Secondary structure calculation program - copyright by David Keith Smith, 1989
1nbaA.pdb
1NBA HYDROLASE(IN LINEAR AMIDES) N-CARBAMOYLSARCOSINE AMIDOHYDROLASE (E.C.3.5.1.59) (ARTHROBACTER SP.)
Sequence length - 253
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 7 THR T 0 0 999.9 126.3 178.2 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 16
2 A 8 PHE F h > > T - 0 0 -65.0 144.2 -178.2 -121.3 999.9 111.1 0 0.0 6 -2.0 0 0.0 5 -0.9 5 12
3 A 9 ASN N H H > 3 TS+ 0 0 -61.3 -29.0 175.1 61.5 110.5 37.6 0 0.0 7 -2.7 0 0.0 0 0.0 6 13
4 A 10 ASP D H H > 3 TS+ 0 0 -64.2 -34.1 178.3 47.7 106.5 27.1 0 0.0 8 -2.6 0 0.0 0 0.0 6 14
5 A 11 ILE I H H > < TS+ 0 0 -70.3 -49.0 177.9 47.5 113.4 18.6 2 -0.9 9 -2.9 0 0.0 0 0.0 8 17
6 A 12 GLU E H H X TS+ 0 0 -55.1 -46.5 -179.7 46.0 115.3 24.0 2 -2.0 10 -2.3 0 0.0 0 0.0 10 21
7 A 13 ALA A H H X TS+ 0 0 -63.9 -54.1 179.6 42.7 115.8 17.2 3 -2.7 11 -1.8 0 0.0 0 0.0 8 17
8 A 14 ARG R H H X TS+ 0 0 -64.5 -36.0 177.3 55.7 112.5 25.2 4 -2.6 12 -2.7 0 0.0 0 0.0 8 18
9 A 15 LEU L H H X TS+ 0 0 -61.6 -47.7 179.9 50.7 105.2 19.4 5 -2.9 13 -2.8 0 0.0 0 0.0 9 23
10 A 16 ALA A H H X TS+ 0 0 -57.0 -41.1 179.0 48.2 113.4 20.8 6 -2.3 14 -2.2 0 0.0 0 0.0 9 27
11 A 17 ALA A H H X TS+ 0 0 -65.3 -52.6 -178.5 42.0 113.6 19.5 7 -1.8 15 -2.0 0 0.0 0 0.0 8 20
12 A 18 VAL V H H X TS+ 0 0 -67.5 -33.5 179.5 53.4 114.4 25.0 8 -2.7 16 -2.8 0 0.0 0 0.0 8 22
13 A 19 LEU L H H X TS+ 0 0 -66.7 -37.8 176.8 52.4 106.4 23.0 9 -2.8 17 -2.8 0 0.0 0 0.0 9 27
14 A 20 GLU E H H X TS+ 0 0 -61.6 -40.4 177.2 49.7 109.4 21.2 10 -2.2 18 -2.4 0 0.0 0 0.0 8 26
15 A 21 GLU E H H X TS+ 0 0 -60.5 -48.4 178.4 47.0 113.0 15.8 11 -2.0 19 -2.3 0 0.0 0 0.0 8 20
16 A 22 ALA A H H X TS+ 0 0 -61.3 -37.8 179.5 50.6 111.0 31.1 12 -2.8 20 -2.7 0 0.0 0 0.0 8 25
17 A 23 PHE F H H X TS+ 0 0 -70.8 -38.9 175.5 50.5 110.1 26.9 13 -2.8 21 -2.5 0 0.0 0 0.0 9 32
18 A 24 GLU E H H X TS+ 0 0 -57.2 -54.3 178.8 42.4 115.4 15.8 14 -2.4 22 -1.8 0 0.0 0 0.0 8 25
19 A 25 ALA A H H X TS+ 0 0 -56.3 -56.0 177.8 47.6 116.0 14.5 15 -2.3 23 -2.1 0 0.0 0 0.0 8 22
20 A 26 GLY G H H X TS+ 0 0 -55.2 -43.8 -179.3 55.3 108.7 24.5 16 -2.7 24 -3.0 0 0.0 0 0.0 8 29
21 A 27 THR T H H X TS+ 0 0 -60.9 -38.2 179.2 50.8 106.7 27.8 17 -2.5 25 -2.7 0 0.0 0 0.0 9 31
22 A 28 SER S H H X TS+ 0 0 -65.7 -48.0 178.4 45.4 112.5 14.4 18 -1.8 26 -2.7 0 0.0 0 0.0 8 21
23 A 29 ILE I H H X TS+ 0 0 -58.4 -53.0 178.1 49.2 114.4 15.4 19 -2.1 27 -2.3 0 0.0 0 0.0 8 21
24 A 30 TYR Y H H X >TS+ 0 0 -51.5 -50.4 -179.8 46.1 113.1 21.1 20 -3.0 29 -2.6 0 0.0 28 -1.6 11 26
25 A 31 ASN N H H < 5TS+ 0 0 -61.9 -42.2 179.5 53.2 110.2 24.2 21 -2.7 0 0.0 0 0.0 0 0.0 9 24
26 A 32 GLU E H H < 5TS+ 0 0 -58.7 -40.2 -179.6 42.9 114.3 31.7 22 -2.7 0 0.0 0 0.0 0 0.0 7 19
27 A 33 ARG R H H < 5TS- 0 0 -83.3 -16.3 176.3 -104.1 122.1 53.1 23 -2.3 0 0.0 0 0.0 0 0.0 7 21
28 A 34 GLY G T h < 5TS+ 0 0 105.2 13.1 178.0 126.1 77.1 51.6 24 -1.6 0 0.0 0 0.0 0 0.0 9 25
29 A 35 PHE F t A > TS- 123 0 -113.1 164.0 -173.3 -90.8 78.0 133.5 45 -1.5 51 -2.8 0 0.0 50 -2.2 12 63
48 A 54 ASN N H H > 3 TS+ 0 0 -55.4 -30.6 177.2 63.0 119.4 40.0 122 -2.8 52 -2.2 0 0.0 0 0.0 12 50
49 A 55 ALA A H H 4 3 TS+ 0 0 -65.5 -21.7 179.0 28.1 118.7 43.9 120 -2.3 0 0.0 0 0.0 0 0.0 14 48
50 A 56 TRP W H H 4 < TS+ 0 0 -102.5 -46.1 -176.8 43.6 126.7 40.1 47 -2.2 59 -2.9 0 0.0 0 0.0 14 59
51 A 57 THR T H H < TS+ 0 0 -76.7 -24.5 -178.9 61.5 107.3 41.7 47 -2.8 0 0.0 0 0.0 0 0.0 12 50
52 A 58 GLN Q S h < TS- 0 0 -102.0 146.3 172.8 -116.8 85.5 137.8 48 -2.2 0 0.0 0 0.0 0 0.0 9 39
53 A 59 PRO P S S S+ 0 0 -69.9 164.9 175.1 52.9 86.7 109.4 0 0.0 0 0.0 0 0.0 0 0.0 9 27
54 A 60 GLY G S S S+ 0 0 88.8 5.9 176.4 102.5 80.3 58.3 0 0.0 0 0.0 0 0.0 0 0.0 5 21
55 A 61 HIS H S t > TS- 0 0 -111.6 155.6 174.8 -117.9 80.0 150.1 0 0.0 58 -1.8 0 0.0 0 0.0 9 34
56 A 62 PRO P T T 3 TS+ 0 0 -64.6 -9.4 179.9 49.9 117.2 47.1 0 0.0 0 0.0 0 0.0 0 0.0 7 33
57 A 63 PHE F T T 3 TS+ 0 0 -106.8 5.4 -175.5 139.1 80.8 69.1 0 0.0 0 0.0 0 0.0 0 0.0 6 46
58 A 64 SER S t < T - 0 0 -59.4 128.3 176.3 -158.0 37.2 104.9 55 -1.8 0 0.0 0 0.0 0 0.0 12 45
59 A 65 CYS C - 0 0 -105.1 128.3 166.9 -139.9 7.7 157.2 50 -2.9 0 0.0 0 0.0 0 0.0 14 44
60 A 66 PRO P S S S+ 0 0 -65.0 174.3 175.1 58.1 76.7 98.2 0 0.0 0 0.0 0 0.0 0 0.0 9 37
61 A 67 GLY G h > > T + 0 0 83.4 2.4 -179.0 134.3 56.3 62.7 0 0.0 64 -2.4 0 0.0 65 -1.7 7 38
62 A 68 MET M H H > 3 T + 0 0 -57.8 -21.6 179.2 71.5 62.8 38.4 0 0.0 66 -2.6 0 0.0 0 0.0 9 44
63 A 69 GLU E H H 4 3 TS+ 0 0 -64.0 -31.6 175.6 33.4 108.6 37.9 0 0.0 0 0.0 0 0.0 0 0.0 6 31
64 A 70 THR T H H > < TS+ 0 0 -92.0 -34.9 -177.0 51.6 119.3 39.0 61 -2.4 68 -0.9 0 0.0 0 0.0 9 34
65 A 71 ILE I H H X TS+ 0 0 -71.0 -50.7 -176.3 55.9 103.3 13.5 61 -1.7 69 -2.4 0 0.0 0 0.0 13 49
66 A 72 ILE I H H X TS+ 0 0 -55.3 -51.4 -178.9 47.4 105.2 29.2 62 -2.6 70 -2.6 0 0.0 0 0.0 11 45
67 A 73 PRO P H H > TS+ 0 0 -61.0 -33.8 176.7 48.2 115.2 29.5 0 0.0 71 -1.7 0 0.0 0 0.0 8 35
68 A 74 ASN N H H X TS+ 0 0 -71.5 -40.1 174.7 51.5 109.3 24.4 64 -0.9 72 -1.9 0 0.0 0 0.0 11 44
69 A 75 VAL V H H X TS+ 0 0 -58.7 -44.3 178.8 52.8 109.6 16.9 65 -2.4 73 -2.9 0 0.0 0 0.0 11 58
70 A 76 GLN Q H H X TS+ 0 0 -60.6 -38.1 176.6 55.0 103.7 28.0 66 -2.6 74 -2.9 0 0.0 0 0.0 9 50
71 A 77 ARG R H H X TS+ 0 0 -60.5 -41.4 177.7 46.1 111.2 22.9 67 -1.7 75 -1.9 0 0.0 0 0.0 10 43
72 A 78 ILE I H H X TS+ 0 0 -64.4 -49.1 -179.9 49.9 112.1 17.3 68 -1.9 76 -2.6 0 0.0 0 0.0 12 59
73 A 79 ASN N H H X TS+ 0 0 -56.9 -46.9 178.9 50.6 110.0 21.4 69 -2.9 77 -3.1 0 0.0 0 0.0 9 57
74 A 80 GLU E H H X TS+ 0 0 -58.8 -42.5 -179.8 45.1 113.7 26.4 70 -2.9 78 -1.7 0 0.0 0 0.0 8 41
75 A 81 ALA A H H X TS+ 0 0 -70.5 -36.0 179.7 45.2 117.0 28.9 71 -1.9 79 -0.6 0 0.0 0 0.0 11 39
76 A 82 ALA A H H < >>TS+ 0 0 -70.8 -51.5 179.7 50.9 110.5 18.6 72 -2.6 81 -2.0 0 0.0 79 -1.3 14 53
77 A 83 ARG R H H < >5TS+ 0 0 -56.7 -39.5 176.7 61.2 103.8 24.0 73 -3.1 80 -1.2 0 0.0 0 0.0 10 43
78 A 84 ALA A H H < 35TS+ 0 0 -56.8 -29.7 -178.5 39.4 111.3 37.0 74 -1.7 0 0.0 0 0.0 0 0.0 7 33
79 A 85 LYS K T h < <5TS- 0 0 -99.2 -6.4 -177.0 -112.7 113.4 61.2 76 -1.3 231 -3.0 75 -0.6 0 0.0 12 35
80 A 86 GLY G T T <5T + 0 0 78.4 23.4 179.8 165.6 57.4 42.5 77 -1.2 0 0.0 0 0.0 0 0.0 9 39
81 A 87 VAL V t T - 0 0 -107.1 111.1 -179.9 -159.7 51.2 151.0 0 0.0 97 -2.2 0 0.0 0 0.0 7 25
95 A 101 ALA A T T 3 TS+ 0 0 -57.7 -25.3 177.5 60.0 90.4 42.7 93 -0.8 0 0.0 0 0.0 0 0.0 8 26
96 A 102 SER S T T 3 TS+ 0 0 -78.7 -9.3 -177.0 98.2 88.0 55.1 0 0.0 0 0.0 0 0.0 0 0.0 5 18
97 A 103 SER S S t X TS- 0 0 -88.8 143.5 179.4 -140.3 70.8 128.3 94 -2.2 100 -1.5 0 0.0 0 0.0 7 16
98 A 104 GLY G T T 3 TS+ 0 0 -73.9 -12.5 176.1 44.4 105.9 57.2 0 0.0 0 0.0 0 0.0 0 0.0 4 14
99 A 105 THR T T T 3 TS+ 0 0 -118.7 22.5 175.8 129.8 79.6 85.0 0 0.0 0 0.0 0 0.0 0 0.0 5 16
100 A 106 ASN N t < T - 0 0 -69.1 144.2 -178.6 -152.6 48.5 122.3 97 -1.5 0 0.0 0 0.0 0 0.0 12 28
101 A 107 ASP D S S S+ 0 0 -106.7 19.1 -177.0 84.9 75.1 77.8 92 -1.4 0 0.0 0 0.0 0 0.0 9 35
102 A 108 MET M g > > T + 0 0 -91.7 -22.2 176.9 175.4 62.4 45.3 0 0.0 105 -1.3 0 0.0 106 -0.7 14 37
103 A 109 GLY G G G 4 > T - 0 0 53.6 -139.6 -178.7 -26.1 65.0 94.3 0 0.0 106 -0.6 0 0.0 0 0.0 7 31
104 A 110 LEU L G G 4 > TS+ 0 0 -86.1 -2.6 -178.8 83.0 120.7 52.5 0 0.0 107 -1.8 0 0.0 0 0.0 6 26
105 A 111 TRP W G G > X TS+ 0 0 -70.0 -25.0 172.7 67.6 81.3 31.1 102 -1.3 109 -2.7 0 0.0 108 -2.1 9 32
106 A 112 TYR Y G G < < TS+ 0 0 -59.9 -23.0 -179.6 63.2 91.0 43.1 102 -0.7 0 0.0 103 -0.6 0 0.0 11 31
107 A 113 SER S G G 4 < TS+ 0 0 -87.0 7.1 179.9 28.8 115.6 64.8 104 -1.8 0 0.0 0 0.0 0 0.0 6 20
108 A 114 LYS K T g 4 < TS+ 0 0 -128.1 -45.3 -177.2 22.7 125.5 49.3 105 -2.1 0 0.0 0 0.0 0 0.0 6 20
109 A 115 ILE I S t < TS- 0 0 -125.6 164.5 -175.3 -93.5 89.1 144.7 105 -2.7 111 -2.2 0 0.0 0 0.0 6 31
110 A 116 PRO P g > T + 0 0 -81.3 65.2 -179.9 159.0 52.9 105.4 0 0.0 113 -2.1 0 0.0 0 0.0 8 32
111 A 117 THR T G G > T + 0 0 -55.6 -28.1 178.4 75.6 62.2 40.4 109 -2.2 114 -1.9 0 0.0 0 0.0 11 43
112 A 118 GLU E G G 3 TS+ 0 0 -59.3 -16.0 -179.0 65.2 85.3 52.8 0 0.0 0 0.0 0 0.0 0 0.0 10 36
113 A 119 THR T G G < TS+ 0 0 -89.4 4.1 -176.1 78.6 85.3 65.9 110 -2.1 0 0.0 0 0.0 0 0.0 6 40
114 A 120 LEU L g < T - 0 0 -115.4 73.0 -179.0 -177.5 62.2 125.4 111 -1.9 90 -2.8 0 0.0 0 0.0 11 48
115 A 121 PRO P B B b > T - 90 0 -69.6 136.9 173.4 -116.6 29.8 114.7 0 0.0 118 -1.1 0 0.0 0 0.0 12 38
116 A 122 ALA A T T 3 TS+ 0 0 -66.2 152.6 -179.6 18.8 97.6 112.3 90 -2.1 0 0.0 0 0.0 0 0.0 8 34
117 A 123 ASP D T T 3 TS+ 0 0 63.9 -1.2 172.8 121.0 95.8 65.2 0 0.0 0 0.0 0 0.0 0 0.0 7 28
118 A 124 SER S S g > X TS- 0 0 -78.8 173.5 174.5 -98.3 82.0 115.2 115 -1.1 121 -1.2 0 0.0 122 -0.5 7 27
119 A 125 TYR Y G G 4 > TS+ 0 0 -48.2 -53.3 -178.7 58.2 124.8 19.4 0 0.0 122 -2.4 0 0.0 0 0.0 7 32
120 A 126 TRP W G G 4 3 TS+ 0 0 -54.5 -24.8 -179.7 56.3 100.9 43.3 0 0.0 49 -2.3 0 0.0 0 0.0 12 38
121 A 127 ALA A G G 4 < TS+ 0 0 -85.1 -14.6 -175.9 99.2 87.1 54.3 118 -1.2 0 0.0 0 0.0 0 0.0 15 48
122 A 128 GLN Q S g < < TS- 0 0 -79.3 152.5 179.3 -106.1 81.4 113.7 119 -2.4 48 -2.8 118 -0.5 0 0.0 10 43
123 A 129 ILE I B B A - 47 0 -72.8 144.6 -177.5 -88.0 51.2 121.4 0 0.0 0 0.0 0 0.0 0 0.0 13 51
124 A 130 ASP D g > T - 0 0 -60.4 136.4 -175.8 -132.6 30.5 106.4 46 -2.4 127 -1.8 0 0.0 0 0.0 10 46
125 A 131 ASP D G G > TS+ 0 0 -62.9 -30.5 176.0 67.5 102.2 36.5 0 0.0 128 -1.5 0 0.0 0 0.0 5 31
126 A 132 ARG R G G 3 TS+ 0 0 -61.2 -22.5 -178.7 28.3 115.6 43.0 0 0.0 0 0.0 0 0.0 0 0.0 5 32
127 A 133 ILE I G G < TS+ 0 0 -132.0 36.1 179.7 174.7 87.5 98.7 124 -1.8 0 0.0 0 0.0 0 0.0 9 48
128 A 134 ALA A g < T - 0 0 -45.9 132.6 177.5 -98.3 40.2 98.6 125 -1.5 0 0.0 0 0.0 0 0.0 7 39
129 A 135 PRO P - 0 0 -54.5 143.1 178.9 -134.0 35.6 102.0 0 0.0 0 0.0 0 0.0 0 0.0 9 41
130 A 136 ALA A t > T - 0 0 -93.8 167.8 -177.9 -72.3 41.8 122.5 0 0.0 133 -2.1 0 0.0 0 0.0 5 34
131 A 137 ASP D T T 3 TS+ 0 0 -69.2 126.7 180.0 22.2 122.9 114.8 0 0.0 0 0.0 0 0.0 0 0.0 4 20
132 A 138 GLY G T T 3 TS+ 0 0 101.6 -7.9 179.5 121.3 91.4 74.6 0 0.0 0 0.0 0 0.0 0 0.0 4 24
133 A 139 GLU E t < T - 0 0 -84.2 151.9 -173.5 -123.1 61.6 127.6 130 -2.1 0 0.0 0 0.0 0 0.0 10 37
134 A 140 VAL V E E Ac - 84 0 -103.1 133.1 174.0 -161.9 16.6 142.2 83 -1.9 85 -2.8 0 0.0 0 0.0 8 41
135 A 141 VAL V E E Ac - 85 0 -105.5 130.9 -178.0 -162.4 15.5 160.1 0 0.0 0 0.0 0 0.0 0 0.0 9 44
136 A 142 ILE I E E Ac - 86 0 -115.6 131.8 173.5 -147.5 11.5 161.3 85 -2.9 87 -1.9 0 0.0 0 0.0 10 49
137 A 143 GLU E E E Ac - 87 0 -92.2 133.3 -175.9 -175.2 28.1 151.0 0 0.0 0 0.0 0 0.0 0 0.0 9 49
138 A 144 LYS K E E Ac - 88 0 -129.9 162.0 -176.6 -159.6 27.2 151.8 87 -2.5 89 -1.0 0 0.0 0 0.0 13 51
139 A 145 ASN N S S S+ 0 0 -121.1 -8.6 -178.8 48.4 72.4 61.2 145 -0.6 0 0.0 0 0.0 0 0.0 11 51
140 A 146 ARG R S S S- 0 0 -127.9 169.3 -179.0 -95.2 92.2 149.2 0 0.0 0 0.0 0 0.0 0 0.0 10 51
141 A 147 ALA A S S S+ 0 0 -51.7 -57.8 178.6 63.9 102.9 22.6 0 0.0 0 0.0 0 0.0 0 0.0 11 55
142 A 148 SER S S S S- 0 0 -68.8 149.8 174.3 -129.0 84.1 113.9 0 0.0 0 0.0 0 0.0 0 0.0 12 50
143 A 149 ALA A S S S+ 0 0 -68.3 -15.6 -176.9 62.0 100.9 49.7 0 0.0 0 0.0 0 0.0 0 0.0 12 57
144 A 150 PHE F S t > TS+ 0 0 -86.3 -46.3 -177.1 90.1 73.7 20.2 0 0.0 147 -1.9 0 0.0 0 0.0 10 47
145 A 151 PRO P T T 3 TS- 0 0 -58.8 124.0 179.9 -3.9 108.7 106.6 0 0.0 139 -0.6 0 0.0 0 0.0 8 39
146 A 152 GLY G T T 3 TS+ 0 0 74.0 12.0 -179.8 97.8 114.3 53.3 0 0.0 0 0.0 0 0.0 0 0.0 7 32
147 A 153 THR T S t < TS- 0 0 -123.2 175.1 175.2 -119.8 77.6 137.7 144 -1.9 0 0.0 0 0.0 0 0.0 10 34
148 A 154 ASN N S h > > TS+ 0 0 -94.2 14.4 -178.1 110.8 77.8 75.5 0 0.0 152 -1.7 0 0.0 151 -0.6 7 31
149 A 155 LEU L H H > 3 TS+ 0 0 -54.8 -50.6 -178.6 50.5 77.2 19.1 0 0.0 153 -2.5 0 0.0 0 0.0 9 51
150 A 156 GLU E H H > 3 TS+ 0 0 -61.3 -27.1 178.4 59.0 104.9 35.1 0 0.0 154 -2.7 0 0.0 0 0.0 8 45
151 A 157 LEU L H H > < TS+ 0 0 -68.5 -40.2 178.8 42.6 109.9 19.8 148 -0.6 155 -2.0 0 0.0 0 0.0 7 27
152 A 158 PHE F H H X TS+ 0 0 -64.7 -50.5 -175.1 47.7 116.6 14.4 148 -1.7 156 -2.1 0 0.0 0 0.0 8 38
153 A 159 LEU L H H < >TS+ 0 0 -63.2 -47.9 177.5 37.6 118.4 23.2 149 -2.5 158 -2.1 0 0.0 0 0.0 10 50
154 A 160 THR T H H < >5TS+ 0 0 -71.1 -49.1 -178.3 48.9 117.3 15.2 150 -2.7 157 -1.6 0 0.0 0 0.0 8 31
155 A 161 SER S H H < 35TS+ 0 0 -63.4 -26.1 178.8 43.5 116.7 37.9 151 -2.0 0 0.0 0 0.0 0 0.0 6 21
156 A 162 ASN N T h < 35TS- 0 0 -105.4 16.7 171.9 -120.4 109.7 78.3 152 -2.1 0 0.0 0 0.0 0 0.0 6 33
157 A 163 ARG R T T <5T + 0 0 54.6 48.1 -179.2 173.7 44.7 33.6 154 -1.6 0 0.0 0 0.0 0 0.0 9 34
158 A 164 ILE I t >T - 0 0 -106.5 163.0 175.2 -166.5 41.2 36.8 194 -0.6 172 -2.7 0 0.0 170 -1.0 13 60
168 A 174 ALA A T T 3>TS+ 0 0 -61.5 -45.4 -179.3 45.1 98.1 23.4 194 -1.4 173 -0.7 0 0.0 0 0.0 15 56
169 A 175 ALA A T T 35TS+ 0 0 -87.9 20.4 -179.5 20.7 128.4 77.0 0 0.0 0 0.0 0 0.0 0 0.0 10 46
170 A 176 GLY G T h > <5TS+ 0 0 -143.9 -112.4 -177.4 9.7 125.0 95.4 167 -1.0 174 -2.0 0 0.0 0 0.0 9 54
171 A 177 CYS C H H > 5TS+ 0 0 -56.5 -31.2 -177.1 53.8 121.0 43.4 0 0.0 175 -1.7 0 0.0 0 0.0 13 61
172 A 178 VAL V H H > TS+ 0 0 -57.7 -45.1 -178.9 44.4 110.6 24.7 175 -2.7 184 -2.8 0 0.0 183 -2.0 12 54
180 A 186 ILE I H H < 5TS+ 0 0 -68.7 -36.6 176.9 50.9 114.6 22.9 176 -2.3 0 0.0 0 0.0 0 0.0 12 50
181 A 187 ALA A H H < 5TS+ 0 0 -61.5 -44.4 -178.2 45.7 113.0 19.3 177 -1.9 0 0.0 0 0.0 0 0.0 7 31
182 A 188 LYS K H H < 5TS- 0 0 -74.2 -27.8 175.8 -93.9 128.3 38.2 178 -3.0 0 0.0 0 0.0 0 0.0 6 34
183 A 189 GLY G T h < 5TS+ 0 0 125.4 29.6 -178.0 119.3 82.1 47.3 179 -2.0 0 0.0 0 0.0 0 0.0 7 44
184 A 190 PHE F t T - 0 216 -75.1 104.3 -173.6 -146.0 19.1 134.8 0 0.0 192 -2.5 0 0.0 0 0.0 14 62
190 A 196 ARG R G e > TS+ 0 0 -43.7 -36.8 -177.3 55.8 89.9 45.0 216 -2.9 193 -1.0 188 -1.1 0 0.0 10 54
191 A 197 GLU E G T 3 TS+ 0 0 -77.8 -16.8 -177.5 61.0 98.9 46.6 0 0.0 0 0.0 0 0.0 0 0.0 9 49
192 A 198 THR T G e < TS+ 0 0 -95.3 19.6 -174.8 99.4 83.6 76.2 189 -2.5 165 -2.7 0 0.0 194 -0.5 13 62
193 A 199 ILE I E E Ae < T + 165 0 -110.9 124.9 179.9 178.2 50.1 153.8 190 -1.0 0 0.0 0 0.0 0 0.0 13 67
194 A 200 GLY G E E Ae + 166 0 -121.7 172.8 176.7 160.7 10.5 134.6 165 -2.1 168 -1.4 192 -0.5 167 -0.6 14 54
195 A 201 ASP D - 0 0 -164.7 -161.7 -172.0 -122.0 33.9 152.7 0 0.0 0 0.0 0 0.0 0 0.0 12 48
196 A 202 ARG R S S S+ 0 0 -144.5 2.4 179.7 53.8 77.8 67.1 0 0.0 0 0.0 0 0.0 0 0.0 8 42
197 A 203 VAL V S S S- 0 0 -137.6 160.1 -177.7 -77.2 89.9 156.7 0 0.0 0 0.0 0 0.0 0 0.0 5 30
198 A 204 PRO P S S S+ 0 0 -64.3 144.2 170.9 2.9 100.9 104.4 0 0.0 200 -0.9 0 0.0 0 0.0 7 32
199 A 205 GLY G S h > TS+ 0 0 85.8 -35.8 -174.6 105.9 93.6 95.1 0 0.0 203 -2.3 0 0.0 0 0.0 8 38
200 A 206 VAL V H H > TS+ 0 0 -52.9 -34.6 -177.4 50.7 76.4 38.9 198 -0.9 204 -2.1 0 0.0 0 0.0 10 41
201 A 207 VAL V H H > TS+ 0 0 -73.5 -39.5 -179.1 46.6 114.0 18.0 0 0.0 205 -2.6 0 0.0 0 0.0 12 46
202 A 208 GLN Q H H > TS+ 0 0 -64.2 -58.3 -175.4 38.6 117.8 11.0 0 0.0 206 -2.2 0 0.0 0 0.0 7 48
203 A 209 TRP W H H X TS+ 0 0 -69.7 -30.8 175.3 49.5 117.7 29.4 199 -2.3 207 -2.6 0 0.0 0 0.0 9 43
204 A 210 ASN N H H X TS+ 0 0 -73.0 -39.4 176.2 47.2 111.9 20.6 200 -2.1 208 -2.6 0 0.0 0 0.0 11 52
205 A 211 LEU L H H X TS+ 0 0 -67.4 -30.1 173.4 52.9 112.4 29.8 201 -2.6 209 -2.3 0 0.0 0 0.0 11 54
206 A 212 TYR Y H H X TS+ 0 0 -62.2 -54.7 179.5 44.5 111.3 12.9 202 -2.2 210 -1.8 0 0.0 0 0.0 9 50
207 A 213 ASP D H H X TS+ 0 0 -58.5 -40.8 177.2 51.6 113.1 21.7 203 -2.6 211 -1.7 0 0.0 0 0.0 9 47
208 A 214 ILE I H H X >TS+ 0 0 -61.2 -48.6 -177.0 49.2 109.7 15.3 204 -2.6 212 -2.7 0 0.0 213 -2.2 14 52
209 A 215 ASP D H H < 5TS+ 0 0 -62.6 -30.7 -179.8 54.1 109.4 35.9 205 -2.3 0 0.0 0 0.0 0 0.0 11 51
210 A 216 ASN N H H < 5TS- 0 0 -72.4 -36.4 -176.3 -3.7 132.9 30.5 206 -1.8 30 -1.9 0 0.0 0 0.0 11 41
211 A 217 LYS K H H < 5TS+ 0 0 -133.0 -15.4 -170.9 38.9 129.9 53.3 207 -1.7 0 0.0 0 0.0 0 0.0 9 41
212 A 218 PHE F T h < 5TS- 0 0 -121.4 -24.5 178.0 -20.7 108.0 45.4 208 -2.7 0 0.0 0 0.0 0 0.0 11 49
213 A 219 GLY G t T - 0 0 -89.9 159.7 178.1 -119.7 32.2 132.3 0 0.0 221 -2.1 0 0.0 0 0.0 9 37
218 A 224 THR T H H > TS+ 0 0 -65.4 -35.4 175.3 61.6 117.7 23.3 0 0.0 222 -3.1 0 0.0 0 0.0 13 43
219 A 225 ASP D H H > TS+ 0 0 -53.7 -51.9 176.5 46.1 103.7 19.9 0 0.0 223 -2.7 0 0.0 0 0.0 6 34
220 A 226 SER S H H > TS+ 0 0 -58.7 -40.6 -177.6 49.5 113.5 21.4 0 0.0 224 -2.4 0 0.0 0 0.0 8 34
221 A 227 VAL V H H X TS+ 0 0 -66.2 -42.6 -179.5 48.0 111.6 21.1 217 -2.1 225 -2.6 0 0.0 0 0.0 11 54
222 A 228 VAL V H H X TS+ 0 0 -64.3 -45.5 178.7 51.3 110.7 18.7 218 -3.1 226 -3.3 0 0.0 0 0.0 11 43
223 A 229 GLN Q H H X TS+ 0 0 -59.1 -41.2 176.4 49.1 111.1 22.2 219 -2.7 227 -1.5 0 0.0 0 0.0 8 33
224 A 230 TYR Y H H X TS+ 0 0 -59.5 -52.0 -178.4 45.1 113.6 16.7 220 -2.4 228 -0.6 0 0.0 0 0.0 8 46
225 A 231 LEU L H H < > TS+ 0 0 -60.9 -41.1 179.6 54.6 110.7 20.2 221 -2.6 228 -1.5 0 0.0 0 0.0 11 51
226 A 232 ASP D H H < 3 TS+ 0 0 -65.4 -27.2 178.5 50.7 107.6 35.9 222 -3.3 0 0.0 0 0.0 0 0.0 9 34
227 A 233 ALA A H H < 3 TS+ 0 0 -87.9 -2.2 -178.6 109.2 88.8 59.9 223 -1.5 0 0.0 0 0.0 0 0.0 6 28
228 A 234 LEU L S h < < TS- 0 0 -68.9 150.2 158.7 -120.4 70.6 109.0 225 -1.5 0 0.0 224 -0.6 0 0.0 10 39
229 A 235 PRO P - 0 0 -64.7 170.2 178.0 -69.3 59.8 109.5 0 0.0 0 0.0 0 0.0 0 0.0 8 28
230 A 236 GLN Q g > > T - 0 0 -63.3 142.2 -175.0 -111.9 53.1 116.5 0 0.0 233 -2.5 0 0.0 234 -0.5 9 26
231 A 237 PHE F G G 4 > TS+ 0 0 -48.3 -37.7 178.1 67.8 114.4 33.4 79 -3.0 234 -1.8 0 0.0 0 0.0 10 37
232 A 238 GLU E G G 4 3 TS+ 0 0 -50.3 -32.6 -176.1 43.7 105.2 35.8 0 0.0 0 0.0 0 0.0 0 0.0 6 24
233 A 239 ASP D G G 4 < TS+ 0 0 -96.4 -6.2 -176.7 107.7 88.7 58.0 230 -2.5 0 0.0 0 0.0 0 0.0 6 25
234 A 240 THR T g < < T - 0 0 -78.7 144.4 174.1 -168.4 45.9 114.6 231 -1.8 0 0.0 230 -0.5 0 0.0 10 31
235 A 241 VAL V - 0 0 -125.0 144.9 -176.6 -108.5 27.2 166.7 0 0.0 0 0.0 0 0.0 0 0.0 7 29
236 A 242 PRO P - 0 0 -73.2 159.8 175.9 -103.9 27.4 108.6 0 0.0 238 -0.5 0 0.0 0 0.0 10 34
237 A 243 LYS K - 0 0 -80.4 123.6 -173.7 -149.2 32.5 132.4 0 0.0 0 0.0 0 0.0 0 0.0 9 31
238 A 244 THR T + 0 0 -77.6 -14.9 178.2 11.8 67.8 49.1 236 -0.5 0 0.0 0 0.0 0 0.0 4 24
239 A 245 LEU L S S S- 0 0 -147.0 178.8 177.0 -64.9 95.1 152.2 0 0.0 0 0.0 0 0.0 0 0.0 4 24
240 A 246 SER S - 0 0 -63.2 158.7 173.2 -100.2 54.0 99.9 0 0.0 0 0.0 0 0.0 0 0.0 6 29
241 A 247 ASP D - 0 0 -76.2 137.4 176.3 -94.6 53.0 131.0 0 0.0 0 0.0 0 0.0 0 0.0 6 26
242 A 248 PRO P - 0 0 -53.4 140.5 -176.7 -157.1 47.5 102.0 0 0.0 0 0.0 0 0.0 0 0.0 4 18
243 A 249 GLN Q - 0 0 -124.2 153.0 166.9 -99.8 27.9 149.8 0 0.0 245 -0.9 0 0.0 0 0.0 5 17
244 A 250 PRO P - 0 0 -62.5 104.1 -176.2 -135.6 54.8 130.1 0 0.0 0 0.0 0 0.0 0 0.0 4 19
245 A 251 GLU E - 0 0 -81.9 132.2 175.6 -151.1 14.0 122.4 243 -0.9 0 0.0 0 0.0 0 0.0 5 19
246 A 252 VAL V - 0 0 -86.8 144.6 -178.8 -118.6 29.7 135.5 0 0.0 0 0.0 0 0.0 0 0.0 6 17
247 A 253 GLU E - 0 0 -92.3 137.8 175.6 -108.8 25.9 134.7 0 0.0 0 0.0 0 0.0 0 0.0 4 12
248 A 254 ALA A - 0 0 -59.1 127.5 171.1 -112.0 37.2 118.1 0 0.0 0 0.0 0 0.0 0 0.0 4 11
249 A 255 PRO P - 0 0 -57.7 132.7 178.3 -115.1 34.7 116.5 0 0.0 0 0.0 0 0.0 0 0.0 4 10
250 A 256 ALA A - 0 0 -71.1 150.2 -179.7 -97.4 35.3 114.9 0 0.0 0 0.0 0 0.0 0 0.0 4 7
251 A 257 ASP D - 0 0 -68.8 130.1 -178.9 -131.9 28.5 123.6 0 0.0 0 0.0 0 0.0 0 0.0 4 6
252 A 258 PRO P 0 0 -59.7 -16.8 179.5 999.9 999.9 51.0 0 0.0 0 0.0 0 0.0 0 0.0 3 5
253 A 259 VAL V 0 0 -158.7 999.9 999.9 999.9 999.9 162.5 0 0.0 0 0.0 0 0.0 0 0.0 2 4
1nbaA.pdb
1NBA HYDROLASE(IN LINEAR AMIDES) N-CARBAMOYLSARCOSINE AMIDOHYDROLASE (E.C.3.5.1.59) (ARTHROBACTER SP.)
author author
Kabs/Sand HHHHHHHHHHHHHHHHHHHHHHHHHT S SSEEEEEES BHHHHSSSSTT S HHHHHHHHHHHHHHHHHTT EEEEEE BS TTSTT Kabs/Sand
chirality -++++++++++++++++++++++++-+++------++------++-++++-++-++--+++++++++++++++++++-+-------+--+++-++-++- chirality
bends SSSSSSSSSSSSSSSSSSSSSSSSSS S SS S SSSSSSSSSSS S SSSSSSSSSSSSSSSSS S SSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTT TTTT TTTTTTTTTTTTTTTTTTTTT TTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >33< >33< >>3<< >33X33< 3-turns
bridge-2 bbb ccccc bridge-2
bridge-1 aaaaaa A bbb b bridge-1
sheets AAAAAA AAAAAA sheets
4-turns >>>>XXXXXXXXXXXXXXXXXXX<<<< >>44<< >>4>XX>XXXXXXXX<<<< 4-turns
summary hHHHHHHHHHHHHHHHHHHHHHHHHHhtS SeEEEEEES hHHHHhSStTTt ShHHHHHHHHHHHHHHHHHhTteEEEEEEeBS tTTtTTt summary
sequence TFNDIEARLAAVLEEAFEAGTSIYNERGFKRRIGYGNRPAVIHIDLANAWTQPGHPFSCPGMETIIPNVQRINEAARAKGVPVFYTTNVYRNRDASSGTN sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand S GGGGGTS GGG BTTSGGGSB GGG TT EEEEESSSSSSTTSSHHHHHHHTT EEEEEEE TTTHHHHHHHHHHHHT EEEEEGGGEE SSSSH Kabs/Sand
chirality ++-+++++-++++--++-+++---+++---++------+-+-++-+-++++++++-+-+---++++-++++++++++++++-+------+++++-+-+++ chirality
bends S SSSSSS SS SSSSSSS SSS SS SSSSSSSSSSSSSSSSSS S SSSSSSSSSSSSSSSS SSS SSSSS bends
turns TTTTTTTTTTTTTTTTTTTTT TTTTT TTTT TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT TTTTT TT turns
5-turns >5555< >>555<< >5555< 5-turns
3-turns >>>X<<< >>3<<>33X>3<< >>3<< >33< >33<>33< >33< >33< >>3<< 3-turns
bridge-2 ddd ee fff bridge-2
bridge-1 b A ccccc aaaaaa ddd ee bridge-1
sheets AAAAA AAAAAAA AAAAA AA sheets
4-turns >44><44< >444< >>>>X<<<< >>>>XXXXXX<<<< >> 4-turns
summary SgGGGGGgtgGGGgBTTgGGGgBgGGGg tTTtEEEEESSSSStTTthHHHHHHHhTteEEEEEEEeTThHHHHHHHHHHHHhtEEEEEeTeEE SSShH summary
sequence DMGLWYSKIPTETLPADSYWAQIDDRIAPADGEVVIEKNRASAFPGTNLELFLTSNRIDTLIVTGATAAGCVRHTVEDAIAKGFRPIIPRETIGDRVPGV sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHHHT EEE HHHHHHHHHHS GGG S Kabs/Sand
chirality +++++++++-+---+--++++++++++---+++----+------------- chirality
bends SSSSSSSSSSSS SSSSSSSSSSS SSS S bends
turns TTTTTTTTTTTTT TTTTTTTTTTTT TTTTT turns
5-turns >5555< 5-turns
3-turns >33< >>3<< 3-turns
bridge-2 bridge-2
bridge-1 fff bridge-1
sheets AAA sheets
4-turns >>XXXXXX<<<< >>>>XXXX<<<< >444< 4-turns
summary HHHHHHHHHHHhtEEEhHHHHHHHHHHh gGGGg S summary
sequence VQWNLYDIDNKFGDVESTDSVVQYLDALPQFEDTVPKTLSDPQPEVEAPADPV sequence
210 220 230 240 250