Secondary structure calculation program - copyright by David Keith Smith, 1989
1tib-.pdb
1TIB HYDROLASE(CARBOXYLIC ESTERASE) LIPASE (E.C.3.1.1.3) (TRIACYLGLYCEROL ACYLHYDROLAS (HUMICOLA LANUGINOSA)
Sequence length - 269
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 1 GLU E 0 0 999.9 135.7 177.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 8 27
2 2 VAL V - 0 0 -122.3 169.9 176.3 -86.9 999.9 151.0 232 -2.4 0 0.0 0 0.0 0 0.0 10 31
3 3 SER S h > T - 0 0 -67.3 164.2 177.5 -119.0 32.9 102.1 0 0.0 7 -2.0 0 0.0 0 0.0 7 22
4 4 GLN Q H H > TS+ 0 0 -71.9 -37.4 176.8 57.0 114.8 25.9 0 0.0 8 -2.0 0 0.0 0 0.0 7 18
5 5 ASP D H H > TS+ 0 0 -59.1 -47.7 176.6 40.4 110.8 29.5 0 0.0 9 -1.3 0 0.0 0 0.0 6 18
6 6 LEU L H H > TS+ 0 0 -72.2 -37.9 174.9 55.2 112.9 29.9 0 0.0 10 -2.6 0 0.0 0 0.0 8 36
7 7 PHE F H H X TS+ 0 0 -58.2 -46.3 179.6 51.1 107.3 29.9 3 -2.0 11 -2.0 0 0.0 0 0.0 11 40
8 8 ASN N H H X TS+ 0 0 -61.6 -42.7 177.2 47.4 111.3 24.6 4 -2.0 12 -2.0 0 0.0 0 0.0 8 38
9 9 GLN Q H H X TS+ 0 0 -64.4 -43.5 177.7 51.5 110.9 25.9 5 -1.3 13 -2.4 0 0.0 0 0.0 8 49
10 10 PHE F H H X TS+ 0 0 -60.7 -42.3 178.6 47.2 111.9 24.6 6 -2.6 14 -1.4 0 0.0 0 0.0 9 60
11 11 ASN N H H X TS+ 0 0 -65.3 -47.6 -178.6 50.4 111.7 26.8 7 -2.0 15 -1.8 0 0.0 0 0.0 9 58
12 12 LEU L H H X TS+ 0 0 -60.7 -50.4 179.4 44.4 112.6 17.9 8 -2.0 16 -2.1 0 0.0 0 0.0 10 63
13 13 PHE F H H X TS+ 0 0 -69.0 -27.6 173.2 60.0 107.9 39.7 9 -2.4 17 -2.1 0 0.0 0 0.0 11 76
14 14 ALA A H H X TS+ 0 0 -63.5 -40.4 179.6 44.1 109.3 24.6 10 -1.4 18 -2.0 0 0.0 0 0.0 14 69
15 15 GLN Q H H X TS+ 0 0 -73.4 -38.0 174.9 52.5 110.8 22.0 11 -1.8 19 -3.1 0 0.0 0 0.0 14 68
16 16 TYR Y H H X TS+ 0 0 -61.9 -40.9 176.2 45.7 113.3 27.1 12 -2.1 20 -0.8 0 0.0 0 0.0 13 78
17 17 SER S H H < TS+ 0 0 -65.5 -41.1 178.1 51.1 111.9 27.9 13 -2.1 0 0.0 0 0.0 0 0.0 16 79
18 18 ALA A H H < > TS+ 0 0 -62.7 -38.3 180.0 60.5 103.2 23.2 14 -2.0 21 -1.3 0 0.0 0 0.0 18 67
19 19 ALA A H H < > TS+ 0 0 -66.2 -26.1 177.3 68.8 90.6 38.0 15 -3.1 22 -1.3 0 0.0 0 0.0 14 76
20 20 ALA A T h < 3 TS+ 0 0 -63.1 -25.2 178.5 59.1 93.5 42.3 16 -0.8 0 0.0 0 0.0 0 0.0 16 73
21 21 TYR Y T G < TS+ 0 0 -79.8 -22.2 177.1 97.3 78.4 47.7 18 -1.3 23 -0.6 0 0.0 0 0.0 15 61
22 22 CYS C S g X TS- 0 0 -73.1 123.9 -178.7 -142.7 73.9 127.1 19 -1.3 25 -1.8 0 0.0 0 0.0 12 50
23 23 GLY G G G > TS+ 0 0 -52.7 -42.7 177.5 60.5 97.1 22.6 21 -0.6 26 -2.7 0 0.0 0 0.0 9 44
24 24 LYS K G G 3 TS+ 0 0 -64.1 -14.0 174.3 60.8 97.0 46.0 0 0.0 0 0.0 0 0.0 0 0.0 6 40
25 25 ASN N G G < TS+ 0 0 -91.2 -1.2 178.7 57.5 100.0 73.5 22 -1.8 0 0.0 0 0.0 0 0.0 14 56
26 26 ASN N S g < TS+ 0 0 -110.0 -4.8 -179.2 32.7 114.5 66.7 23 -2.7 0 0.0 0 0.0 0 0.0 13 49
27 27 ASP D S S S+ 0 0 -134.7 16.7 -178.0 130.4 87.4 79.2 0 0.0 0 0.0 0 0.0 0 0.0 9 37
28 28 ALA A - 0 0 -78.6 144.8 179.7 -107.6 59.5 119.9 0 0.0 0 0.0 0 0.0 0 0.0 10 32
29 29 PRO P t > T - 0 0 -69.4 150.9 178.4 -93.0 43.2 112.7 0 0.0 32 -1.5 0 0.0 0 0.0 8 25
30 30 ALA A T T 3 TS+ 0 0 -59.3 146.8 179.8 29.6 112.2 109.3 0 0.0 0 0.0 0 0.0 0 0.0 9 33
31 31 GLY G T T 3 TS+ 0 0 85.3 -7.9 179.3 117.3 90.3 73.1 51 -3.3 0 0.0 0 0.0 0 0.0 7 28
32 32 THR T S t < TS- 0 0 -92.5 161.0 -177.5 -92.8 71.2 126.1 29 -1.5 51 -2.5 0 0.0 0 0.0 8 30
33 33 ASN N B B A - 50 0 -76.4 141.3 176.6 -122.8 28.8 121.5 0 0.0 0 0.0 0 0.0 0 0.0 9 40
34 34 ILE I + 0 0 -78.6 123.6 178.0 169.8 42.6 132.0 49 -2.6 0 0.0 0 0.0 0 0.0 12 56
35 35 THR T - 0 0 -137.1 157.5 -179.0 -149.5 21.3 164.4 0 0.0 0 0.0 0 0.0 0 0.0 9 47
36 36 CYS C g > T - 0 0 -123.7 136.9 176.1 -125.1 16.7 171.5 0 0.0 39 -0.6 0 0.0 0 0.0 12 46
37 37 THR T G G > TS+ 0 0 -76.9 155.5 178.9 18.9 92.8 114.1 0 0.0 40 -1.1 0 0.0 0 0.0 8 31
38 38 GLY G G G 3 TS- 0 0 59.3 38.9 -177.8 -68.9 128.4 35.1 0 0.0 0 0.0 0 0.0 0 0.0 5 27
39 39 ASN N G G < TS+ 0 0 55.8 35.4 -178.8 146.7 86.5 42.4 36 -0.6 0 0.0 0 0.0 0 0.0 6 31
40 40 ALA A S g < TS+ 0 0 -77.9 -16.1 178.8 19.8 76.2 41.0 37 -1.1 0 0.0 0 0.0 0 0.0 13 43
41 41 CYS C h > T + 0 0 -151.4 62.7 -178.3 153.7 65.2 104.1 0 0.0 45 -2.3 0 0.0 0 0.0 12 50
42 42 PRO P H H > TS+ 0 0 -64.0 -34.2 176.1 50.5 79.9 33.8 0 0.0 46 -2.0 0 0.0 0 0.0 9 37
43 43 GLU E H H > TS+ 0 0 -70.5 -33.6 177.0 53.3 108.4 35.7 0 0.0 47 -2.0 0 0.0 0 0.0 8 42
44 44 VAL V H H 4 >TS+ 0 0 -62.3 -52.9 179.0 43.4 113.5 12.6 0 0.0 49 -1.4 0 0.0 0 0.0 13 54
45 45 GLU E H H < >5TS+ 0 0 -64.3 -33.9 178.2 54.5 111.2 28.2 41 -2.3 48 -0.8 0 0.0 0 0.0 12 40
46 46 LYS K H H < 35TS+ 0 0 -69.3 -33.7 173.6 52.2 106.1 34.9 42 -2.0 0 0.0 0 0.0 0 0.0 7 31
47 47 ALA A T h < 35TS- 0 0 -74.2 -12.0 -179.6 -131.7 108.2 64.8 43 -2.0 0 0.0 0 0.0 0 0.0 10 35
48 48 ASP D T T <5T - 0 0 54.9 51.8 -178.7 -173.6 36.4 20.9 45 -0.8 0 0.0 0 0.0 0 0.0 11 34
49 49 ALA A t T - 63 0 -99.1 162.9 177.5 -18.7 44.7 128.7 63 -2.8 63 -2.4 0 0.0 0 0.0 11 36
59 59 GLY G T T 5TS- 0 0 47.2 -136.4 179.9 -18.2 113.6 98.2 0 0.0 0 0.0 0 0.0 0 0.0 9 28
60 60 VAL V T T 5TS+ 0 0 -104.2 134.9 -179.9 20.7 127.1 142.3 0 0.0 0 0.0 0 0.0 0 0.0 10 33
61 61 GLY G T T 5TS- 0 0 82.4 19.6 177.7 -75.0 120.0 45.1 0 0.0 0 0.0 0 0.0 0 0.0 9 37
62 62 ASP D T T 5T - 0 0 58.9 57.9 178.2 -158.0 56.0 19.9 0 0.0 0 0.0 0 0.0 0 0.0 9 39
63 63 VAL V E E AA A B >T + 0 75 -121.7 104.4 178.3 180.0 10.6 156.7 75 -2.6 75 -1.9 0 0.0 74 -1.6 13 50
71 71 ASN N T T 4 5TS+ 0 0 -80.9 -3.2 179.5 56.3 80.6 60.0 69 -0.5 0 0.0 0 0.0 0 0.0 9 35
72 72 THR T T T 4 5TS+ 0 0 -86.7 -49.4 -179.7 26.2 122.1 27.7 0 0.0 0 0.0 0 0.0 0 0.0 6 30
73 73 ASN N T T 4 5TS- 0 0 -87.5 -15.2 178.0 -126.8 105.9 49.5 0 0.0 0 0.0 0 0.0 0 0.0 6 34
74 74 LYS K T e < 5T + 0 0 67.9 55.0 -177.8 143.9 58.5 16.2 70 -1.6 139 -1.9 0 0.0 0 0.0 10 37
75 75 LEU L E E ABc T - 0 0 -138.4 84.7 176.1 -171.7 63.8 130.8 0 0.0 88 -1.5 0 0.0 0 0.0 6 31
86 86 ILE I T h > > TS+ 0 0 -42.9 -38.9 -177.6 63.3 79.8 43.2 0 0.0 90 -1.4 0 0.0 89 -0.9 7 39
87 87 GLU E H H > 3 TS+ 0 0 -65.7 -21.8 176.3 62.6 96.8 38.6 0 0.0 91 -0.7 0 0.0 0 0.0 6 27
88 88 ASN N H H 4 < TS+ 0 0 -70.8 -30.3 178.4 43.8 101.5 46.1 85 -1.5 0 0.0 0 0.0 0 0.0 7 22
89 89 TRP W H H 4 X TS+ 0 0 -103.1 -8.2 163.1 69.3 99.4 34.8 86 -0.9 92 -1.3 0 0.0 0 0.0 8 37
90 90 ILE I H H < 3 TS+ 0 0 -66.9 -24.9 164.3 49.3 102.9 22.2 86 -1.4 0 0.0 0 0.0 0 0.0 7 33
91 91 GLY G T h < 3 TS+ 0 0 -63.6 -28.6 176.4 136.0 93.2 36.5 87 -0.7 0 0.0 0 0.0 0 0.0 6 21
92 92 ASN N t < T + 0 0 -26.1 135.9 178.7 178.0 32.6 68.6 89 -1.3 0 0.0 0 0.0 0 0.0 7 30
93 93 LEU L + 0 0 -127.4 4.0 -179.7 94.7 56.2 68.4 0 0.0 95 -1.0 0 0.0 0 0.0 5 21
94 94 ASN N + 0 0 -103.1 66.5 178.2 124.7 38.8 115.9 0 0.0 112 -0.9 0 0.0 0 0.0 7 32
95 95 PHE F + 0 0 -107.0 24.4 171.1 140.4 30.2 81.4 93 -1.0 0 0.0 0 0.0 0 0.0 10 40
96 96 ASP D e - 0 0 -58.5 142.5 178.9 -123.8 54.2 105.2 0 0.0 111 -2.3 0 0.0 0 0.0 6 33
97 97 LEU L E E BD - 110 0 -91.7 144.0 178.0 -160.2 25.4 134.0 0 0.0 0 0.0 0 0.0 0 0.0 11 40
98 98 LYS K E E BD - 109 0 -123.5 150.2 178.2 -99.9 26.7 161.5 109 -2.8 109 -2.5 0 0.0 0 0.0 9 36
99 99 GLU E E E BD + 108 0 -66.6 139.3 177.6 176.9 33.6 117.8 0 0.0 0 0.0 0 0.0 0 0.0 8 33
100 100 ILE I e > > T + 0 0 -140.6 58.1 -178.1 144.4 25.3 120.5 107 -2.5 104 -2.2 0 0.0 103 -1.2 11 42
101 101 ASN N T T 4 3 T + 0 0 -71.3 -29.0 172.5 68.0 65.1 28.4 0 0.0 0 0.0 0 0.0 0 0.0 9 30
102 102 ASP D T T 4 3 TS+ 0 0 -62.4 -21.9 174.2 38.6 108.2 52.9 0 0.0 0 0.0 0 0.0 0 0.0 5 28
103 103 ILE I T T 4 < TS- 0 0 -96.1 -50.1 178.6 -16.3 138.4 33.9 100 -1.2 0 0.0 0 0.0 0 0.0 8 44
104 104 CYS C S t < > TS- 0 0 -159.9 150.5 -177.5 -95.0 75.0 168.6 100 -2.2 107 -1.0 0 0.0 0 0.0 9 36
105 105 SER S T T 3 TS+ 0 0 -76.8 122.4 -179.6 6.3 109.3 121.0 0 0.0 0 0.0 0 0.0 0 0.0 8 22
106 106 GLY G T T 3 TS+ 0 0 93.6 -10.9 -177.1 138.5 96.6 80.3 0 0.0 0 0.0 0 0.0 0 0.0 9 25
107 107 CYS C e < T - 0 0 -66.8 136.3 177.5 -172.8 31.0 111.3 104 -1.0 100 -2.5 0 0.0 0 0.0 14 39
108 108 ARG R E E BD - 99 0 -133.0 147.1 -177.7 -165.8 3.5 163.2 0 0.0 178 -2.0 0 0.0 0 0.0 13 46
109 109 GLY G E E BDB - 98 177 -133.4 158.9 179.8 -76.4 36.1 150.7 98 -2.5 98 -2.8 0 0.0 0 0.0 14 58
110 110 HIS H E E >BD T - 97 0 -57.9 138.5 -177.0 -131.7 38.0 106.7 176 -2.8 114 -3.0 0 0.0 0 0.0 13 57
111 111 ASP D H H > TS+ 0 0 -59.6 -49.9 178.6 47.9 104.4 23.0 96 -2.3 115 -2.1 0 0.0 0 0.0 11 40
112 112 GLY G H H > TS+ 0 0 -57.2 -55.7 -178.3 43.0 115.2 20.3 94 -0.9 116 -2.5 0 0.0 0 0.0 9 50
113 113 PHE F H H > TS+ 0 0 -64.6 -43.6 -179.9 46.2 116.3 27.6 0 0.0 117 -2.3 0 0.0 0 0.0 13 62
114 114 THR T H H X TS+ 0 0 -66.9 -40.0 178.5 48.3 113.2 25.2 110 -3.0 118 -2.8 0 0.0 0 0.0 12 51
115 115 SER S H H X TS+ 0 0 -62.3 -49.9 177.4 48.5 113.2 17.9 111 -2.1 119 -2.6 0 0.0 0 0.0 10 42
116 116 SER S H H X TS+ 0 0 -56.2 -53.4 178.2 46.6 113.1 16.3 112 -2.5 120 -1.0 0 0.0 0 0.0 14 49
117 117 TRP W H H X > TS+ 0 0 -51.2 -55.3 176.6 52.8 111.9 17.6 113 -2.3 121 -1.6 0 0.0 120 -1.4 12 57
118 118 ARG R H H X > TS+ 0 0 -47.4 -49.3 178.4 58.3 101.7 27.1 114 -2.8 121 -0.6 0 0.0 122 -0.5 8 41
119 119 SER S H H < 3 TS+ 0 0 -57.5 -30.1 179.3 27.8 120.2 48.2 115 -2.6 0 0.0 0 0.0 0 0.0 10 30
120 120 VAL V H H X < TS+ 0 0 -109.7 -2.5 -175.4 98.8 91.5 65.8 117 -1.4 124 -2.7 116 -1.0 0 0.0 12 43
121 121 ALA A H H X < TS+ 0 0 -58.2 -42.8 177.0 53.3 81.5 31.6 117 -1.6 125 -2.9 118 -0.6 0 0.0 9 47
122 122 ASP D H H X TS+ 0 0 -53.8 -59.5 -179.7 39.8 115.5 12.0 118 -0.5 126 -1.8 0 0.0 0 0.0 8 25
123 123 THR T H H > TS+ 0 0 -56.2 -53.8 -174.5 44.3 119.2 21.3 0 0.0 127 -1.6 0 0.0 0 0.0 7 33
124 124 LEU L H H X TS+ 0 0 -68.0 -42.8 175.5 55.1 109.0 27.1 120 -2.7 128 -2.5 0 0.0 0 0.0 8 52
125 125 ARG R H H X TS+ 0 0 -54.4 -51.2 -179.8 47.2 110.1 20.9 121 -2.9 129 -2.9 0 0.0 0 0.0 9 45
126 126 GLN Q H H X TS+ 0 0 -48.3 -53.8 -179.1 48.4 113.3 17.2 122 -1.8 130 -3.5 0 0.0 0 0.0 8 31
127 127 LYS K H H X TS+ 0 0 -60.0 -41.1 177.8 46.9 112.9 25.4 123 -1.6 131 -1.7 0 0.0 0 0.0 8 38
128 128 VAL V H H X TS+ 0 0 -72.8 -44.3 178.0 49.0 114.6 21.4 124 -2.5 132 -2.6 0 0.0 0 0.0 10 54
129 129 GLU E H H X TS+ 0 0 -62.5 -42.4 175.6 51.1 108.6 26.7 125 -2.9 133 -2.2 0 0.0 0 0.0 8 41
130 130 ASP D H H X TS+ 0 0 -61.9 -43.5 179.5 47.1 113.3 25.6 126 -3.5 134 -1.4 0 0.0 0 0.0 8 34
131 131 ALA A H H X TS+ 0 0 -63.5 -41.7 178.9 51.0 110.4 26.8 127 -1.7 135 -1.4 0 0.0 0 0.0 9 42
132 132 VAL V H H < TS+ 0 0 -60.1 -49.4 179.3 51.3 109.8 18.7 128 -2.6 0 0.0 0 0.0 0 0.0 12 39
133 133 ARG R H H < TS+ 0 0 -60.8 -36.4 177.0 43.2 114.0 32.3 129 -2.2 0 0.0 0 0.0 0 0.0 7 24
134 134 GLU E H H < TS+ 0 0 -82.5 -25.2 -176.1 28.9 128.1 54.3 130 -1.4 0 0.0 0 0.0 0 0.0 6 24
135 135 HIS H h < > T + 0 0 -137.0 71.0 -172.8 165.6 69.3 130.3 131 -1.4 138 -0.8 0 0.0 0 0.0 7 29
136 136 PRO P T T 3 TS+ 0 0 -66.2 -22.0 178.9 54.0 72.9 40.7 0 0.0 0 0.0 0 0.0 0 0.0 6 27
137 137 ASP D T T 3 TS+ 0 0 -86.7 -17.5 179.7 100.9 87.6 51.8 0 0.0 0 0.0 0 0.0 0 0.0 5 26
138 138 TYR Y S t < TS- 0 0 -76.4 138.0 -179.4 -121.8 75.0 118.9 135 -0.8 0 0.0 0 0.0 0 0.0 9 34
139 139 ARG R E E Ac - 75 0 -78.0 139.8 179.3 -132.7 21.2 128.3 74 -1.9 76 -2.2 0 0.0 141 -0.5 9 43
140 140 VAL V E E Ace - 76 166 -104.3 130.6 -179.2 -178.8 26.8 148.9 165 -0.7 167 -2.2 0 0.0 0 0.0 13 62
141 141 VAL V E E Ace - 77 167 -129.9 130.7 177.2 -163.2 13.6 169.0 76 -3.1 78 -2.9 139 -0.5 0 0.0 12 70
142 142 PHE F E E Ace + 78 168 -110.2 131.1 179.9 163.5 25.1 160.7 167 -2.5 169 -2.4 0 0.0 0 0.0 15 76
143 143 THR T E E Ace + 79 169 -145.9 168.0 175.0 149.3 9.8 160.5 78 -2.8 80 -2.5 0 0.0 0 0.0 17 71
144 144 GLY G E E Ace - 80 170 174.2 163.6 175.7 -113.4 33.6 147.9 169 -1.2 171 -1.9 0 0.0 0 0.0 23 78
145 145 HIS H E E A e> TS- 0 171 -110.7 149.5 171.0 -25.4 75.9 145.4 80 -0.8 148 -2.4 0 0.0 0 0.0 19 77
146 146 SER S T h > > TS+ 0 0 58.4 -122.5 175.7 1.5 139.8 108.0 171 -3.1 150 -1.3 0 0.0 149 -1.1 16 74
147 147 LEU L H H > 3 TS+ 0 0 -68.2 -23.6 173.5 61.6 132.7 37.1 0 0.0 151 -2.4 0 0.0 0 0.0 13 74
148 148 GLY G H H > < TS+ 0 0 -63.7 -36.5 178.9 52.1 102.6 35.6 145 -2.4 152 -1.8 0 0.0 0 0.0 17 77
149 149 GLY G H H > < TS+ 0 0 -66.0 -36.1 174.6 51.0 107.4 34.5 146 -1.1 153 -1.9 0 0.0 0 0.0 18 76
150 150 ALA A H H X TS+ 0 0 -66.4 -47.4 176.4 47.0 112.3 21.3 146 -1.3 154 -2.0 0 0.0 0 0.0 16 71
151 151 LEU L H H X TS+ 0 0 -62.1 -36.5 179.9 51.8 110.3 30.0 147 -2.4 155 -3.1 0 0.0 0 0.0 14 73
152 152 ALA A H H X TS+ 0 0 -68.1 -38.2 176.2 52.8 109.1 25.3 148 -1.8 156 -2.6 0 0.0 0 0.0 17 74
153 153 THR T H H X TS+ 0 0 -65.8 -43.0 -179.6 40.1 113.3 28.0 149 -1.9 157 -2.0 0 0.0 0 0.0 13 80
154 154 VAL V H H X TS+ 0 0 -77.4 -35.7 176.7 51.3 116.4 24.3 150 -2.0 158 -2.7 0 0.0 0 0.0 12 78
155 155 ALA A H H X TS+ 0 0 -60.4 -43.6 -179.9 46.9 112.5 29.4 151 -3.1 159 -2.6 0 0.0 0 0.0 11 73
156 156 GLY G H H X TS+ 0 0 -64.3 -44.5 178.0 48.4 112.5 21.2 152 -2.6 160 -1.4 0 0.0 0 0.0 12 67
157 157 ALA A H H < TS+ 0 0 -62.1 -48.9 179.9 47.7 114.4 19.3 153 -2.0 0 0.0 0 0.0 0 0.0 9 62
158 158 ASP D H H < TS+ 0 0 -60.7 -46.4 -177.5 38.0 117.8 29.4 154 -2.7 0 0.0 0 0.0 0 0.0 7 60
159 159 LEU L H H < > TS+ 0 0 -88.7 -6.5 178.4 106.8 87.5 60.6 155 -2.6 162 -0.6 0 0.0 0 0.0 9 51
160 160 ARG R T h < 3 T + 0 0 -65.4 158.8 179.5 46.3 67.7 105.0 156 -1.4 0 0.0 0 0.0 0 0.0 13 41
161 161 GLY G T T 3 TS+ 0 0 81.2 16.9 -179.5 109.5 77.9 50.7 0 0.0 0 0.0 0 0.0 0 0.0 7 30
162 162 ASN N S t < TS- 0 0 -110.2 22.7 177.0 -76.4 104.1 90.2 159 -0.6 0 0.0 0 0.0 0 0.0 5 30
163 163 GLY G S S S+ 0 0 106.4 -15.5 -179.1 71.1 110.0 79.0 0 0.0 0 0.0 0 0.0 0 0.0 5 29
164 164 TYR Y S S S- 0 0 -135.3 142.3 176.8 -114.3 79.6 169.0 0 0.0 0 0.0 0 0.0 0 0.0 9 39
165 165 ASP D e - 0 0 -69.6 149.5 175.9 -153.8 24.8 116.5 0 0.0 140 -0.7 0 0.0 0 0.0 10 43
166 166 ILE I E E Ae - 140 0 -129.7 115.7 176.9 -162.5 4.7 167.5 190 -1.9 0 0.0 0 0.0 0 0.0 14 52
167 167 ASP D E E Ae - 141 0 -92.6 144.1 178.3 -155.6 9.1 139.5 140 -2.2 142 -2.5 0 0.0 0 0.0 12 56
168 168 VAL V E E Aef - 142 193 -122.0 130.6 176.1 -172.3 11.4 172.4 192 -2.7 194 -3.2 0 0.0 170 -0.5 14 67
169 169 PHE F E E Aef - 143 194 -117.8 111.1 179.2 -176.4 12.9 167.6 142 -2.4 144 -1.2 0 0.0 0 0.0 16 69
170 170 SER S E E Aef - 144 195 -115.8 142.1 -175.6 -160.3 10.5 151.4 194 -2.4 196 -3.0 168 -0.5 0 0.0 18 75
171 171 TYR Y E E Aef S- 145 196 -119.2 111.6 -178.7 -14.6 74.5 164.6 144 -1.9 146 -3.1 0 0.0 0 0.0 13 80
172 172 GLY G S e S+ 0 0 60.1 36.7 -179.5 172.9 88.2 33.9 196 -2.1 0 0.0 0 0.0 0 0.0 14 74
173 173 ALA A - 0 0 -83.5 141.7 176.1 -126.1 29.0 120.1 0 0.0 0 0.0 0 0.0 0 0.0 16 79
174 174 PRO P - 0 0 -71.5 159.2 174.7 -79.3 44.4 110.9 0 0.0 0 0.0 0 0.0 0 0.0 13 75
175 175 ARG R - 0 0 -59.1 142.3 -178.1 -162.1 44.6 110.0 206 -2.7 0 0.0 0 0.0 0 0.0 12 73
176 176 VAL V - 0 0 -105.2 -23.1 -177.2 -20.0 52.1 50.1 0 0.0 110 -2.8 0 0.0 0 0.0 13 73
177 177 GLY G B B BC S- 109 214 -165.4 -167.2 -179.9 -48.3 77.8 157.6 214 -0.6 214 -2.4 0 0.0 0 0.0 15 62
178 178 ASN N h > T - 0 0 -71.4 -178.0 177.8 -90.7 61.7 89.5 108 -2.0 182 -2.7 0 0.0 0 0.0 13 48
179 179 ARG R H H > TS+ 0 0 -64.9 -35.8 177.3 57.9 125.2 26.3 0 0.0 183 -2.6 0 0.0 0 0.0 11 42
180 180 ALA A H H > TS+ 0 0 -64.1 -41.8 178.3 45.4 109.6 24.0 0 0.0 184 -2.0 0 0.0 0 0.0 10 40
181 181 PHE F H H > TS+ 0 0 -67.6 -42.5 177.0 52.2 111.2 19.7 0 0.0 185 -3.4 0 0.0 0 0.0 14 51
182 182 ALA A H H X TS+ 0 0 -59.0 -43.1 175.7 47.0 112.0 24.9 178 -2.7 186 -1.2 0 0.0 0 0.0 14 54
183 183 GLU E H H X TS+ 0 0 -63.6 -41.5 178.7 50.7 111.1 28.7 179 -2.6 187 -1.1 0 0.0 0 0.0 10 42
184 184 PHE F H H X > TS+ 0 0 -61.6 -54.6 174.1 49.7 110.4 10.8 180 -2.0 187 -1.1 0 0.0 188 -0.9 9 45
185 185 LEU L H H < 3 TS+ 0 0 -56.2 -29.7 179.3 60.1 104.4 38.7 181 -3.4 0 0.0 0 0.0 0 0.0 12 59
186 186 THR T H H < 3 TS+ 0 0 -71.1 -26.1 179.0 65.1 92.6 35.4 182 -1.2 0 0.0 0 0.0 0 0.0 9 45
187 187 VAL V H H < < TS- 0 0 -69.6 -32.1 167.0 -153.4 91.4 26.6 183 -1.1 0 0.0 184 -1.1 0 0.0 6 36
188 188 GLN Q h < > T + 0 0 68.0 48.5 179.4 177.3 21.7 19.5 184 -0.9 191 -0.7 0 0.0 0 0.0 9 40
189 189 THR T T T 3 T + 0 0 -94.5 130.9 178.9 8.7 62.2 137.3 0 0.0 0 0.0 0 0.0 0 0.0 7 33
190 190 GLY G T T 3 TS- 0 0 80.5 22.5 179.6 -1.8 134.7 44.8 0 0.0 166 -1.9 0 0.0 0 0.0 9 32
191 191 GLY G S t < TS- 0 0 148.2 174.1 -179.3 -89.6 82.5 137.1 188 -0.7 0 0.0 0 0.0 0 0.0 10 38
192 192 THR T e - 0 0 -120.2 135.6 177.2 -147.2 22.7 158.9 0 0.0 168 -2.7 0 0.0 194 -0.6 9 46
193 193 LEU L E E Af - 168 0 -98.4 120.4 172.7 -165.3 8.9 158.8 0 0.0 195 -0.7 0 0.0 0 0.0 11 60
194 194 TYR Y E E Af - 169 0 -104.8 104.6 -176.7 -164.4 7.1 157.5 168 -3.2 170 -2.4 192 -0.6 196 -0.9 11 70
195 195 ARG R E E Afg - 170 219 -97.6 99.8 -176.9 -166.3 10.0 146.8 193 -0.7 220 -2.7 218 -0.5 0 0.0 12 76
196 196 ILE I E E Afg + 171 220 -93.3 137.8 179.7 178.7 8.9 133.4 170 -3.0 172 -2.1 194 -0.9 0 0.0 13 78
197 197 THR T E E A g - 0 221 -136.3 157.1 -177.6 -139.4 18.0 153.7 220 -2.8 222 -3.3 0 0.0 0 0.0 16 76
198 198 HIS H E E A g> T - 0 222 -124.9 130.3 -178.1 -76.8 44.9 166.6 0 0.0 201 -2.7 0 0.0 0 0.0 15 65
199 199 THR T T e 3 TS- 0 0 18.9 -107.2 -176.7 -12.4 110.7 86.5 222 -2.9 0 0.0 0 0.0 0 0.0 12 50
200 200 ASN N T T 3 TS+ 0 0 -111.1 36.3 178.0 161.8 83.3 97.6 0 0.0 254 -2.1 0 0.0 0 0.0 10 43
201 201 ASP D B B d < T - 254 0 -55.4 132.5 179.2 -148.2 32.4 109.9 198 -2.7 0 0.0 0 0.0 0 0.0 16 55
202 202 ILE I S g > TS+ 0 0 -76.8 -31.8 -175.6 71.6 83.5 31.6 254 -1.5 205 -2.2 0 0.0 0 0.0 11 47
203 203 VAL V G G > TS+ 0 0 -56.3 -47.7 174.8 54.1 93.0 29.3 0 0.0 206 -1.9 0 0.0 0 0.0 11 62
204 204 PRO P G G 3 TS+ 0 0 -63.4 -10.4 175.0 61.8 101.7 55.6 0 0.0 0 0.0 0 0.0 0 0.0 12 71
205 205 ARG R G G < TS+ 0 0 -93.8 2.7 175.2 125.1 94.5 62.0 202 -2.2 0 0.0 0 0.0 0 0.0 11 56
206 206 LEU L g < T + 0 0 -118.1 156.8 -7.7 33.1 44.1 144.4 203 -1.9 175 -2.7 0 0.0 0 0.0 9 56
207 207 PRO P S S S- 0 0 -70.0 169.1 -178.8 -99.7 101.8 48.6 0 0.0 0 0.0 0 0.0 0 0.0 9 47
208 208 PRO P g >>T - 0 0 -61.6 143.3 177.4 -130.6 16.4 103.7 0 0.0 211 -1.4 0 0.0 213 -0.8 8 37
209 209 ARG R G G >5TS+ 0 0 -60.1 -32.4 177.3 67.9 105.9 29.7 0 0.0 212 -2.2 0 0.0 0 0.0 8 37
210 210 GLU E G G 35TS+ 0 0 -63.5 -24.0 174.4 61.2 92.2 37.1 0 0.0 0 0.0 0 0.0 0 0.0 5 22
211 211 PHE F G G <5TS- 0 0 -85.0 9.4 175.4 -90.1 132.2 72.2 208 -1.4 0 0.0 0 0.0 0 0.0 7 29
212 212 GLY G T g <5TS+ 0 0 96.5 13.6 -175.0 140.3 80.9 56.9 209 -2.2 0 0.0 0 0.0 0 0.0 10 35
213 213 TYR Y t T - 0 0 -65.9 175.1 177.9 -74.3 41.5 83.9 0 0.0 228 -1.2 0 0.0 0 0.0 7 33
226 226 THR T T T 3 TS+ 0 0 -76.3 134.2 -177.8 10.1 119.4 123.2 0 0.0 0 0.0 0 0.0 0 0.0 7 35
227 227 LEU L T T 3 TS+ 0 0 70.7 16.1 175.7 115.4 102.6 64.4 0 0.0 0 0.0 0 0.0 0 0.0 7 29
228 228 VAL V S t < TS- 0 0 -112.9 138.4 -179.1 -108.0 73.0 149.9 225 -1.2 0 0.0 0 0.0 0 0.0 6 26
229 229 PRO P - 0 0 -62.3 143.8 179.9 -122.3 31.6 113.5 0 0.0 0 0.0 0 0.0 0 0.0 7 30
230 230 VAL V - 0 0 -93.5 142.3 175.5 -170.2 24.4 132.9 0 0.0 0 0.0 0 0.0 0 0.0 8 42
231 231 THR T g > T - 0 0 -117.2 164.6 179.7 -107.4 39.4 148.4 0 0.0 234 -1.3 0 0.0 0 0.0 7 33
232 232 ARG R G G > TS+ 0 0 -70.6 -12.4 174.3 63.3 119.0 45.6 0 0.0 2 -2.4 0 0.0 235 -0.7 10 32
233 233 ASN N G G 3 TS+ 0 0 -77.0 -31.1 178.0 64.1 93.6 36.8 0 0.0 0 0.0 0 0.0 0 0.0 7 27
234 234 ASP D G e < TS+ 0 0 -77.2 3.3 -178.2 83.7 86.6 69.0 231 -1.3 223 -2.6 0 0.0 0 0.0 10 37
235 235 ILE I E E AH < T - 222 0 -111.8 131.6 177.4 -171.7 57.6 166.1 232 -0.7 0 0.0 0 0.0 0 0.0 12 45
236 236 VAL V E E AH - 221 0 -124.6 138.8 176.5 -132.9 20.0 162.7 221 -2.3 221 -3.5 0 0.0 0 0.0 12 37
237 237 LYS K E E AH - 220 0 -85.4 124.5 179.6 -164.2 21.8 136.1 0 0.0 0 0.0 0 0.0 0 0.0 10 38
238 238 ILE I E E AH - 219 0 -117.2 126.1 179.6 -153.7 6.0 166.1 219 -3.0 219 -2.6 0 0.0 0 0.0 12 35
239 239 GLU E + 0 0 -103.3 144.8 175.4 59.5 44.6 142.6 0 0.0 0 0.0 0 0.0 0 0.0 8 34
240 240 GLY G S t > TS- 0 0 116.1 138.1 -179.9 -79.3 82.3 88.5 0 0.0 243 -1.3 0 0.0 0 0.0 8 32
241 241 ILE I T T 3 TS- 0 0 -60.5 131.2 -177.7 -1.8 119.4 116.1 0 0.0 0 0.0 0 0.0 0 0.0 11 41
242 242 ASP D T T 3 TS- 0 0 50.5 42.8 -178.0 -177.5 93.5 34.6 215 -1.5 0 0.0 0 0.0 0 0.0 9 48
243 243 ALA A t < T - 0 0 -70.6 149.5 179.1 -145.3 16.8 107.9 240 -1.3 0 0.0 0 0.0 0 0.0 10 34
244 244 THR T S S S+ 0 0 -105.5 166.5 -179.8 68.6 73.1 131.0 0 0.0 0 0.0 0 0.0 0 0.0 7 32
245 245 GLY G S S S+ 0 0 105.8 -15.5 174.3 55.7 94.0 67.3 248 -0.7 0 0.0 0 0.0 0 0.0 7 34
246 246 GLY G S S S- 0 0 -115.7 -120.9 179.7 -31.3 129.8 80.5 0 0.0 0 0.0 0 0.0 0 0.0 12 46
247 247 ASN N S S S+ 0 0 -72.4 -29.9 -179.0 82.0 122.9 38.4 0 0.0 249 -1.7 0 0.0 0 0.0 13 57
248 248 ASN N + 0 0 -81.9 77.9 179.8 121.5 64.7 122.5 0 0.0 245 -0.7 0 0.0 0 0.0 10 51
249 249 GLN Q S S S- 0 0 -132.8 155.6 -179.7 -112.0 71.5 159.7 247 -1.7 251 -0.8 0 0.0 0 0.0 7 31
250 250 PRO P S S S+ 0 0 -87.4 44.7 178.2 114.1 76.1 101.7 0 0.0 0 0.0 0 0.0 0 0.0 4 22
251 251 ASN N S S S- 0 0 -104.0 175.3 -179.6 -70.7 81.1 120.3 249 -0.8 0 0.0 0 0.0 0 0.0 5 21
252 252 ILE I - 0 0 -72.8 130.8 -179.7 -138.6 54.9 122.2 0 0.0 0 0.0 0 0.0 0 0.0 5 22
253 253 PRO P - 0 0 -83.5 174.0 -179.4 -146.9 12.7 107.0 0 0.0 0 0.0 0 0.0 0 0.0 7 35
254 254 ASP D B B d - 201 0 -147.4 143.5 177.5 -156.9 19.3 177.1 200 -2.1 202 -1.5 0 0.0 0 0.0 9 34
255 255 ILE I S g > > TS+ 0 0 -85.8 -46.8 177.0 54.4 97.7 25.8 0 0.0 258 -1.6 0 0.0 259 -0.6 8 43
256 256 PRO P G G 4 > TS+ 0 0 -57.8 -29.4 175.9 63.8 99.3 30.5 0 0.0 259 -1.0 0 0.0 0 0.0 8 36
257 257 ALA A G G 4 > TS+ 0 0 -63.7 -30.8 172.3 61.7 95.5 34.2 0 0.0 260 -0.9 0 0.0 0 0.0 13 47
258 258 HIS H G G 4 < TS+ 0 0 -65.6 -29.0 179.1 52.3 101.5 45.0 255 -1.6 0 0.0 0 0.0 0 0.0 13 62
259 259 LEU L G G < < TS+ 0 0 -97.6 16.9 -179.4 74.9 93.8 79.2 256 -1.0 265 -2.4 255 -0.6 0 0.0 11 59
260 260 TRP W B B E < T + 264 0 -132.7 88.2 179.3 147.0 46.3 150.7 257 -0.9 0 0.0 0 0.0 0 0.0 12 57
261 261 TYR Y S S S- 0 0 -121.6 89.3 -177.8 -39.1 93.7 151.0 263 -2.3 0 0.0 0 0.0 0 0.0 11 69
262 262 PHE F S S S- 0 0 81.7 -30.5 -180.0 -9.4 137.2 89.0 0 0.0 0 0.0 0 0.0 0 0.0 8 58
263 263 GLY G S S S- 0 0 -175.5 -178.7 -178.3 -34.8 115.3 156.6 0 0.0 261 -2.3 0 0.0 0 0.0 9 51
264 264 LEU L B B E - 260 0 -59.7 127.9 -179.8 -179.4 63.2 109.5 0 0.0 0 0.0 0 0.0 0 0.0 11 50
265 265 ILE I + 0 0 -137.1 137.6 -178.9 20.0 58.1 177.2 259 -2.4 0 0.0 0 0.0 0 0.0 14 65
266 266 GLY G S S S+ 0 0 89.2 -3.6 -178.8 86.4 101.9 65.7 0 0.0 0 0.0 0 0.0 0 0.0 10 60
267 267 THR T + 0 0 -108.8 -3.7 -179.5 116.5 51.1 66.5 0 0.0 0 0.0 0 0.0 0 0.0 8 45
268 268 CYS C 0 0 -67.6 139.3 176.6 999.9 999.9 120.6 0 0.0 0 0.0 0 0.0 0 0.0 13 44
269 269 LEU L 0 0 -107.0 999.9 999.9 999.9 999.9 148.2 0 0.0 0 0.0 0 0.0 0 0.0 6 33
1tib-.pdb
1TIB HYDROLASE(CARBOXYLIC ESTERASE) LIPASE (E.C.3.1.1.3) (TRIACYLGLYCEROL ACYLHYDROLAS (HUMICOLA LANUGINOSA)
author author
Kabs/Sand HHHHHHHHHHHHHHHHTTSGGGSS TTSB GGGS HHHHHTT EEEEEEEEETTTTEEEEEEEETTTTEEEEEE S THHHHT EEE Kabs/Sand
chirality --++++++++++++++++++-+++++--++--+--+-++++++++----+-----+--+--++-----+++-+---------+-++++++++++---++ chirality
bends SSSSSSSSSSSSSSSSSSSSSSSS SSS SSSS SSSSSS S SS SSS SSS S SSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTT TTTTTT TTTTTT TTTTTTTT T turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >>33<< >33< >>3<< >33< >>3 3-turns
bridge-2 A BBBBBB cccccc bridge-2
bridge-1 A AA*AAA**A A*AAAAA BBBBBB DDD bridge-1
sheets AAAAAAAAA AAAAAAAA AAAAAA BBB sheets
4-turns >>>>XXXXXXXXXX<<<< >>>4<<< >444< >>44<< > 4-turns
summary hHHHHHHHHHHHHHHHHhGgGGGgS tTTtB gGGGghHHHHHhTtEEEEEEEEETTTTEEEEEEEETTTeEEEEEEe SthHHHHht eEEEe summary
sequence EVSQDLFNQFNLFAQYSAAAYCGKNNDAPAGTNITCTGNACPEVEKADATFLYSFEDSGVGDVTGFLALDNTNKLIVLSFRGSRSIENWIGNLNFDLKEI sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand TTTSTT EEEHHHHHHHHHHHHHHHHHHHHHHHH TTSEEEEEEETHHHHHHHHHHHHHTTSSS EEEEEES B HHHHHHHHH TTS EEEEEETT Kabs/Sand
chirality ++--++----+++++++++++++++++++++++++++----++--++++++++++++++++-+--------+------++++++++-++------+---+ chirality
bends SSSSS SSSSSSSSSSSSSSSSSSSSSSSS SSS SSSSSSSSSSSSSSS SSSS SS S SSSSSSSSS SS SS bends
turns TTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTT TTT turns
5-turns 5-turns
3-turns 33<>33< >>3<< >33< >>3<< >33< >33<>33< >33 3-turns
bridge-2 B eeeeee ffff C gggg bridge-2
bridge-1 DDD cccccc eeeeee B ffff bridge-1
sheets BBB AAAAAAA AAAAAA AAAAAA sheets
4-turns 444< >>>>XXXXXXXXXXXXX<<<< >>>>XXXXXXX<<<< >>>>XXX<<<< 4-turns
summary TTTtTTeEEEHHHHHHHHHHHHHHHHHHHHHHHHhTTtEEEEEEEhHHHHHHHHHHHHHhTtSSeEEEEEEe BhHHHHHHHHHhTTteEEEEEEeT summary
sequence NDICSGCRGHDGFTSSWRSVADTLRQKVEDAVREHPDYRVVFTGHSLGGALATVAGADLRGNGYDIDVFSYGAPRVGNRAFAEFLTVQTGGTLYRITHTN sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand BSGGG S GGGT B S EEEE S TTS GGGEEEE STT SSSS SSS BSGGGGBSSSB S Kabs/Sand
chirality -+++++--++-++---+-----+--++----+++----+----++-++-+----++++++----+++ chirality
bends SSSS S SSSS S S SSS SSS SSS SSSS SSS SSSSS SSS S bends
turns TTTTTT TTTTTT TTTT TTTTT TTTT TTTTTT turns
5-turns >5555< 5-turns
3-turns <>>3<< >>3<< >33< >>3<< >33< >>><<< 3-turns
bridge-2 HHHH bridge-2
bridge-1 d C gggg HHHH d E E bridge-1
sheets AAAA AAAA sheets
4-turns >444< 4-turns
summary BgGGGgSgGGGgtB SeEEEEeStTTt gGGeEEEE tTTtSSSS SSS BgGGGGBSSSB S summary
sequence DIVPRLPPREFGYSHSSPEYWIKSGTLVPVTRNDIVKIEGIDATGGNNQPNIPDIPAHLWYFGLIGTCL sequence
210 220 230 240 250 260