Secondary structure calculation program - copyright by David Keith Smith, 1989
3daaA.pdb
3DAA AMINOTRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 277
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 GLY G e 0 0 999.9 -164.1 -179.3 999.9 999.9 999.9 0 0.0 12 -2.6 0 0.0 0 0.0 6 29
2 A 2 TYR Y E E AA - 11 0 -119.8 140.9 -179.7 -163.2 999.9 158.0 0 0.0 0 0.0 0 0.0 0 0.0 11 37
3 A 3 THR T E E AA - 10 0 -120.6 142.8 176.5 -124.0 23.9 155.0 10 -3.0 10 -2.6 0 0.0 5 -0.7 14 41
4 A 4 LEU L E E AAB - 9 113 -85.0 115.3 -179.5 -176.5 32.1 143.4 113 -3.5 113 -1.8 0 0.0 6 -0.6 15 48
5 A 5 TRP W E E AAB> T - 8 112 -119.3 106.0 -178.0 -51.0 61.5 160.2 8 -2.8 8 -2.1 3 -0.7 7 -0.6 12 45
6 A 6 ASN N T e 3 TS- 0 0 65.6 -111.6 178.3 -23.9 123.3 123.6 111 -2.6 0 0.0 4 -0.6 0 0.0 7 48
7 A 7 ASP D T T 3 TS+ 0 0 -114.6 16.0 -179.3 89.3 123.3 76.9 5 -0.6 0 0.0 0 0.0 0 0.0 7 37
8 A 8 GLN Q E E AA < T - 5 0 -113.7 155.1 177.2 -136.4 68.3 140.3 5 -2.1 5 -2.8 0 0.0 10 -0.6 6 36
9 A 9 ILE I E E AA + 4 0 -109.8 109.5 -177.5 167.8 40.8 161.9 0 0.0 0 0.0 0 0.0 0 0.0 10 37
10 A 10 VAL V E E AA - 3 0 -124.1 162.5 178.9 -87.5 41.0 146.0 3 -2.6 3 -3.0 8 -0.6 0 0.0 10 29
11 A 11 LYS K E E >AA > T - 2 0 -66.9 143.8 -179.2 -114.6 43.1 112.6 0 0.0 14 -2.1 0 0.0 15 -0.5 9 26
12 A 12 ASP D G e 4 > TS+ 0 0 -44.5 -46.8 -178.3 59.5 112.7 30.6 1 -2.6 15 -1.3 0 0.0 0 0.0 8 26
13 A 13 GLU E G G 4 3 TS+ 0 0 -63.1 -13.7 -179.4 64.0 95.2 57.5 0 0.0 0 0.0 0 0.0 0 0.0 4 17
14 A 14 GLU E G G 4 < TS+ 0 0 -84.7 -22.0 -177.1 100.1 79.1 44.8 11 -2.1 0 0.0 0 0.0 0 0.0 6 19
15 A 15 VAL V g < < T + 0 0 -76.3 124.6 176.5 163.1 41.3 120.8 12 -1.3 0 0.0 11 -0.5 0 0.0 9 26
16 A 16 LYS K - 0 0 -139.8 140.6 -177.4 -137.5 26.8 174.7 0 0.0 0 0.0 0 0.0 0 0.0 4 27
17 A 17 ILE I - 0 0 -101.8 138.1 179.2 -120.0 20.3 144.6 0 0.0 0 0.0 0 0.0 0 0.0 5 34
18 A 18 ASP D t > T - 0 0 -77.1 139.1 -179.6 -130.4 16.2 124.5 0 0.0 21 -2.3 0 0.0 0 0.0 6 30
19 A 19 LYS K T T 3 TS+ 0 0 -58.9 -22.2 179.5 53.1 110.6 45.3 0 0.0 0 0.0 0 0.0 0 0.0 6 22
20 A 20 GLU E T T 3 TS+ 0 0 -101.7 18.7 175.7 128.3 73.3 84.4 0 0.0 96 -1.6 0 0.0 0 0.0 10 29
21 A 21 ASP D B h > A X T - 95 0 -70.6 128.4 -179.1 -133.2 64.7 129.5 18 -2.3 24 -1.6 0 0.0 25 -1.3 14 40
22 A 22 ARG R H H > 3 TS+ 0 0 -61.6 -17.3 178.0 63.6 105.3 46.5 94 -2.4 26 -2.0 0 0.0 28 -1.9 15 43
23 A 23 GLY G H H 4 3 TS+ 0 0 -76.8 -21.1 -179.8 44.9 106.1 43.0 0 0.0 0 0.0 0 0.0 0 0.0 12 45
24 A 24 TYR Y H H 4 < TS+ 0 0 -92.9 -26.7 179.9 33.1 122.9 43.1 21 -1.6 0 0.0 0 0.0 0 0.0 9 35
25 A 25 GLN Q H H < TS+ 0 0 -101.7 -22.9 -177.7 13.1 139.0 45.9 21 -1.3 0 0.0 0 0.0 0 0.0 10 32
26 A 26 PHE F S h < TS- 0 0 -130.1 -9.7 -177.0 -118.9 89.9 61.8 22 -2.0 0 0.0 0 0.0 0 0.0 8 35
27 A 27 GLY G + 0 0 67.3 26.4 -178.3 166.4 55.5 37.0 0 0.0 29 -1.8 0 0.0 147 -0.7 11 46
28 A 28 ASP D e + 0 0 -78.9 77.3 -179.5 74.9 36.5 121.9 22 -1.9 93 -2.0 0 0.0 0 0.0 13 52
29 A 29 GLY G E E AC - 92 0 -174.4 168.6 -179.1 -126.6 65.3 167.2 27 -1.8 147 -2.1 0 0.0 0 0.0 13 58
30 A 30 VAL V E E ACB - 91 146 -126.5 162.9 -178.1 -168.2 24.2 147.0 91 -2.1 91 -2.2 0 0.0 0 0.0 14 51
31 A 31 TYR Y E E AC - 90 0 -148.8 173.7 179.1 -155.1 11.5 157.8 145 -2.1 0 0.0 0 0.0 0 0.0 12 62
32 A 32 GLU E E E AC - 89 0 -148.5 157.1 176.2 -152.6 7.5 167.0 89 -2.6 89 -2.3 0 0.0 0 0.0 12 59
33 A 33 VAL V E E AC - 88 0 -132.8 125.3 179.7 -168.5 15.4 176.8 0 0.0 0 0.0 0 0.0 0 0.0 10 60
34 A 34 VAL V E E AC - 87 0 -120.6 125.3 179.7 -136.8 15.4 170.1 87 -2.7 87 -2.9 0 0.0 0 0.0 13 61
35 A 35 LYS K E E AC - 86 0 -80.8 138.9 179.4 -153.0 14.7 126.6 0 0.0 42 -2.9 0 0.0 0 0.0 12 54
36 A 36 VAL V E E ACD - 85 41 -116.2 127.6 -179.6 -164.2 5.3 164.4 85 -3.0 85 -1.7 0 0.0 38 -0.6 14 52
37 A 37 TYR Y E E A D> TS- 0 40 -116.0 110.5 -179.5 -27.8 74.3 158.7 40 -3.8 40 -1.3 0 0.0 0 0.0 12 39
38 A 38 ASN N T T 3 TS- 0 0 51.2 50.3 179.3 -43.7 129.7 20.2 36 -0.6 0 0.0 0 0.0 0 0.0 8 29
39 A 39 GLY G T T 3 TS+ 0 0 75.6 6.1 179.8 116.8 118.0 59.3 83 -3.4 0 0.0 0 0.0 0 0.0 11 33
40 A 40 GLU E E E AD < T - 37 0 -111.8 125.5 179.1 -134.2 62.7 158.2 37 -1.3 37 -3.8 0 0.0 0 0.0 8 40
41 A 41 MET M E E AD > T - 36 0 -77.9 124.4 179.6 -135.1 22.0 130.2 0 0.0 44 -0.5 0 0.0 0 0.0 10 50
42 A 42 PHE F T e 3 TS- 0 0 -84.7 131.3 -179.6 -20.1 75.6 133.7 35 -2.9 0 0.0 0 0.0 0 0.0 10 49
43 A 43 THR T T h > 3 TS+ 0 0 38.4 46.9 -179.4 158.9 78.8 38.2 0 0.0 47 -1.8 0 0.0 0 0.0 7 44
44 A 44 VAL V H H > < T + 0 0 -65.0 -30.6 178.7 61.5 67.1 35.5 41 -0.5 48 -2.5 0 0.0 0 0.0 9 49
45 A 45 ASN N H H > TS+ 0 0 -61.9 -44.1 179.7 44.6 106.7 25.4 0 0.0 49 -2.0 0 0.0 0 0.0 6 38
46 A 46 GLU E H H > TS+ 0 0 -68.1 -40.5 179.8 50.0 113.6 29.3 0 0.0 50 -1.9 0 0.0 0 0.0 8 40
47 A 47 HIS H H H X TS+ 0 0 -67.7 -38.4 178.9 46.6 112.1 26.7 43 -1.8 51 -2.0 0 0.0 0 0.0 12 51
48 A 48 ILE I H H X TS+ 0 0 -69.9 -40.1 179.0 52.7 110.9 23.4 44 -2.5 52 -2.3 0 0.0 0 0.0 12 49
49 A 49 ASP D H H X TS+ 0 0 -61.2 -41.4 178.9 48.0 110.5 25.8 45 -2.0 53 -1.9 0 0.0 0 0.0 9 41
50 A 50 ARG R H H X TS+ 0 0 -68.4 -36.6 179.1 56.7 106.7 28.2 46 -1.9 54 -3.2 0 0.0 0 0.0 9 47
51 A 51 LEU L H H X TS+ 0 0 -59.2 -47.1 179.3 42.2 112.0 17.4 47 -2.0 55 -2.1 0 0.0 0 0.0 11 56
52 A 52 TYR Y H H X TS+ 0 0 -67.7 -32.6 178.9 51.9 114.7 33.0 48 -2.3 56 -2.6 0 0.0 0 0.0 9 43
53 A 53 ALA A H H X TS+ 0 0 -69.7 -44.3 178.5 47.8 109.5 25.4 49 -1.9 57 -1.9 0 0.0 0 0.0 8 38
54 A 54 SER S H H X TS+ 0 0 -60.3 -43.9 178.4 50.7 113.4 24.1 50 -3.2 58 -0.8 0 0.0 0 0.0 12 45
55 A 55 ALA A H H < >>TS+ 0 0 -57.7 -54.0 179.3 49.2 108.7 18.0 51 -2.1 60 -2.2 0 0.0 58 -1.5 13 47
56 A 56 GLU E H H < >5TS+ 0 0 -56.1 -35.4 -179.6 62.9 103.6 32.2 52 -2.6 59 -1.6 0 0.0 0 0.0 9 33
57 A 57 LYS K H H < 35TS+ 0 0 -63.9 -25.6 176.8 33.5 113.1 43.2 53 -1.9 0 0.0 0 0.0 0 0.0 8 33
58 A 58 ILE I T h < <5TS- 0 0 -116.5 24.8 178.2 -111.5 119.1 89.7 55 -1.5 0 0.0 54 -0.8 0 0.0 6 40
59 A 59 ARG R T T <5T + 0 0 48.9 44.6 176.7 149.5 63.5 36.5 56 -1.6 61 -0.5 0 0.0 0 0.0 6 33
60 A 60 ILE I t > T - 0 0 -79.2 159.2 -179.2 -103.3 33.0 108.2 0 0.0 69 -1.7 0 0.0 68 -0.9 7 28
66 A 66 LYS K H H > 3 TS+ 0 0 -43.6 -48.1 179.6 57.6 118.4 35.9 0 0.0 70 -2.6 0 0.0 0 0.0 8 33
67 A 67 ASP D H H > 3 TS+ 0 0 -53.7 -42.7 179.3 46.0 109.7 24.6 0 0.0 71 -1.8 0 0.0 0 0.0 6 22
68 A 68 LYS K H H > < TS+ 0 0 -70.3 -33.2 179.7 53.9 110.5 34.2 65 -0.9 72 -1.9 0 0.0 0 0.0 8 28
69 A 69 PHE F H H X TS+ 0 0 -68.9 -44.8 179.0 47.4 108.8 20.9 65 -1.7 73 -2.0 0 0.0 0 0.0 10 50
70 A 70 HIS H H H X TS+ 0 0 -61.1 -42.9 179.3 52.3 111.4 25.5 66 -2.6 74 -2.5 0 0.0 0 0.0 10 46
71 A 71 GLN Q H H X TS+ 0 0 -60.5 -43.0 179.1 47.7 110.3 25.7 67 -1.8 75 -1.9 0 0.0 0 0.0 8 30
72 A 72 LEU L H H X TS+ 0 0 -68.3 -35.5 178.7 48.6 112.7 31.6 68 -1.9 76 -1.3 0 0.0 0 0.0 11 42
73 A 73 LEU L H H X TS+ 0 0 -71.7 -35.9 179.8 55.5 108.4 29.9 69 -2.0 77 -1.6 0 0.0 0 0.0 10 59
74 A 74 HIS H H H X TS+ 0 0 -63.6 -43.3 -179.8 42.3 111.0 23.8 70 -2.5 78 -1.5 0 0.0 0 0.0 8 44
75 A 75 GLU E H H X TS+ 0 0 -75.9 -24.3 179.5 62.1 107.3 40.9 71 -1.9 79 -2.4 0 0.0 0 0.0 8 38
76 A 76 LEU L H H X TS+ 0 0 -65.1 -43.4 179.3 45.7 105.8 25.5 72 -1.3 80 -1.5 0 0.0 0 0.0 14 48
77 A 77 VAL V H H X >TS+ 0 0 -64.7 -45.6 179.7 47.0 115.0 23.9 73 -1.6 82 -2.1 0 0.0 81 -0.7 12 47
78 A 78 GLU E H H < 5TS+ 0 0 -64.5 -39.9 -179.9 51.8 111.4 28.9 74 -1.5 0 0.0 0 0.0 0 0.0 9 35
79 A 79 LYS K H H < 5TS+ 0 0 -67.6 -32.5 179.4 40.3 115.7 37.1 75 -2.4 0 0.0 0 0.0 0 0.0 9 33
80 A 80 ASN N H H < 5TS- 0 0 -94.0 -4.6 -179.4 -131.3 104.4 61.8 76 -1.5 0 0.0 0 0.0 0 0.0 9 35
81 A 81 GLU E T h < 5T - 0 0 54.8 40.8 -179.7 -173.6 36.3 27.8 77 -0.7 0 0.0 0 0.0 0 0.0 7 30
82 A 82 LEU L t T + 0 0 -79.3 59.1 -177.4 157.8 57.3 107.5 0 0.0 125 -2.3 0 0.0 0 0.0 8 35
122 A 122 LEU L H H > T + 0 0 -52.2 -46.5 178.9 52.0 66.8 33.3 120 -2.1 126 -1.8 0 0.0 0 0.0 6 30
123 A 123 GLU E H H > TS+ 0 0 -60.3 -41.7 178.9 45.1 113.7 25.1 0 0.0 127 -2.9 0 0.0 0 0.0 7 24
124 A 124 ASN N H H > TS+ 0 0 -68.8 -39.3 -179.6 53.2 110.8 30.1 0 0.0 128 -2.0 0 0.0 0 0.0 10 37
125 A 125 LEU L H H < TS+ 0 0 -64.8 -32.7 -179.6 37.2 118.5 33.7 121 -2.3 0 0.0 0 0.0 0 0.0 11 42
126 A 126 GLU E H H < TS+ 0 0 -83.8 -50.6 -176.0 27.8 129.0 21.2 122 -1.8 0 0.0 0 0.0 0 0.0 7 33
127 A 127 LYS K H H < TS- 0 0 -89.3 -26.9 -177.7 -136.0 94.8 44.2 123 -2.9 0 0.0 0 0.0 0 0.0 8 36
128 A 128 GLY G h < T - 0 0 88.6 169.6 -178.4 -111.0 19.0 97.9 124 -2.0 0 0.0 0 0.0 0 0.0 13 47
129 A 129 VAL V E E Bf - 248 0 -139.1 170.2 178.1 -104.8 15.0 148.9 247 -2.3 249 -2.0 0 0.0 250 -1.2 12 51
130 A 130 LYS K E E Bf - 250 0 -95.7 142.6 179.6 -173.7 36.5 140.7 0 0.0 165 -2.3 0 0.0 166 -0.9 13 48
131 A 131 ALA A E E Bfg - 251 166 -129.7 171.5 -179.5 -148.6 10.2 142.7 250 -3.0 252 -2.0 0 0.0 0 0.0 14 57
132 A 132 THR T E E B g - 0 167 -144.6 144.2 178.8 -114.5 20.5 174.7 166 -1.5 168 -3.2 0 0.0 0 0.0 11 54
133 A 133 PHE F E E B g + 0 168 -80.9 136.4 -179.7 176.2 35.0 128.2 0 0.0 0 0.0 0 0.0 0 0.0 11 59
134 A 134 VAL V E E B g - 0 169 -144.0 129.2 -179.7 -105.8 35.8 170.2 168 -2.3 170 -1.2 0 0.0 0 0.0 9 47
135 A 135 GLU E E E B g - 0 170 -56.5 129.5 179.9 -124.9 33.0 106.2 0 0.0 137 -0.8 0 0.0 0 0.0 9 38
136 A 136 ASP D e + 0 0 -80.5 108.6 -178.9 163.5 40.6 136.9 170 -2.9 0 0.0 0 0.0 0 0.0 9 46
137 A 137 ILE I + 0 0 -112.3 15.4 -178.6 120.6 32.3 78.0 135 -0.8 0 0.0 0 0.0 0 0.0 6 35
138 A 138 ARG R - 0 0 -74.8 174.3 179.7 -81.7 67.7 93.2 0 0.0 0 0.0 0 0.0 0 0.0 7 39
139 A 139 TRP W - 0 0 -70.0 177.9 -177.6 -103.2 41.7 93.5 0 0.0 0 0.0 0 0.0 0 0.0 5 33
140 A 140 LEU L S S S+ 0 0 -93.5 16.8 177.3 69.7 104.3 79.5 0 0.0 0 0.0 0 0.0 0 0.0 6 29
141 A 141 ARG R t > T + 0 0 -127.3 55.0 180.0 144.2 47.8 111.0 0 0.0 144 -1.7 0 0.0 0 0.0 8 37
142 A 142 CYS C T T 3 T + 0 0 -71.3 -2.6 176.9 77.0 62.1 59.6 198 -2.3 0 0.0 0 0.0 0 0.0 11 46
143 A 143 ASP D T T 3 TS+ 0 0 -78.4 -18.7 178.1 76.0 82.7 48.4 0 0.0 0 0.0 0 0.0 0 0.0 11 46
144 A 144 ILE I S t < TS- 0 0 -95.0 126.5 179.7 -139.4 81.8 147.6 141 -1.7 146 -1.7 0 0.0 0 0.0 9 48
145 A 145 LYS K + 0 0 -86.8 72.8 -178.3 163.2 45.8 124.7 0 0.0 31 -2.1 0 0.0 0 0.0 10 60
146 A 146 SER S B B B - 30 0 -90.8 170.5 179.1 -112.0 54.4 111.8 144 -1.7 0 0.0 0 0.0 0 0.0 11 54
147 A 147 LEU L S S S+ 0 0 -78.8 -5.4 177.4 104.9 87.8 63.3 29 -2.1 149 -1.8 27 -0.7 0 0.0 10 46
148 A 148 ASN N + 0 0 -77.2 86.8 -177.2 140.7 40.2 129.0 0 0.0 0 0.0 0 0.0 0 0.0 8 40
149 A 149 LEU L h > T + 0 0 -119.3 18.3 -178.8 114.0 19.8 80.2 147 -1.8 153 -1.8 0 0.0 0 0.0 7 41
150 A 150 LEU L H H > TS+ 0 0 -59.2 -37.9 178.6 54.2 78.1 30.5 0 0.0 154 -2.2 0 0.0 0 0.0 6 33
151 A 151 GLY G H H > TS+ 0 0 -61.3 -48.6 179.6 46.0 110.1 18.7 0 0.0 155 -2.0 0 0.0 0 0.0 10 40
152 A 152 ALA A H H > TS+ 0 0 -64.5 -31.2 177.9 56.3 109.5 38.6 0 0.0 156 -2.5 0 0.0 0 0.0 10 45
153 A 153 VAL V H H X TS+ 0 0 -63.5 -56.7 179.6 43.7 109.6 12.9 149 -1.8 157 -2.5 0 0.0 0 0.0 9 31
154 A 154 LEU L H H X TS+ 0 0 -57.7 -38.0 179.2 50.0 115.8 30.6 150 -2.2 158 -1.6 0 0.0 0 0.0 8 31
155 A 155 ALA A H H X TS+ 0 0 -68.3 -46.2 179.2 47.9 110.4 22.4 151 -2.0 159 -2.1 0 0.0 0 0.0 11 38
156 A 156 LYS K H H X TS+ 0 0 -60.6 -43.9 179.4 53.2 110.6 23.6 152 -2.5 160 -2.4 0 0.0 0 0.0 11 37
157 A 157 GLN Q H H X TS+ 0 0 -58.6 -42.0 179.6 52.0 106.6 28.4 153 -2.5 161 -2.1 0 0.0 0 0.0 8 29
158 A 158 GLU E H H X TS+ 0 0 -60.2 -48.5 178.9 48.7 110.2 17.4 154 -1.6 162 -0.9 0 0.0 0 0.0 9 32
159 A 159 ALA A H H < >>TS+ 0 0 -57.8 -45.3 179.5 49.0 111.6 29.1 155 -2.1 164 -3.3 0 0.0 162 -0.5 14 36
160 A 160 HIS H H H < >5TS+ 0 0 -65.5 -35.2 179.0 57.4 105.5 31.6 156 -2.4 163 -1.5 0 0.0 0 0.0 10 27
161 A 161 GLU E H H < 35TS+ 0 0 -66.3 -23.3 179.1 47.2 109.1 42.9 157 -2.1 0 0.0 0 0.0 0 0.0 7 20
162 A 162 LYS K T h < <5TS- 0 0 -99.0 8.3 -179.3 -108.2 121.2 75.5 158 -0.9 0 0.0 159 -0.5 0 0.0 6 25
163 A 163 GLY G T T <5TS+ 0 0 72.1 19.1 179.6 138.8 75.5 44.5 160 -1.5 0 0.0 0 0.0 0 0.0 7 28
164 A 164 CYS C t TS- 0 174 -102.3 103.2 178.8 -27.0 91.5 154.8 174 -2.4 174 -1.6 0 0.0 0 0.0 10 38
172 A 172 ASN N T T 3 TS- 0 0 55.4 48.6 178.9 -42.9 130.3 24.2 170 -0.8 0 0.0 0 0.0 0 0.0 5 23
173 A 173 ASN N T T 3 TS+ 0 0 83.3 -8.9 178.8 118.6 113.4 74.1 0 0.0 227 -2.5 0 0.0 175 -0.6 9 27
174 A 174 THR T E E BHC< T - 171 226 -92.9 118.5 -179.6 -127.4 65.9 144.5 171 -1.6 171 -2.4 0 0.0 0 0.0 10 39
175 A 175 VAL V E E BH + 170 0 -65.9 129.5 178.9 164.6 36.8 115.3 225 -2.5 0 0.0 173 -0.6 0 0.0 14 55
176 A 176 THR T E E B* - 0 0 -107.2 -79.7 178.2 -49.9 52.4 46.1 169 -2.3 0 0.0 0 0.0 0 0.0 15 60
177 A 177 GLU E E E B* - 0 0 -150.5 179.3 178.9 -86.8 56.3 149.6 0 0.0 169 -2.0 0 0.0 0 0.0 14 71
178 A 178 GLY G E E BHD> T - 168 181 -90.4 167.3 -179.3 -97.7 47.3 120.7 181 -2.9 181 -0.9 0 0.0 0 0.0 12 75
179 A 179 SER S T e 3 TS+ 0 0 -55.0 -26.6 177.9 1.8 122.5 39.2 167 -1.7 0 0.0 0 0.0 0 0.0 12 56
180 A 180 SER S T T 3 TS+ 0 0 -153.1 41.1 -179.4 48.8 131.6 95.6 0 0.0 0 0.0 0 0.0 0 0.0 8 63
181 A 181 SER S B B D < TS- 178 0 -168.1 170.1 176.3 -103.6 75.9 166.5 178 -0.9 178 -2.9 0 0.0 0 0.0 10 64
182 A 182 ASN N E E BI - 239 0 -104.0 151.4 -178.2 -132.8 35.2 141.0 239 -2.3 239 -2.4 0 0.0 0 0.0 14 64
183 A 183 VAL V E E BI - 238 0 -113.4 133.5 179.6 -170.1 18.8 157.7 0 0.0 194 -0.5 0 0.0 0 0.0 14 77
184 A 184 PHE F E E BIJ - 237 193 -121.7 143.1 178.2 -164.5 2.7 161.4 237 -3.0 237 -2.1 0 0.0 0 0.0 11 83
185 A 185 GLY G E E BIJ - 236 192 -125.1 147.4 179.5 -156.7 4.4 159.0 192 -2.6 192 -3.3 0 0.0 0 0.0 13 65
186 A 186 ILE I E E BIJ + 235 191 -128.2 128.2 178.6 165.9 16.5 172.4 235 -2.7 235 -1.9 0 0.0 234 -1.9 13 57
187 A 187 LYS K E E B J> TS- 0 190 -144.0 121.3 -179.8 -13.4 71.9 161.5 190 -1.9 190 -1.1 0 0.0 0 0.0 10 37
188 A 188 ASP D T T 3 TS- 0 0 55.5 45.0 179.0 -52.0 127.5 29.1 0 0.0 0 0.0 0 0.0 0 0.0 5 26
189 A 189 GLY G T T 3 TS+ 0 0 71.7 11.5 179.3 121.7 112.1 52.6 0 0.0 0 0.0 0 0.0 0 0.0 8 31
190 A 190 ILE I E E BJ < T - 187 0 -110.7 135.1 -179.2 -138.9 56.8 156.6 187 -1.1 187 -1.9 0 0.0 192 -0.6 10 40
191 A 191 LEU L E E BJk - 186 220 -95.3 118.3 -179.8 -172.5 22.6 145.0 219 -3.1 221 -3.1 0 0.0 0 0.0 12 53
192 A 192 TYR Y E E BJk + 185 221 -111.9 148.7 178.9 153.5 12.9 147.5 185 -3.3 185 -2.6 190 -0.6 0 0.0 14 50
193 A 193 THR T E E BJ - 184 0 -169.8 146.1 -179.1 -85.1 48.1 161.1 221 -1.4 0 0.0 0 0.0 0 0.0 12 58
194 A 194 HIS H e - 0 0 -56.3 137.4 179.7 -104.6 53.8 106.1 183 -0.5 0 0.0 0 0.0 0 0.0 13 50
195 A 195 PRO P - 0 0 -62.2 154.8 -178.7 -104.5 34.9 102.7 0 0.0 197 -1.6 0 0.0 0 0.0 8 37
196 A 196 ALA A S S S+ 0 0 -86.6 77.4 177.0 120.8 73.8 125.0 0 0.0 0 0.0 0 0.0 0 0.0 9 39
197 A 197 ASN N S t > TS- 0 0 -113.9 -155.6 -178.8 -60.3 84.5 106.5 195 -1.6 200 -1.2 0 0.0 0 0.0 8 30
198 A 198 ASN N T T 3 TS+ 0 0 -68.9 -9.9 -177.6 70.5 123.6 53.4 0 0.0 142 -2.3 0 0.0 0 0.0 9 31
199 A 199 MET M T T 3 TS+ 0 0 -84.6 -14.5 -179.6 27.1 104.3 54.5 0 0.0 0 0.0 0 0.0 0 0.0 10 44
200 A 200 ILE I S t < TS- 0 0 -144.5 164.1 176.5 -105.6 79.9 163.3 197 -1.2 0 0.0 0 0.0 0 0.0 14 53
201 A 201 LEU L - 0 0 -89.4 131.0 178.8 -127.2 35.2 142.3 0 0.0 203 -1.8 0 0.0 0 0.0 13 59
202 A 202 LYS K - 0 0 -79.9 84.9 -178.5 -146.5 37.7 129.8 0 0.0 0 0.0 0 0.0 0 0.0 9 53
203 A 203 GLY G h > T - 0 0 -56.2 148.9 178.5 -138.3 17.5 96.2 201 -1.8 207 -1.8 0 0.0 0 0.0 10 59
204 A 204 ILE I H H > TS+ 0 0 -72.4 -40.4 179.0 47.8 110.5 25.8 0 0.0 208 -2.1 0 0.0 0 0.0 10 52
205 A 205 THR T H H > TS+ 0 0 -66.8 -36.9 177.4 56.4 108.2 29.9 0 0.0 209 -2.4 0 0.0 0 0.0 10 54
206 A 206 ARG R H H > TS+ 0 0 -59.1 -47.6 -179.5 46.2 108.9 18.7 0 0.0 210 -2.0 0 0.0 0 0.0 11 58
207 A 207 ASP D H H X TS+ 0 0 -65.4 -37.7 178.5 50.2 111.8 29.7 203 -1.8 211 -1.9 0 0.0 0 0.0 9 50
208 A 208 VAL V H H X TS+ 0 0 -67.0 -38.5 179.4 50.9 110.4 28.9 204 -2.1 212 -2.2 0 0.0 0 0.0 9 54
209 A 209 VAL V H H X TS+ 0 0 -66.5 -39.3 178.7 48.3 110.4 29.8 205 -2.4 213 -2.1 0 0.0 0 0.0 10 60
210 A 210 ILE I H H X TS+ 0 0 -69.0 -34.9 177.9 52.1 110.6 29.1 206 -2.0 214 -1.8 0 0.0 0 0.0 9 50
211 A 211 ALA A H H X TS+ 0 0 -65.6 -40.2 179.2 50.8 108.9 26.0 207 -1.9 215 -1.9 0 0.0 0 0.0 8 40
212 A 212 CYS C H H X TS+ 0 0 -63.3 -42.0 179.5 52.4 107.8 25.6 208 -2.2 216 -1.8 0 0.0 0 0.0 11 37
213 A 213 ALA A H H < >TS+ 0 0 -62.4 -39.2 179.2 49.2 109.3 29.2 209 -2.1 218 -3.3 0 0.0 0 0.0 12 41
214 A 214 ASN N H H < >5TS+ 0 0 -68.3 -36.3 179.8 53.4 109.1 29.8 210 -1.8 217 -0.7 0 0.0 0 0.0 10 29
215 A 215 GLU E H H < 35TS+ 0 0 -67.9 -33.3 179.2 39.1 115.3 32.6 211 -1.9 0 0.0 0 0.0 0 0.0 7 24
216 A 216 ILE I T h < 35TS- 0 0 -97.9 7.7 179.2 -117.6 115.9 70.3 212 -1.8 0 0.0 0 0.0 0 0.0 7 28
217 A 217 ASN N T T <5T + 0 0 60.8 37.8 178.0 159.0 55.6 36.2 214 -0.7 0 0.0 0 0.0 0 0.0 6 24
218 A 218 MET M t C T - 174 0 -82.5 169.0 178.5 -106.4 30.0 111.1 0 0.0 230 -2.3 0 0.0 0 0.0 10 38
227 A 227 THR T H H > TS+ 0 0 -61.9 -36.1 179.8 51.6 122.5 28.9 173 -2.5 231 -1.5 0 0.0 0 0.0 11 47
228 A 228 HIS H H H > TS+ 0 0 -69.8 -36.6 178.2 46.7 110.5 30.8 0 0.0 232 -0.5 0 0.0 0 0.0 7 37
229 A 229 GLU E H H 4 > TS+ 0 0 -71.4 -37.7 178.7 57.7 107.5 31.0 0 0.0 232 -0.8 0 0.0 0 0.0 8 39
230 A 230 ALA A H H < > TS+ 0 0 -58.8 -39.0 -179.9 56.7 101.7 27.8 226 -2.3 233 -1.5 0 0.0 0 0.0 11 56
231 A 231 LEU L H H < 3 TS+ 0 0 -65.9 -23.4 -179.0 47.4 108.0 43.5 227 -1.5 0 0.0 0 0.0 0 0.0 10 44
232 A 232 LYS K T h < < TS+ 0 0 -105.9 19.2 178.6 121.9 85.2 82.5 229 -0.8 0 0.0 228 -0.5 0 0.0 8 36
233 A 233 MET M t < T - 0 0 -78.8 152.7 178.5 -133.4 65.4 117.8 230 -1.5 0 0.0 0 0.0 0 0.0 12 43
234 A 234 ASP D S S S+ 0 0 -71.9 -38.2 -179.8 8.7 90.2 30.8 186 -1.9 0 0.0 0 0.0 0 0.0 11 40
235 A 235 GLU E E E BI - 186 0 -141.3 157.5 -179.4 -173.0 66.3 165.2 186 -1.9 186 -2.7 0 0.0 0 0.0 15 55
236 A 236 LEU L E E BI + 185 0 -153.8 142.4 178.4 159.2 10.5 173.7 0 0.0 248 -2.6 0 0.0 0 0.0 15 75
237 A 237 PHE F E E BIL - 184 247 -159.3 163.9 179.2 -131.6 26.0 170.3 184 -2.1 184 -3.0 0 0.0 0 0.0 12 79
238 A 238 VAL V E E BIL - 183 246 -121.5 150.8 -179.4 -151.2 17.6 154.5 246 -2.6 246 -2.4 0 0.0 0 0.0 15 72
239 A 239 THR T E E BIL + 182 245 -128.1 142.5 177.7 139.4 25.8 166.0 182 -2.4 182 -2.3 0 0.0 0 0.0 15 64
240 A 240 SER S E E >B L T - 0 244 -166.5 162.1 -179.3 -97.2 60.7 163.2 244 -0.8 244 -2.3 0 0.0 0 0.0 14 55
241 A 241 THR T T T 4 TS+ 0 0 -55.2 -38.7 180.0 32.9 127.1 26.3 0 0.0 0 0.0 0 0.0 0 0.0 10 61
242 A 242 THR T T T 4 TS+ 0 0 -91.0 -25.4 -179.5 45.3 122.8 40.1 0 0.0 0 0.0 0 0.0 0 0.0 8 53
243 A 243 SER S T T 4 TS- 0 0 -93.5 -12.7 -178.1 -173.5 79.2 54.3 0 0.0 0 0.0 0 0.0 0 0.0 10 58
244 A 244 GLU E E E TS- 131 254 -129.9 112.6 179.9 -24.4 80.4 162.8 254 -2.8 254 -1.8 0 0.0 0 0.0 13 52
252 A 252 ASP D T e 3 TS- 0 0 54.1 48.8 -180.0 -47.5 127.0 24.9 131 -2.0 0 0.0 0 0.0 0 0.0 8 35
253 A 253 GLY G T T 3 TS+ 0 0 80.8 -15.9 -179.5 118.5 115.0 77.0 0 0.0 255 -0.6 0 0.0 0 0.0 5 31
254 A 254 LYS K E E BM < T - 251 0 -91.3 121.0 -179.4 -131.0 62.8 139.4 251 -1.8 251 -2.8 0 0.0 0 0.0 7 32
255 A 255 LEU L E E BM - 250 0 -70.5 137.6 177.0 -125.5 13.2 113.6 253 -0.6 257 -1.1 0 0.0 0 0.0 10 35
256 A 256 ILE I S e > TS- 0 0 -83.8 103.2 -177.2 -52.2 77.6 142.2 249 -2.5 259 -2.2 0 0.0 0 0.0 16 44
257 A 257 ARG R T T 3 TS- 0 0 64.2 -117.9 -179.9 -12.1 128.2 117.8 255 -1.1 0 0.0 0 0.0 0 0.0 9 35
258 A 258 ASP D T T 3 TS- 0 0 -92.7 3.4 -179.1 -109.4 95.9 67.9 0 0.0 0 0.0 0 0.0 0 0.0 5 27
259 A 259 GLY G S t < TS+ 0 0 74.8 23.2 179.9 121.8 81.2 42.6 256 -2.2 0 0.0 0 0.0 0 0.0 8 34
260 A 260 LYS K S S S- 0 0 -117.9 151.8 179.4 -93.8 74.7 149.4 0 0.0 0 0.0 0 0.0 0 0.0 8 35
261 A 261 VAL V - 0 0 -65.6 126.8 -178.3 -122.7 52.7 118.5 0 0.0 0 0.0 0 0.0 0 0.0 13 42
262 A 262 GLY G h > T - 0 0 -73.8 164.4 -179.3 -114.2 8.7 100.8 0 0.0 266 -1.6 0 0.0 0 0.0 8 42
263 A 263 GLU E H H > TS+ 0 0 -62.3 -47.3 -179.1 44.0 113.1 29.5 0 0.0 267 -2.0 0 0.0 0 0.0 6 39
264 A 264 TRP W H H > TS+ 0 0 -72.0 -32.0 177.9 57.6 108.7 32.9 0 0.0 268 -2.8 0 0.0 0 0.0 9 47
265 A 265 THR T H H > TS+ 0 0 -62.4 -38.8 178.6 47.7 109.6 24.7 0 0.0 269 -2.4 0 0.0 0 0.0 13 60
266 A 266 ARG R H H X TS+ 0 0 -67.2 -45.9 179.2 49.1 110.9 23.2 262 -1.6 270 -2.4 0 0.0 0 0.0 9 43
267 A 267 LYS K H H X TS+ 0 0 -59.9 -43.3 -179.8 48.8 112.9 24.9 263 -2.0 271 -1.9 0 0.0 0 0.0 8 39
268 A 268 LEU L H H X TS+ 0 0 -63.6 -43.3 178.5 49.6 110.6 24.0 264 -2.8 272 -2.1 0 0.0 0 0.0 11 50
269 A 269 GLN Q H H X TS+ 0 0 -62.0 -39.3 -179.5 54.4 108.6 28.1 265 -2.4 273 -1.8 0 0.0 0 0.0 9 53
270 A 270 LYS K H H X TS+ 0 0 -61.0 -45.6 179.8 44.0 111.1 22.4 266 -2.4 274 -0.6 0 0.0 0 0.0 8 33
271 A 271 GLN Q H H < > TS+ 0 0 -69.1 -34.9 178.9 55.9 110.2 34.2 267 -1.9 274 -0.5 0 0.0 0 0.0 10 31
272 A 272 PHE F H H X > TS+ 0 0 -65.6 -34.3 -179.5 60.4 100.4 31.1 268 -2.1 275 -1.4 0 0.0 276 -0.7 11 46
273 A 273 GLU E H H < 3 TS+ 0 0 -65.4 -26.9 179.1 63.1 94.3 40.1 269 -1.8 0 0.0 0 0.0 0 0.0 7 38
274 A 274 THR T T h < < TS+ 0 0 -71.9 -15.6 -179.3 52.8 101.6 48.3 270 -0.6 0 0.0 271 -0.5 0 0.0 6 24
275 A 275 LYS K T T 4 < TS+ 0 0 -90.5 -24.7 -179.4 109.3 83.0 45.5 272 -1.4 0 0.0 0 0.0 0 0.0 6 37
276 A 276 ILE I t < T 0 0 -57.1 134.4 179.6 999.9 999.9 104.6 272 -0.7 0 0.0 0 0.0 0 0.0 7 39
277 A 277 PRO P 0 0 -63.2 999.9 999.9 999.9 999.9 115.8 0 0.0 0 0.0 0 0.0 0 0.0 7 26
3daaA.pdb
3DAA AMINOTRANSFERASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEETTEEEEGGG TTBHHHHS EEEEEEEEETTEETTHHHHHHHHHHHHHHTT SS HHHHHHHHHHHHHHHT SEEEEEEEES B S S Kabs/Sand
chirality -----+-+--++++---++-++++-++----------+---+++++++++++++++-+---+--++++++++++++++--+-+---++-----+--+-+ chirality
bends SS SSS SS SSSSS SSS SS SSSSSSSSSSSSSS SS SSSSSSSSSSSSSSS SS S S S bends
turns TTTT TTTTT TTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >>3<< >33X33< >33<>33< >>3<< >33< 3-turns
bridge-2 BB B DD EEEEEEEE bridge-2
bridge-1 AAAA AAAA A CCCCCCCC DD CCCCCCCC A bridge-1
sheets AAAA AAAA AAAAAAAAA AA AAAAAAAA sheets
4-turns >444< >>44<< >>>>XXXXXXXX<<<< >>>>XXXXXXXXX<<<< 4-turns
summary eEEEEeTEEEEeGGg tTThHHHHh eEEEEEEEEETTEEehHHHHHHHHHHHHHHhTt SShHHHHHHHHHHHHHHHht eEEEEEEEEe B S S summary
sequence GYTLWNDQIVKDEEVKIDKEDRGYQFGDGVYEVVKVYNGEMFTVNEHIDRLYASAEKIRITIPYTKDKFHQLLHELVEKNELNTGHIYFQVTRGTSPRAH sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand S SS EEEEEEEE HHHHHH EEEEEEE S TTS BS HHHHHHHHHHHHTT SEEEEEETTEEEEETTBEEEEEETTEEEE SSTTS Kabs/Sand
chirality ---+------+++---+---++++++------+--++--++++-+-+++++++++++++++-+-+-------+-+---++-----+--+--+---+-++- chirality
bends S SS SSSSS S SS S SSSSSSSSSSSSSS S SSS SSS SSS SSSSS bends
turns TTTTTTTT TTTT TTTTTTTTTTTTTTTT TTTT TTTT TTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >>3<< >33< >33< >33< >33< 3-turns
bridge-2 EEEEEEEE ggggg H*HH C D JJJJ kk bridge-2
bridge-1 BB fff B ggggg HH**H DIIIII JJJJ bridge-1
sheets AAAAAAAA BBBBBBB BBBBBB BBBBB BBBBBB BBBB sheets
4-turns >>>><<<< >>>>XXXXXX<<<< 4-turns
summary S SS EEEEEEEEe hHHHHHHhEEEEEEEe StTTt BS hHHHHHHHHHHHHhTtSEEEEEETTEEEEEeTBEEEEEETTEEEEe StTTt summary
sequence QFPENTVKPVIIGYTKENPRPLENLEKGVKATFVEDIRWLRCDIKSLNLLGAVLAKQEAHEKGCYEAILHRNNTVTEGSSSNVFGIKDGILYTHPANNMI sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHHHHTT EE BHHHHHT SEEEEEETTTEEEEEEEETTEESTTSS HHHHHHHHHHHTT Kabs/Sand
chirality ---++++++++++++-+----+----++++++-+-+--+-++-----++---+-----+---+++++++++++++ chirality
bends SSSSSSSSSSSSS SSSSSS S SSS S SSS SSSSS SSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTT TTTTTTTT TTTTT TTTT TTTT TTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >>3<< >33< >33< >>3<< 3-turns
bridge-2 LLLL MM bridge-2
bridge-1 kk C IIIII LLLLf*ff MM bridge-1
sheets BB BBBBBB BBBBBBBB BB sheets
4-turns >>>>XXXXXX<<<< >>>4<<< >444< >>>>XXXXX