0.0 0 0.0 15 57
121 A 121 ALA A S S S+ 0 0 -81.7 166.2 177.5 34.3 74.4 109.6 0 0.0 0 0.0 0 0.0 0 0.0 10 56
122 A 122 GLY G S S S- 0 0 97.3 -166.7 -178.4 -78.3 87.1 115.9 9 -1.6 0 0.0 0 0.0 0 0.0 11 47
123 A 123 LEU L S S S+ 0 0 -127.2 12.6 179.1 116.3 80.4 78.5 0 0.0 0 0.0 0 0.0 0 0.0 7 41
124 A 124 GLN Q S h > TS- 0 0 -75.6 179.1 -176.9 -81.3 83.5 98.9 0 0.0 128 -2.9 0 0.0 0 0.0 6 31
125 A 125 LEU L H H > TS+ 0 0 -48.6 -59.1 -179.6 43.7 126.8 26.5 0 0.0 129 -2.9 0 0.0 0 0.0 7 32
126 A 126 ASP D H H > TS+ 0 0 -56.0 -45.8 -179.6 48.8 116.7 22.5 0 0.0 130 -1.9 0 0.0 0 0.0 11 48
127 A 127 ALA A H H > TS+ 0 0 -60.2 -48.7 -179.6 44.5 114.3 21.3 0 0.0 131 -2.7 0 0.0 0 0.0 13 53
128 A 128 MET M H H X TS+ 0 0 -63.9 -42.9 -179.8 53.8 110.9 25.4 124 -2.9 132 -2.8 0 0.0 0 0.0 10 53
129 A 129 SER S H H < TS+ 0 0 -59.8 -39.1 -179.6 42.1 114.3 29.0 125 -2.9 0 0.0 0 0.0 0 0.0 13 51
130 A 130 ALA A H H < > TS+ 0 0 -73.3 -54.4 -179.3 46.1 115.9 15.1 126 -1.9 133 -2.0 0 0.0 0 0.0 17 68
131 A 131 MET M H H < > TS+ 0 0 -56.2 -42.2 -179.2 55.7 109.5 27.2 127 -2.7 134 -1.7 0 0.0 0 0.0 14 68
132 A 132 LEU L T h < 3 TS+ 0 0 -72.6 0.5 178.4 74.2 91.4 63.0 128 -2.8 0 0.0 0 0.0 0 0.0 12 57
133 A 133 SER S T T < TS+ 0 0 -85.9 -11.9 -179.9 75.2 90.3 54.3 130 -2.0 0 0.0 0 0.0 0 0.0 13 59
134 A 134 GLY G t < T - 0 0 -99.0 168.8 179.7 -152.3 65.3 120.4 131 -1.7 0 0.0 0 0.0 0 0.0 14 63
135 A 135 GLU E S e S+ 0 0 -106.8 -26.6 -179.9 35.7 87.1 52.0 4 -2.6 164 -2.7 0 0.0 0 0.0 12 52
136 A 136 GLU E E E Abf S- 5 164 -125.9 158.1 179.8 -146.2 72.8 152.5 4 -2.3 6 -3.3 0 0.0 0 0.0 12 56
137 A 137 ALA A E E Abf - 6 165 -133.6 133.3 178.0 -164.1 7.0 172.0 164 -2.3 166 -1.7 0 0.0 167 -0.9 17 68
138 A 138 LEU L E E Abf - 7 167 -114.1 109.4 -179.1 -142.2 23.4 162.0 6 -2.9 8 -1.9 0 0.0 0 0.0 13 81
139 A 139 LEU L E E Abf - 8 168 -75.6 132.8 178.7 -161.5 12.7 122.9 167 -2.5 169 -2.8 0 0.0 0 0.0 14 79
140 A 140 VAL V E E A f + 0 169 -117.1 127.0 -178.8 154.0 22.3 165.8 8 -2.8 0 0.0 0 0.0 0 0.0 15 76
141 A 141 THR T E E A f - 0 170 -147.4 164.6 177.9 -127.2 35.0 162.2 169 -2.1 171 -2.7 0 0.0 0 0.0 17 69
142 A 142 ASN N - 0 0 -107.4 167.8 -179.6 -92.1 45.1 130.7 0 0.0 144 -0.6 0 0.0 0 0.0 11 58
143 A 143 PRO P S S S+ 0 0 -69.0 24.9 179.3 114.4 88.9 83.5 0 0.0 180 -1.6 0 0.0 0 0.0 14 48
144 A 144 GLU E h > T - 0 0 -100.3 131.3 -179.2 -139.2 66.8 148.5 142 -0.6 148 -3.0 0 0.0 0 0.0 9 45
145 A 145 ILE I H H > TS+ 0 0 -53.5 -43.7 179.9 50.5 105.8 26.2 0 0.0 149 -3.2 0 0.0 0 0.0 7 36
146 A 146 SER S H H > TS+ 0 0 -62.9 -38.1 179.7 46.8 112.4 28.0 0 0.0 150 -2.1 0 0.0 0 0.0 6 31
147 A 147 CYS C H H > TS+ 0 0 -70.7 -38.1 179.4 49.5 113.6 27.2 0 0.0 151 -2.4 0 0.0 0 0.0 12 45
148 A 148 LEU L H H X TS+ 0 0 -64.5 -52.2 -179.6 43.8 113.7 16.2 144 -3.0 152 -2.5 0 0.0 0 0.0 15 52
149 A 149 THR T H H X TS+ 0 0 -61.9 -40.1 179.3 49.8 114.9 27.7 145 -3.2 153 -2.1 0 0.0 0 0.0 11 39
150 A 150 ASP D H H X TS+ 0 0 -64.5 -46.4 -180.0 45.2 113.3 19.9 146 -2.1 154 -1.6 0 0.0 0 0.0 11 40
151 A 151 THR T H H X TS+ 0 0 -64.7 -36.0 178.9 57.6 109.1 29.8 147 -2.4 155 -2.4 0 0.0 0 0.0 15 58
152 A 152 MET M H H X TS+ 0 0 -58.6 -46.6 179.8 52.6 104.0 20.8 148 -2.5 156 -2.4 0 0.0 0 0.0 11 50
153 A 153 LYS K H H X TS+ 0 0 -57.2 -41.2 179.3 51.1 107.6 28.3 149 -2.1 157 -2.3 0 0.0 0 0.0 9 40
154 A 154 VAL V H H X TS+ 0 0 -63.0 -44.0 179.6 51.8 108.9 21.7 150 -1.6 158 -2.9 0 0.0 0 0.0 13 57
155 A 155 GLY G H H X TS+ 0 0 -58.8 -42.3 179.6 50.6 108.4 25.8 151 -2.4 159 -2.7 0 0.0 0 0.0 11 53
156 A 156 ILE I H H X TS+ 0 0 -62.2 -43.8 179.5 49.0 111.1 22.8 152 -2.4 160 -2.3 0 0.0 0 0.0 8 39
157 A 157 VAL V H H X TS+ 0 0 -60.8 -50.2 -179.9 44.8 114.0 18.3 153 -2.3 161 -1.7 0 0.0 0 0.0 8 43
158 A 158 LEU L H H < >TS+ 0 0 -62.5 -37.6 179.6 55.4 110.6 29.1 154 -2.9 163 -2.2 0 0.0 0 0.0 13 47
159 A 159 LYS K H H < >5TS+ 0 0 -60.8 -44.9 179.7 45.5 109.9 21.5 155 -2.7 162 -1.2 0 0.0 0 0.0 10 37
160 A 160 LYS K H H < 35TS+ 0 0 -68.1 -28.3 179.8 61.5 106.0 37.4 156 -2.3 0 0.0 0 0.0 0 0.0 7 22
161 A 161 ALA A T h < 35TS- 0 0 -74.7 -9.0 179.0 -99.0 126.9 55.1 157 -1.7 0 0.0 0 0.0 0 0.0 7 27
162 A 162 GLY G T T <5TS+ 0 0 109.5 -5.3 -179.8 138.1 76.3 68.4 159 -1.2 0 0.0 0 0.0 0 0.0 7 26
163 A 163 LEU L t TS+ 0 0 60.9 36.3 179.7 172.6 77.3 34.3 197 -0.7 175 -1.2 0 0.0 0 0.0 12 51
173 A 173 TYR Y E E A g3 T + 0 198 -78.7 131.1 -179.9 31.2 61.2 127.2 197 -1.9 199 -2.5 0 0.0 0 0.0 13 46
174 A 174 GLY G T T 3 TS+ 0 0 103.4 0.3 -179.9 116.7 80.3 66.0 0 0.0 0 0.0 0 0.0 0 0.0 8 32
175 A 175 ARG R S t < TS+ 0 0 -69.6 -28.4 -179.8 16.6 84.3 38.2 172 -1.2 0 0.0 0 0.0 0 0.0 8 30
176 A 176 SER S t > T - 0 0 -147.3 148.5 179.5 -125.3 69.5 175.8 0 0.0 179 -2.0 0 0.0 0 0.0 6 21
177 A 177 ASP D T T 3 TS+ 0 0 -69.0 -1.5 -179.5 64.2 111.9 60.0 0 0.0 0 0.0 0 0.0 0 0.0 5 16
178 A 178 ARG R T T 3 TS+ 0 0 -100.1 -3.2 -179.7 126.5 74.3 63.6 0 0.0 0 0.0 0 0.0 0 0.0 4 20
179 A 179 ASP D t < T - 0 0 -59.3 138.9 178.6 -115.6 67.3 105.3 176 -2.0 0 0.0 0 0.0 0 0.0 10 31
180 A 180 ILE I - 0 0 -76.1 123.0 179.9 -115.8 36.9 129.5 143 -1.6 0 0.0 0 0.0 0 0.0 9 34
181 A 181 PRO P h > T - 0 0 -59.7 150.5 -179.7 -109.8 24.3 103.4 0 0.0 185 -2.6 0 0.0 0 0.0 7 35
182 A 182 PRO P H H > TS+ 0 0 -47.6 -49.2 -179.5 53.5 115.7 31.1 0 0.0 186 -2.9 0 0.0 0 0.0 9 41
183 A 183 GLU E H H > TS+ 0 0 -57.2 -42.2 179.7 41.4 115.6 24.2 0 0.0 187 -1.6 0 0.0 0 0.0 6 30
184 A 184 ALA A H H > TS+ 0 0 -73.0 -36.1 179.7 54.9 112.2 31.7 0 0.0 188 -1.5 0 0.0 0 0.0 8 32
185 A 185 ALA A H H X TS+ 0 0 -64.1 -41.3 179.7 47.9 108.9 25.3 181 -2.6 189 -2.9 0 0.0 0 0.0 12 42
186 A 186 GLU E H H X TS+ 0 0 -65.7 -40.2 179.5 56.4 107.1 25.8 182 -2.9 190 -2.1 0 0.0 0 0.0 11 42
187 A 187 ASP D H H < TS+ 0 0 -59.4 -32.5 179.9 42.0 113.8 33.0 183 -1.6 0 0.0 0 0.0 0 0.0 7 26
188 A 188 VAL V H H < TS+ 0 0 -79.8 -49.8 -179.0 52.4 111.1 21.8 184 -1.5 0 0.0 0 0.0 0 0.0 8 36
189 A 189 MET M H H < TS- 0 0 -57.4 -35.5 -179.6 -146.6 88.3 36.4 185 -2.9 0 0.0 0 0.0 0 0.0 11 48
190 A 190 GLU E h < T + 0 0 75.3 9.1 178.2 91.9 68.6 54.9 186 -2.1 0 0.0 0 0.0 0 0.0 7 36
191 A 191 VAL V S S S- 0 0 -131.6 154.3 -179.6 -77.6 90.7 160.5 0 0.0 0 0.0 0 0.0 0 0.0 9 43
192 A 192 PRO P e - 0 0 -54.0 132.4 177.6 -127.1 38.5 101.9 0 0.0 168 -2.6 0 0.0 194 -0.9 9 38
193 A 193 LEU L E E Ag + 168 0 -81.8 109.2 -178.4 179.1 30.5 138.1 0 0.0 0 0.0 0 0.0 0 0.0 11 47
194 A 194 LEU L E E A* - 0 0 -86.1 -24.8 179.9 -10.2 59.5 42.1 168 -2.6 0 0.0 192 -0.9 0 0.0 10 48
195 A 195 ALA A E E Ag - 169 0 -173.6 147.9 177.7 -138.0 48.5 158.7 168 -1.0 170 -2.6 0 0.0 197 -0.6 11 55
196 A 196 VAL V E E Ag - 170 0 -112.0 116.2 178.7 -164.2 20.4 164.7 0 0.0 0 0.0 0 0.0 0 0.0 11 57
197 A 197 ILE I E E Ag - 171 0 -102.3 114.0 -179.6 -138.0 19.1 155.7 170 -2.2 173 -1.9 195 -0.6 172 -0.7 12 62
198 A 198 PRO P E E Ag - 173 0 -70.8 157.4 176.5 -95.9 25.9 105.6 0 0.0 0 0.0 0 0.0 0 0.0 12 49
199 A 199 GLU E e + 0 0 -68.0 123.8 -177.6 171.3 60.5 128.9 173 -2.5 0 0.0 0 0.0 0 0.0 11 45
200 A 200 ASP D h > > T - 0 0 -148.2 117.5 179.6 -147.9 42.5 156.1 0 0.0 203 -2.0 0 0.0 204 -1.1 10 39
201 A 201 PRO P H H > 3 TS+ 0 0 -50.6 -29.6 180.0 68.6 100.0 36.7 0 0.0 205 -2.6 0 0.0 0 0.0 6 34
202 A 202 ALA A H H > 3 TS+ 0 0 -59.8 -34.6 179.8 52.6 96.1 32.5 0 0.0 206 -2.1 0 0.0 0 0.0 10 40
203 A 203 ILE I H H > < TS+ 0 0 -67.5 -45.1 178.8 46.6 110.1 21.6 200 -2.0 207 -2.2 0 0.0 0 0.0 13 51
204 A 204 ARG R H H X TS+ 0 0 -63.2 -39.3 179.9 54.6 110.4 26.7 200 -1.1 208 -2.2 0 0.0 0 0.0 9 44
205 A 205 GLU E H H X TS+ 0 0 -61.4 -42.8 179.3 49.2 107.6 23.3 201 -2.6 209 -2.1 0 0.0 0 0.0 9 33
206 A 206 GLY G H H X >TS+ 0 0 -61.9 -43.3 179.4 55.3 107.6 23.2 202 -2.1 210 -1.8 0 0.0 211 -1.8 14 47
207 A 207 THR T H H < 5TS+ 0 0 -53.7 -50.9 -179.1 41.5 112.4 20.4 203 -2.2 0 0.0 0 0.0 0 0.0 12 44
208 A 208 LEU L H H < 5TS+ 0 0 -68.7 -30.5 -179.6 54.5 113.5 36.1 204 -2.2 0 0.0 0 0.0 0 0.0 8 31
209 A 209 GLU E H H < 5TS- 0 0 -76.0 -24.2 -178.1 -124.0 106.2 42.6 205 -2.1 0 0.0 0 0.0 0 0.0 9 29
210 A 210 GLY G T h < 5TS+ 0 0 84.0 19.5 178.8 100.8 84.4 44.1 206 -1.8 0 0.0 0 0.0 0 0.0 10 40
211 A 211 ILE I S t > T - 0 0 -50.6 135.8 -179.2 -121.6 22.7 100.3 0 0.0 216 -2.6 0 0.0 215 -2.3 16 60
213 A 213 ALA A H H > 3 TS+ 0 0 -49.4 -33.5 -178.9 74.3 106.9 38.1 0 0.0 217 -1.8 0 0.0 0 0.0 17 53
214 A 214 VAL V H H 4 3 TS+ 0 0 -53.3 -31.8 179.0 18.0 117.6 32.6 0 0.0 0 0.0 0 0.0 0 0.0 15 55
215 A 215 LYS K H H 4 < TS+ 0 0 -106.0 -41.5 -178.9 55.3 124.2 37.0 212 -2.3 0 0.0 0 0.0 0 0.0 10 49
216 A 216 TYR Y H H < TS+ 0 0 -59.8 -47.8 179.1 16.8 128.2 23.1 212 -2.6 0 0.0 0 0.0 0 0.0 8 41
217 A 217 LYS K S h < > TS+ 0 0 -129.0 75.5 -179.1 175.5 75.6 130.8 213 -1.8 220 -1.8 0 0.0 0 0.0 10 30
218 A 218 PRO P T T 3 TS+ 0 0 -56.2 -18.0 179.9 52.3 75.3 55.7 0 0.0 0 0.0 0 0.0 0 0.0 9 32
219 A 219 GLU E T T 3 TS+ 0 0 -102.7 0.8 178.9 110.6 83.4 65.4 0 0.0 0 0.0 0 0.0 0 0.0 6 26
220 A 220 SER S S h > < TS- 0 0 -71.6 156.5 179.6 -116.9 79.8 111.1 217 -1.8 224 -2.3 0 0.0 0 0.0 11 32
221 A 221 LYS K H H > TS+ 0 0 -60.6 -38.8 179.6 52.8 116.5 28.0 0 0.0 225 -2.1 0 0.0 0 0.0 8 36
222 A 222 GLY G H H > TS+ 0 0 -63.0 -45.2 -180.0 49.3 108.1 22.5 0 0.0 226 -2.0 0 0.0 0 0.0 14 48
223 A 223 ALA A H H > TS+ 0 0 -59.8 -49.3 -179.4 48.5 111.8 20.0 0 0.0 227 -1.8 0 0.0 0 0.0 15 46
224 A 224 LYS K H H X TS+ 0 0 -61.2 -37.5 179.3 53.4 108.8 29.9 220 -2.3 228 -1.9 0 0.0 0 0.0 11 40
225 A 225 ALA A H H X TS+ 0 0 -65.4 -39.3 179.3 49.8 108.8 25.9 221 -2.1 229 -2.2 0 0.0 0 0.0 12 51
226 A 226 PHE F H H X TS+ 0 0 -68.1 -33.3 178.6 54.6 106.7 32.1 222 -2.0 230 -2.3 0 0.0 0 0.0 15 60
227 A 227 VAL V H H X TS+ 0 0 -64.8 -41.7 179.0 47.2 110.2 23.0 223 -1.8 231 -1.7 0 0.0 0 0.0 12 45
228 A 228 LYS K H H X TS+ 0 0 -65.8 -39.1 178.7 53.8 109.3 27.6 224 -1.9 232 -2.5 0 0.0 0 0.0 9 41
229 A 229 LEU L H H X TS+ 0 0 -60.5 -44.4 179.9 51.6 106.8 22.5 225 -2.2 233 -2.9 0 0.0 0 0.0 11 53
230 A 230 ALA A H H X TS+ 0 0 -59.0 -40.3 179.3 51.4 108.8 27.0 226 -2.3 234 -1.8 0 0.0 0 0.0 11 55
231 A 231 GLU E H H X TS+ 0 0 -61.9 -47.5 179.9 47.1 111.5 19.7 227 -1.7 235 -1.7 0 0.0 0 0.0 9 37
232 A 232 GLU E H H X TS+ 0 0 -61.0 -44.9 179.8 55.4 107.6 25.4 228 -2.5 236 -1.7 0 0.0 0 0.0 9 39
233 A 233 ILE I H H < TS+ 0 0 -56.0 -42.7 179.9 49.7 108.0 25.7 229 -2.9 0 0.0 0 0.0 0 0.0 10 55
234 A 234 GLU E H H < > TS+ 0 0 -64.5 -38.8 -179.7 55.2 107.0 28.2 230 -1.8 237 -1.4 0 0.0 0 0.0 7 40
235 A 235 LYS K H H < 3 TS+ 0 0 -63.7 -33.8 -179.3 60.6 99.4 34.3 231 -1.7 0 0.0 0 0.0 0 0.0 6 27
236 A 236 LEU L T h < 3 T 0 0 -76.2 3.8 179.8 999.9 999.9 66.0 232 -1.7 0 0.0 0 0.0 0 0.0 6 31
237 A 237 ALA A t < T 0 0 -60.6 999.9 999.9 999.9 999.9 99.1 234 -1.4 0 0.0 0 0.0 0 0.0 4 28
1g3qA.pdb
1G3Q CELL CYCLE, HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEE SSTTSSHHHHHHHHHHHHHHTT EEEEE TTS HHHHTT SS HHHHHTTSS GGGG EE SSTTEEEE SHHHHHH GGG Kabs/Sand
chirality +----++-+-++-+++++++++++++++-+------+++++-++++++-++++-++-+++++-++--++++----+--++------+-++++++--+++ chirality
bends SSSSSSSSSSSSSSSSSSSSSS SSS SSSSSS SS SSSSSSSSS SSSS SSSS SSSSSSS SSS bends
turns TTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTT TTTTTTTTT TTTTTT TTTT TTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >33< >>3<< >33< >33< >33<>33< >>><<< >33< >>3< 3-turns
bridge-2 bbbb dddd EE bridge-2
bridge-1 aaaaa ccccc EE dddd bridge-1
sheets AAAAAA AAAAA AA AAAA sheets
4-turns >>>>XXXXXXXX<<<< >>44<< >>>4<<< >>>><<<< > 4-turns
summary EEEEEE StTTthHHHHHHHHHHHHHHhTteEEEEEetTTt hHHHHhTt SShHHHHHhTtSgGGGGgEEeStTeEEEE hHHHHHHhgGGh summary
sequence MGRIISIVSGKGGTGKTTVTANLSVALGDRGRKVLAVDGDLTMANLSLVLGVDDPDVTLHDVLAGEANVEDAIYMTQFDNVYVLPGAVDWEHVLKADPRK sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHGGGGG SEEEEE SSSSHHHHHHHTT SEEEEEE S HHHHHHHHHHHHHHHHTT EEEEEEEEEETS TT HHHHHHHH S EEEEEE Kabs/Sand
chirality +++++++++++-+-------+-+-+++++++++-+----+--+-++++++++++++++++-+--------+++++-++---+++++++-+--+-----+- chirality
bends SSSSSSSSSSS S SSSSSSSSSSSSS SS S SSSSSSSSSSSSSSSSSS S SS SS SSSSSSSS S bends
turns TTTTTTTTTTTT TTTTTTTTTTT TTTTTTTTTTTTTTTTTTTT TTTTTTTT TTTTTTTTTT T turns
5-turns >5555< 5-turns
3-turns < >>3XX3<< >>3<< >33< >33<>33< > 3-turns
bridge-2 ccccc ffffff gggg*g bridge-2
bridge-1 aaaaa bbbb ff*ffff g*gggg bridge-1
sheets AAAAA AAAAAA AAAAAAAAAA AAAAAA sheets
4-turns >>><<<< >>>>X<<<< >>>>XXXXXXXXXX<<<< >>>>XX<<<< > 4-turns
summary HHHHHHhGGGGgeEEEEEe SSShHHHHHHHhTteEEEEEE ShHHHHHHHHHHHHHHHHhTtEEEEEEEEEETttTTt hHHHHHHHHhSeEEEEEEeh summary
sequence LPEVIKSLKDKFDFILIDCPAGLQLDAMSAMLSGEEALLVTNPEISCLTDTMKVGIVLKKAGLAILGFVLNRYGRSDRDIPPEAAEDVMEVPLLAVIPED sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHTS HHHHSTTSHHHHHHHHHHHHHHHT Kabs/Sand
chirality ++++++++-+--+++++++-+++++++++++++++ chirality
bends SSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns 33< >33< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>XXX<<<< >>44<< >>>>XXXXXXXXX<<<< 4-turns
summary HHHHHHHHHhthHHHHhTThHHHHHHHHHHHHHHHht summary
sequence PAIREGTLEGIPAVKYKPESKGAKAFVKLAEEIEKLA sequence
210 220 230