Secondary structure calculation program - copyright by David Keith Smith, 1989
1axdA.pdb
1AXD COMPLEX (TRANSFERASE/LIGAND) MOL_ID: 1; MOL_ID: 1;
Sequence length - 209
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 ALA A 0 0 999.9 -59.3 -180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 19
2 A 2 PRO P - 0 0 -76.6 135.4 178.5 -126.6 999.9 121.8 0 0.0 0 0.0 0 0.0 0 0.0 8 26
3 A 3 MET M E E Aa - 28 0 -71.9 145.5 178.9 -130.3 22.8 120.8 27 -2.9 29 -2.0 0 0.0 5 -0.6 11 40
4 A 4 LYS K E E AaB - 29 58 -104.9 121.8 178.5 -157.2 14.3 156.9 58 -1.9 58 -1.7 0 0.0 6 -0.6 11 45
5 A 5 LEU L E E AaB - 30 57 -97.3 118.4 -178.1 -146.1 15.0 152.0 29 -3.5 31 -2.7 3 -0.6 0 0.0 13 57
6 A 6 TYR Y E E AaB + 31 56 -92.6 127.3 179.2 64.7 49.8 139.7 56 -3.5 56 -0.9 4 -0.6 0 0.0 13 56
7 A 7 GLY G S e S- 0 0 144.1 157.4 179.1 -75.8 80.3 128.5 31 -2.7 0 0.0 0 0.0 0 0.0 13 53
8 A 8 ALA A t > T - 0 0 -83.5 130.5 -178.7 -126.0 40.3 136.4 0 0.0 11 -2.2 0 0.0 0 0.0 11 39
9 A 9 VAL V T T 3 TS+ 0 0 -52.0 -12.3 -179.6 76.2 101.3 57.6 0 0.0 0 0.0 0 0.0 0 0.0 11 42
10 A 10 MET M T T 3 TS+ 0 0 -79.7 -6.2 179.6 91.6 75.3 56.6 0 0.0 0 0.0 0 0.0 0 0.0 7 44
11 A 11 SER S t > X T - 0 0 -90.8 128.8 179.5 -148.8 68.6 140.7 8 -2.2 15 -1.4 0 0.0 14 -0.6 8 49
12 A 12 TRP W T T 4 3 TS+ 0 0 -73.3 -2.6 177.8 62.9 96.7 55.0 0 0.0 0 0.0 0 0.0 0 0.0 9 58
13 A 13 ASN N T h > 3 TS+ 0 0 -86.9 -32.0 179.0 44.2 104.9 33.2 0 0.0 17 -0.9 0 0.0 0 0.0 10 54
14 A 14 LEU L H H > < TS+ 0 0 -79.6 -31.2 179.4 54.5 110.8 37.7 11 -0.6 18 -1.9 0 0.0 0 0.0 16 60
15 A 15 THR T H H X TS+ 0 0 -76.7 -14.8 176.2 62.9 98.3 46.6 11 -1.4 19 -1.8 0 0.0 0 0.0 12 59
16 A 16 ARG R H H > TS+ 0 0 -70.1 -40.1 178.8 43.0 108.7 20.9 0 0.0 20 -1.4 0 0.0 0 0.0 16 65
17 A 17 CYS C H H X TS+ 0 0 -68.7 -42.5 -180.0 55.1 110.5 29.9 13 -0.9 21 -2.3 0 0.0 0 0.0 12 72
18 A 18 ALA A H H X TS+ 0 0 -61.4 -33.6 179.5 56.6 103.9 31.5 14 -1.9 22 -2.3 0 0.0 0 0.0 9 68
19 A 19 THR T H H X TS+ 0 0 -63.2 -49.3 -179.2 40.8 111.1 21.6 15 -1.8 23 -1.6 0 0.0 0 0.0 15 65
20 A 20 ALA A H H X TS+ 0 0 -68.1 -36.9 -179.5 52.0 114.5 30.5 16 -1.4 24 -2.6 0 0.0 0 0.0 15 64
21 A 21 LEU L H H X >TS+ 0 0 -66.8 -39.6 179.1 48.5 110.9 24.4 17 -2.3 26 -2.7 0 0.0 25 -0.8 14 62
22 A 22 GLU E H H < 5TS+ 0 0 -66.7 -36.5 -178.8 45.9 114.4 33.3 18 -2.3 0 0.0 0 0.0 0 0.0 10 53
23 A 23 GLU E H H < 5TS+ 0 0 -76.5 -38.4 179.5 49.1 111.7 32.1 19 -1.6 0 0.0 0 0.0 0 0.0 9 48
24 A 24 ALA A H H < 5TS- 0 0 -75.2 -13.2 -179.5 -121.4 112.8 50.7 20 -2.6 0 0.0 0 0.0 0 0.0 10 42
25 A 25 GLY G T h < 5T + 0 0 72.5 47.6 -179.6 175.1 49.3 22.0 21 -0.8 0 0.0 0 0.0 0 0.0 8 35
26 A 26 SER S t T - 0 0 -86.1 124.2 179.6 -170.7 13.7 138.1 0 0.0 39 -2.0 0 0.0 40 -0.5 9 27
35 A 35 PHE F T T >5TS+ 0 0 -82.7 -26.5 -179.8 70.3 82.0 38.7 0 0.0 38 -2.0 0 0.0 0 0.0 7 23
36 A 36 ALA A T T 35TS+ 0 0 -58.4 -33.1 179.9 37.1 106.8 38.1 0 0.0 0 0.0 0 0.0 0 0.0 5 17
37 A 37 THR T T T 35TS- 0 0 -105.4 19.9 180.0 -115.4 113.8 85.7 0 0.0 0 0.0 0 0.0 0 0.0 5 17
38 A 38 ALA A T g X5T + 0 0 48.4 38.5 179.9 155.0 61.1 38.1 35 -2.0 41 -1.4 0 0.0 0 0.0 8 22
39 A 39 GLU E G G > < TS- 0 0 -89.6 156.8 179.7 -114.7 77.3 123.2 39 -1.7 46 -2.4 0 0.0 0 0.0 9 25
43 A 43 PRO P H H > TS+ 0 0 -57.5 -34.0 179.2 56.2 117.0 37.8 0 0.0 47 -0.6 0 0.0 0 0.0 6 18
44 A 44 GLU E H H 4 TS+ 0 0 -67.6 -37.0 -179.6 41.4 112.3 29.9 0 0.0 0 0.0 0 0.0 0 0.0 6 30
45 A 45 HIS H H H > > TS+ 0 0 -80.6 -31.8 178.8 64.8 104.4 34.5 0 0.0 49 -2.6 0 0.0 48 -1.9 12 37
46 A 46 LEU L H H < 3 TS+ 0 0 -64.3 -18.1 178.0 60.4 95.1 48.4 42 -2.4 0 0.0 0 0.0 0 0.0 12 29
47 A 47 VAL V T h < 3 TS+ 0 0 -82.7 -11.5 178.3 40.5 111.6 52.0 43 -0.6 0 0.0 0 0.0 0 0.0 7 28
48 A 48 ARG R T T 4 < TS+ 0 0 -97.6 -48.8 178.1 15.0 134.7 33.1 45 -1.9 0 0.0 0 0.0 0 0.0 12 38
49 A 49 ASN N t < > T - 0 0 -130.3 105.7 -179.8 -165.2 62.8 159.5 45 -2.6 52 -2.0 0 0.0 0 0.0 13 36
50 A 50 PRO P T T 3 TS+ 0 0 -61.8 -18.8 179.6 59.7 92.5 47.4 0 0.0 0 0.0 0 0.0 0 0.0 7 25
51 A 51 PHE F T T 3 TS- 0 0 -93.4 12.6 177.7 -123.3 111.6 80.4 0 0.0 0 0.0 0 0.0 0 0.0 5 26
52 A 52 GLY G t < T + 0 0 49.3 54.9 178.5 106.0 67.1 34.5 49 -2.0 0 0.0 0 0.0 0 0.0 10 32
53 A 53 GLN Q - 0 0 -150.8 172.2 179.8 -65.8 58.8 154.2 0 0.0 0 0.0 0 0.0 0 0.0 8 42
54 A 54 VAL V S S S+ 0 0 -113.6 154.0 0.5 52.6 84.9 152.9 0 0.0 0 0.0 0 0.0 0 0.0 13 50
55 A 55 PRO P e + 0 0 -78.2 168.8 177.9 160.0 59.6 63.5 0 0.0 66 -0.8 0 0.0 0 0.0 12 57
56 A 56 ALA A E E ABC - 6 65 -150.4 135.7 179.3 -154.8 20.6 163.5 6 -0.9 6 -3.5 0 0.0 0 0.0 16 58
57 A 57 LEU L E E ABC - 5 64 -120.9 143.5 179.0 -163.1 3.6 163.6 64 -2.9 64 -2.7 0 0.0 0 0.0 13 59
58 A 58 GLN Q E E ABC + 4 63 -127.8 120.9 178.0 178.8 9.1 170.1 4 -1.7 4 -1.9 0 0.0 60 -0.6 12 44
59 A 59 ASP D E E A C> TS- 0 62 -119.2 96.2 -178.8 -58.0 72.7 156.4 62 -2.4 62 -2.4 0 0.0 61 -0.8 10 37
60 A 60 GLY G T T 3 TS- 0 0 71.5 -107.3 179.9 -18.1 123.4 123.7 58 -0.6 0 0.0 0 0.0 0 0.0 6 23
61 A 61 ASP D T T 3 TS+ 0 0 -111.3 1.1 179.9 107.9 114.2 72.1 59 -0.8 0 0.0 0 0.0 0 0.0 5 19
62 A 62 LEU L E E AC < T - 59 0 -84.4 126.3 179.0 -162.8 52.7 137.1 59 -2.4 59 -2.4 0 0.0 0 0.0 6 28
63 A 63 TYR Y E E AC + 58 0 -112.3 133.4 -179.8 176.6 11.5 161.9 0 0.0 0 0.0 0 0.0 0 0.0 10 36
64 A 64 LEU L E E AC + 57 0 -136.0 153.6 178.0 178.6 6.6 163.6 57 -2.7 57 -2.9 0 0.0 0 0.0 11 43
65 A 65 PHE F E E AC + 56 0 -147.1 168.5 -175.8 70.9 43.5 158.4 0 0.0 0 0.0 0 0.0 0 0.0 12 40
66 A 66 GLU E S h > > TS- 0 0 82.8 108.7 -177.6 -119.0 73.8 43.4 55 -0.8 70 -2.1 0 0.0 69 -0.8 9 41
67 A 67 SER S H H > 3 TS+ 0 0 -44.4 -52.5 -178.7 48.9 109.8 30.4 0 0.0 71 -1.7 0 0.0 0 0.0 12 53
68 A 68 ARG R H H > 3 TS+ 0 0 -64.8 -28.4 177.8 51.4 110.5 34.6 0 0.0 72 -1.9 0 0.0 0 0.0 9 51
69 A 69 ALA A H H > < TS+ 0 0 -71.1 -43.5 179.1 50.6 109.2 20.2 66 -0.8 73 -1.7 0 0.0 0 0.0 9 46
70 A 70 ILE I H H X TS+ 0 0 -60.5 -31.7 179.5 54.3 109.1 36.9 66 -2.1 74 -1.6 0 0.0 0 0.0 13 57
71 A 71 CYS C H H X TS+ 0 0 -69.7 -50.1 -179.9 49.4 105.1 20.6 67 -1.7 75 -1.7 0 0.0 0 0.0 13 65
72 A 72 LYS K H H X TS+ 0 0 -59.8 -34.4 179.1 53.6 110.9 30.7 68 -1.9 76 -3.0 0 0.0 0 0.0 10 55
73 A 73 TYR Y H H X TS+ 0 0 -66.6 -45.3 -179.8 51.4 104.6 25.2 69 -1.7 77 -2.1 0 0.0 0 0.0 8 52
74 A 74 ALA A H H X >TS+ 0 0 -61.3 -34.1 179.5 39.5 118.2 32.0 70 -1.6 78 -1.6 0 0.0 79 -0.5 13 56
75 A 75 ALA A H H X 5TS+ 0 0 -77.6 -48.6 179.6 53.9 113.2 19.2 71 -1.7 79 -1.5 0 0.0 0 0.0 15 48
76 A 76 ARG R H H < 5TS+ 0 0 -53.4 -31.4 -178.9 37.5 118.8 39.5 72 -3.0 0 0.0 0 0.0 0 0.0 9 35
77 A 77 LYS K H H < 5TS+ 0 0 -94.2 -31.5 -178.2 12.3 135.9 42.1 73 -2.1 0 0.0 0 0.0 0 0.0 7 36
78 A 78 ASN N H H < 5TS+ 0 0 -119.5 -33.8 -179.6 17.2 136.6 44.9 74 -1.6 0 0.0 0 0.0 0 0.0 9 33
79 A 79 LYS K h < >>T + 0 0 -58.7 -21.8 -179.9 81.1 68.8 48.9 0 0.0 83 -2.7 0 0.0 85 -0.9 10 36
81 A 81 GLU E G G >5TS+ 0 0 -58.3 -24.8 179.1 66.8 80.8 40.9 0 0.0 84 -0.7 0 0.0 0 0.0 8 39
82 A 82 LEU L G G <5TS+ 0 0 -71.6 -10.6 179.5 41.6 106.4 55.3 79 -2.1 162 -2.3 0 0.0 0 0.0 9 54
83 A 83 LEU L G G <5TS- 0 0 -112.4 -7.2 -179.6 -136.5 98.6 66.7 80 -2.7 0 0.0 0 0.0 0 0.0 12 48
84 A 84 ARG R T g X5T + 0 0 51.2 34.3 178.8 178.8 36.8 35.1 81 -0.7 87 -1.3 0 0.0 0 0.0 11 40
85 A 85 GLU E T T 3 < T - 0 0 -97.2 115.3 -179.1 -162.0 64.6 151.0 84 -1.3 91 -2.3 0 0.0 0 0.0 7 21
88 A 89 LEU L H H > TS+ 0 0 -60.7 -54.9 -179.4 45.6 87.5 16.9 86 -0.7 92 -2.3 0 0.0 0 0.0 7 18
89 A 90 GLU E H H > TS+ 0 0 -55.8 -47.4 -179.2 45.6 117.2 25.9 0 0.0 93 -1.3 0 0.0 0 0.0 6 21
90 A 91 GLU E H H > TS+ 0 0 -65.8 -43.9 179.4 50.9 110.9 27.4 0 0.0 94 -1.6 0 0.0 0 0.0 11 31
91 A 92 ALA A H H X TS+ 0 0 -62.5 -36.9 179.2 57.8 105.9 28.3 87 -2.3 95 -2.0 0 0.0 0 0.0 12 34
92 A 93 ALA A H H X TS+ 0 0 -59.6 -41.0 179.9 50.0 105.2 29.5 88 -2.3 96 -2.2 0 0.0 0 0.0 8 29
93 A 94 MET M H H X TS+ 0 0 -64.9 -43.7 179.4 54.1 106.7 26.2 89 -1.3 97 -2.5 0 0.0 0 0.0 10 38
94 A 95 VAL V H H X TS+ 0 0 -56.5 -45.7 178.5 46.6 111.2 21.7 90 -1.6 98 -1.9 0 0.0 0 0.0 15 45
95 A 96 ASP D H H X TS+ 0 0 -62.9 -44.4 179.7 55.3 108.7 24.8 91 -2.0 99 -1.9 0 0.0 0 0.0 9 44
96 A 97 VAL V H H X TS+ 0 0 -55.1 -45.0 -178.5 38.8 114.9 24.4 92 -2.2 100 -1.4 0 0.0 0 0.0 9 37
97 A 98 TRP W H H X TS+ 0 0 -81.8 -20.2 176.8 60.9 107.9 43.9 93 -2.5 101 -1.8 0 0.0 0 0.0 11 49
98 A 99 ILE I H H X TS+ 0 0 -70.7 -31.8 179.7 45.6 110.1 31.3 94 -1.9 102 -1.1 0 0.0 0 0.0 11 48
99 A 100 GLU E H H X TS+ 0 0 -78.0 -36.2 179.0 55.8 107.6 31.7 95 -1.9 103 -2.9 0 0.0 0 0.0 9 35
100 A 101 VAL V H H X >TS+ 0 0 -62.3 -43.2 178.8 55.8 103.2 25.2 96 -1.4 104 -2.2 0 0.0 105 -1.3 9 41
101 A 102 GLU E H H < >TS+ 0 0 -53.2 -46.6 -177.6 37.9 115.9 22.9 97 -1.8 106 -2.7 0 0.0 0 0.0 13 47
102 A 103 ALA A H H < 5TS+ 0 0 -74.1 -45.0 -177.2 33.9 126.2 24.5 98 -1.1 0 0.0 0 0.0 0 0.0 9 42
103 A 104 ASN N H H < 5TS+ 0 0 -93.4 -1.4 -178.0 17.4 134.4 63.8 99 -2.9 0 0.0 0 0.0 0 0.0 8 29
104 A 105 GLN Q T h X 5TS+ 0 0 -130.4 -65.8 -177.5 33.1 124.6 51.9 100 -2.2 108 -0.8 0 0.0 0 0.0 11 37
105 A 106 TYR Y H H > > 3 TS+ 0 0 -58.3 -43.7 -178.9 48.7 116.7 18.2 0 0.0 115 -2.0 0 0.0 0 0.0 11 40
112 A 113 ILE I H H X TS+ 0 0 -59.6 -57.5 -179.1 52.1 106.3 19.0 108 -0.7 116 -2.6 0 0.0 0 0.0 13 46
113 A 114 LEU L H H X >TS+ 0 0 -53.8 -29.8 179.4 50.1 111.8 37.8 109 -2.9 118 -1.3 0 0.0 117 -1.1 11 50
114 A 115 PHE F H H < >TS+ 0 0 -74.5 -52.2 -179.5 39.9 114.5 17.5 110 -1.5 119 -2.9 0 0.0 0 0.0 9 44
115 A 116 GLN Q H H < 5TS+ 0 0 -61.2 -53.0 -178.7 37.5 124.9 18.4 111 -2.0 0 0.0 0 0.0 0 0.0 15 35
116 A 117 VAL V H H < 5TS+ 0 0 -73.1 -24.7 -176.8 12.6 137.2 41.5 112 -2.6 0 0.0 0 0.0 0 0.0 12 39
117 A 118 LEU L T h X 5TS+ 0 0 -121.0 -59.2 -177.7 35.0 125.7 35.5 113 -1.1 121 -1.3 0 0.0 0 0.0 10 37
118 A 119 ILE I H H > XTS+ 0 0 -41.9 -57.2 179.9 48.6 108.0 28.7 114 -2.9 124 -2.4 0 0.0 122 -0.9 12 23
120 A 121 PRO P H H 4 >5TS+ 0 0 -56.4 -41.3 -179.7 51.2 110.2 28.3 0 0.0 123 -1.2 0 0.0 0 0.0 11 21
121 A 122 MET M H H < 35TS+ 0 0 -70.3 -20.5 178.3 56.9 104.4 42.7 117 -1.3 0 0.0 0 0.0 0 0.0 7 20
122 A 123 LEU L T h < <5TS- 0 0 -83.7 -6.6 179.7 -92.3 133.3 55.2 118 -1.4 0 0.0 119 -0.9 0 0.0 6 16
123 A 124 GLY G T T <5TS+ 0 0 107.1 14.8 179.9 113.6 90.6 55.2 120 -1.2 0 0.0 0 0.0 0 0.0 6 13
124 A 125 GLY G t T - 0 0 -93.6 102.4 -179.6 -168.5 12.7 146.7 0 0.0 131 -1.8 0 0.0 0 0.0 8 25
128 A 129 GLN Q H H > TS+ 0 0 -58.9 -33.2 -179.7 67.5 82.0 32.8 126 -1.0 132 -3.3 0 0.0 0 0.0 7 25
129 A 130 LYS K H H > TS+ 0 0 -49.7 -58.1 179.8 40.0 105.9 19.6 0 0.0 133 -1.7 0 0.0 0 0.0 6 20
130 A 131 VAL V H H > TS+ 0 0 -59.3 -45.7 179.8 52.2 115.5 26.4 0 0.0 134 -2.0 0 0.0 0 0.0 10 28
131 A 132 VAL V H H X TS+ 0 0 -59.4 -46.5 -179.1 52.6 107.4 22.5 127 -1.8 135 -1.8 0 0.0 0 0.0 12 35
132 A 133 ASP D H H X TS+ 0 0 -59.0 -45.4 -179.3 42.9 111.6 28.7 128 -3.3 136 -0.8 0 0.0 0 0.0 8 26
133 A 134 GLU E H H X TS+ 0 0 -72.7 -35.6 178.7 50.3 113.9 29.3 129 -1.7 137 -1.9 0 0.0 0 0.0 8 27
134 A 135 ASN N H H X TS+ 0 0 -71.3 -26.6 178.1 60.6 103.5 36.4 130 -2.0 138 -2.8 0 0.0 0 0.0 12 33
135 A 136 LEU L H H X TS+ 0 0 -68.0 -27.4 178.4 49.5 105.4 37.3 131 -1.8 139 -1.6 0 0.0 0 0.0 10 42
136 A 137 GLU E H H X TS+ 0 0 -74.9 -46.1 179.4 49.2 109.8 18.5 132 -0.8 140 -1.7 0 0.0 0 0.0 8 30
137 A 138 LYS K H H X TS+ 0 0 -55.6 -50.1 179.7 45.2 114.5 19.6 133 -1.9 141 -1.1 0 0.0 0 0.0 9 32
138 A 139 LEU L H H X TS+ 0 0 -60.6 -38.5 -179.5 63.3 105.6 31.0 134 -2.8 142 -2.5 0 0.0 0 0.0 12 43
139 A 140 LYS K H H X TS+ 0 0 -54.6 -43.7 -179.9 49.6 101.4 28.9 135 -1.6 143 -1.5 0 0.0 0 0.0 8 37
140 A 141 LYS K H H X TS+ 0 0 -67.8 -30.6 179.2 51.0 110.7 34.8 136 -1.7 144 -0.9 0 0.0 0 0.0 8 30
141 A 142 VAL V H H X TS+ 0 0 -72.1 -42.5 -179.8 52.7 107.0 27.7 137 -1.1 145 -2.1 0 0.0 0 0.0 10 39
142 A 143 LEU L H H X TS+ 0 0 -63.9 -32.0 177.2 60.7 101.2 34.5 138 -2.5 146 -2.6 0 0.0 0 0.0 11 47
143 A 144 GLU E H H X TS+ 0 0 -59.9 -39.5 179.1 44.8 108.5 28.2 139 -1.5 147 -1.5 0 0.0 0 0.0 9 31
144 A 145 VAL V H H X TS+ 0 0 -69.7 -46.3 178.0 50.2 112.0 26.5 140 -0.9 148 -2.6 0 0.0 0 0.0 8 36
145 A 146 TYR Y H H X TS+ 0 0 -58.9 -37.4 179.4 57.8 107.1 28.3 141 -2.1 149 -3.0 0 0.0 0 0.0 10 49
146 A 147 GLU E H H < TS+ 0 0 -58.5 -47.5 179.1 40.4 110.6 25.4 142 -2.6 0 0.0 0 0.0 0 0.0 12 36
147 A 148 ALA A H H X > TS+ 0 0 -68.9 -40.6 179.8 53.0 115.0 28.6 143 -1.5 151 -1.2 0 0.0 150 -0.7 8 29
148 A 149 ARG R H H X > TS+ 0 0 -59.3 -51.3 -178.8 45.9 110.7 17.0 144 -2.6 152 -2.0 0 0.0 151 -0.9 9 37
149 A 150 LEU L H H < 3 TS+ 0 0 -72.1 -8.1 176.6 63.8 103.9 59.6 145 -3.0 0 0.0 0 0.0 0 0.0 13 37
150 A 151 THR T H H 4 < TS+ 0 0 -80.8 -33.4 -178.9 33.1 113.7 35.0 147 -0.7 0 0.0 0 0.0 0 0.0 8 26
151 A 152 LYS K H H < < TS+ 0 0 -92.3 -28.7 -179.1 44.4 123.6 42.7 147 -1.2 0 0.0 148 -0.9 0 0.0 6 23
152 A 153 CYS C h < T - 0 0 -120.1 154.6 179.6 -135.6 69.7 148.9 148 -2.0 0 0.0 0 0.0 0 0.0 10 31
153 A 154 LYS K S S S+ 0 0 -70.0 -40.5 179.7 6.7 95.2 25.2 0 0.0 0 0.0 0 0.0 0 0.0 10 33
154 A 155 TYR Y S S S- 0 0 -128.1 -174.5 -178.9 -88.6 91.3 129.3 157 -2.0 0 0.0 0 0.0 0 0.0 11 49
155 A 156 LEU L S S S+ 0 0 -67.4 -51.2 -178.9 38.2 121.4 21.6 0 0.0 0 0.0 0 0.0 0 0.0 15 54
156 A 157 ALA A S S S- 0 0 -74.9 -19.3 -178.5 -73.9 131.2 46.6 0 0.0 0 0.0 0 0.0 0 0.0 15 45
157 A 158 GLY G S S S- 0 0 157.5 -152.1 -178.9 -26.0 84.8 166.7 0 0.0 154 -2.0 0 0.0 0 0.0 10 40
158 A 159 ASP D S S S+ 0 0 -79.5 20.3 -178.2 70.8 116.1 75.6 0 0.0 0 0.0 0 0.0 0 0.0 8 33
159 A 160 PHE F S S S- 0 0 -135.2 154.5 177.9 -105.7 86.6 155.0 0 0.0 0 0.0 0 0.0 0 0.0 7 36
160 A 161 LEU L + 0 0 -76.3 146.6 179.6 161.4 49.5 124.6 0 0.0 0 0.0 0 0.0 0 0.0 11 50
161 A 162 SER S h > > T - 0 0 -152.3 -179.5 179.2 -81.5 57.0 152.0 0 0.0 165 -1.4 0 0.0 164 -1.0 13 62
162 A 163 LEU L H H > 3 TS+ 0 0 -62.5 -24.4 179.1 70.0 120.4 41.8 82 -2.3 166 -2.1 0 0.0 0 0.0 13 62
163 A 164 ALA A H H 4 3 TS+ 0 0 -60.4 -39.5 -179.4 41.7 103.7 26.3 0 0.0 0 0.0 0 0.0 0 0.0 14 66
164 A 165 ASP D H H 4 X TS+ 0 0 -73.6 -52.9 179.9 47.6 113.9 17.8 161 -1.0 167 -1.8 0 0.0 0 0.0 11 71
165 A 166 LEU L H H < > TS+ 0 0 -58.6 -33.5 -179.2 69.8 99.8 36.8 161 -1.4 168 -1.8 0 0.0 0 0.0 11 74
166 A 167 ASN N T h < 3 TS+ 0 0 -62.3 -11.8 179.9 55.0 96.2 54.9 162 -2.1 0 0.0 0 0.0 0 0.0 13 67
167 A 168 HIS H T h > < TS+ 0 0 -97.6 -10.2 -176.0 80.9 87.2 59.4 164 -1.8 171 -1.6 0 0.0 0 0.0 11 71
168 A 169 VAL V H H > < TS+ 0 0 -67.2 -51.8 -178.1 55.9 81.8 15.7 165 -1.8 172 -3.3 0 0.0 0 0.0 11 68
169 A 170 SER S H H > TS+ 0 0 -50.5 -41.5 177.6 37.8 116.1 38.5 0 0.0 173 -0.9 0 0.0 0 0.0 14 62
170 A 171 VAL V H H > TS+ 0 0 -78.6 -35.2 -178.8 51.2 117.3 31.1 0 0.0 174 -2.1 0 0.0 0 0.0 10 61
171 A 172 THR T H H X TS+ 0 0 -71.1 -33.1 177.5 56.8 104.1 31.6 167 -1.6 175 -2.7 0 0.0 0 0.0 8 64
172 A 173 LEU L H H < TS+ 0 0 -62.0 -40.8 179.1 48.4 108.8 23.9 168 -3.3 0 0.0 0 0.0 0 0.0 9 59
173 A 174 CYS C H H < > TS+ 0 0 -63.4 -47.3 178.9 50.5 109.7 21.0 169 -0.9 176 -2.0 0 0.0 0 0.0 9 51
174 A 175 LEU L H H < > TS+ 0 0 -55.8 -40.8 -179.2 58.7 105.8 24.1 170 -2.1 177 -2.0 0 0.0 0 0.0 10 48
175 A 176 PHE F T h < 3 TS+ 0 0 -68.2 -6.4 178.6 62.8 95.8 61.6 171 -2.7 0 0.0 0 0.0 0 0.0 9 40
176 A 177 ALA A T G < TS+ 0 0 -95.4 -3.2 -178.9 65.1 100.3 61.6 173 -2.0 0 0.0 0 0.0 0 0.0 7 35
177 A 178 THR T S g X TS- 0 0 -115.5 167.8 -180.0 -103.7 96.6 134.8 174 -2.0 180 -1.5 0 0.0 0 0.0 9 33
178 A 179 PRO P G G > TS+ 0 0 -65.0 -10.6 179.8 78.1 109.8 51.8 0 0.0 181 -1.0 0 0.0 0 0.0 6 26
179 A 180 TYR Y G G > T + 0 0 -81.1 8.4 178.5 94.0 62.1 68.6 0 0.0 182 -1.5 0 0.0 0 0.0 7 39
180 A 181 ALA A G G X T + 0 0 -71.3 -13.3 179.9 78.5 68.6 49.0 177 -1.5 183 -1.2 0 0.0 0 0.0 10 36
181 A 182 SER S G G < TS+ 0 0 -72.1 -6.5 179.1 75.1 74.3 60.5 178 -1.0 0 0.0 0 0.0 0 0.0 7 30
182 A 183 VAL V G G X TS+ 0 0 -76.1 -26.1 179.6 57.3 89.8 37.0 179 -1.5 185 -0.9 0 0.0 0 0.0 7 43
183 A 184 LEU L G G X TS+ 0 0 -75.3 -22.0 -179.7 72.1 90.3 44.4 180 -1.2 186 -1.8 0 0.0 0 0.0 10 46
184 A 185 ASP D G G 3 TS+ 0 0 -65.0 -22.5 -179.9 63.0 88.5 41.2 0 0.0 0 0.0 0 0.0 0 0.0 8 27
185 A 186 ALA A G G < TS+ 0 0 -78.3 -6.4 -178.8 56.4 100.7 55.9 182 -0.9 0 0.0 0 0.0 0 0.0 6 29
186 A 187 TYR Y h > X T - 0 0 -130.5 83.6 -179.5 -172.8 67.9 136.2 183 -1.8 190 -2.6 0 0.0 189 -0.8 11 30
187 A 188 PRO P H H > 3 TS+ 0 0 -40.0 -49.7 -179.4 46.9 84.8 42.1 0 0.0 191 -2.6 0 0.0 0 0.0 9 29
188 A 189 HIS H H H > 3 TS+ 0 0 -70.4 -36.0 177.5 47.4 112.6 32.2 0 0.0 192 -2.3 0 0.0 0 0.0 9 34
189 A 190 VAL V H H > < TS+ 0 0 -69.0 -39.6 179.3 50.5 114.7 23.0 186 -0.8 193 -2.6 0 0.0 0 0.0 12 48
190 A 191 LYS K H H X TS+ 0 0 -61.4 -51.8 179.0 44.4 111.9 22.3 186 -2.6 194 -1.8 0 0.0 0 0.0 10 41
191 A 192 ALA A H H X TS+ 0 0 -57.5 -49.0 178.6 52.6 113.6 20.4 187 -2.6 195 -2.5 0 0.0 0 0.0 8 35
192 A 193 TRP W H H X TS+ 0 0 -52.0 -48.1 179.5 48.9 109.0 28.7 188 -2.3 196 -1.9 0 0.0 0 0.0 11 48
193 A 194 TRP W H H X TS+ 0 0 -65.0 -34.0 179.1 50.9 110.6 36.3 189 -2.6 197 -2.0 0 0.0 0 0.0 8 51
194 A 195 SER S H H X TS+ 0 0 -70.8 -40.9 179.8 53.7 106.9 25.8 190 -1.8 198 -0.8 0 0.0 0 0.0 8 35
195 A 196 GLY G H H X > TS+ 0 0 -58.1 -43.6 179.6 45.2 111.9 23.7 191 -2.5 198 -0.8 0 0.0 199 -0.6 8 32
196 A 197 LEU L H H < > TS+ 0 0 -66.4 -39.9 -178.9 62.2 104.8 27.1 192 -1.9 199 -1.2 0 0.0 0 0.0 9 45
197 A 198 MET M H H < 3 TS+ 0 0 -63.0 -15.7 178.7 61.2 96.1 50.9 193 -2.0 0 0.0 0 0.0 0 0.0 8 40
198 A 199 GLU E H H < < TS+ 0 0 -78.7 -32.3 -177.8 104.2 80.2 35.5 195 -0.8 0 0.0 194 -0.8 0 0.0 8 26
199 A 200 ARG R S h X < TS- 0 0 -55.7 133.7 179.7 -134.3 73.4 103.0 196 -1.2 203 -1.9 195 -0.6 0 0.0 8 34
200 A 201 PRO P H H > TS+ 0 0 -56.2 -38.6 179.4 58.9 105.5 31.9 0 0.0 204 -2.4 0 0.0 0 0.0 6 28
201 A 202 SER S H H > TS+ 0 0 -57.6 -43.5 180.0 45.3 108.5 25.6 0 0.0 205 -2.1 0 0.0 0 0.0 10 45
202 A 203 VAL V H H > TS+ 0 0 -67.6 -40.8 179.4 52.2 111.1 29.7 0 0.0 206 -2.7 0 0.0 0 0.0 12 45
203 A 204 GLN Q H H X TS+ 0 0 -64.4 -39.1 178.9 48.5 110.5 29.8 199 -1.9 207 -1.3 0 0.0 0 0.0 10 34
204 A 205 LYS K H H X TS+ 0 0 -65.8 -47.9 179.7 48.7 112.0 19.2 200 -2.4 208 -1.5 0 0.0 0 0.0 9 36
205 A 206 VAL V H H X > TS+ 0 0 -58.2 -44.9 179.3 51.2 110.0 24.8 201 -2.1 208 -0.6 0 0.0 209 -0.5 12 48
206 A 207 ALA A H H < > TS+ 0 0 -61.7 -31.2 179.7 53.7 108.7 34.5 202 -2.7 209 -0.8 0 0.0 0 0.0 9 43
207 A 208 ALA A H H < 3 TS+ 0 0 -73.0 -29.7 -179.8 66.1 95.9 39.8 203 -1.3 0 0.0 0 0.0 0 0.0 6 30
208 A 209 LEU L H H < < T 0 0 -66.1 -16.4 -179.5 999.9 999.9 48.8 204 -1.5 0 0.0 205 -0.6 0 0.0 6 37
209 A 210 MET M h < < T 0 0 -100.3 999.9 999.9 999.9 999.9 147.4 206 -0.8 0 0.0 205 -0.5 0 0.0 6 35
1axdA.pdb
1AXD COMPLEX (TRANSFERASE/LIGAND) MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEES TT TTHHHHHHHHHHHT EEEE TTTTGGGSHHHHTT TT S EEEETTEEEESHHHHHHHHHHHH GGGGTTT HHHHHHHHHHHHH Kabs/Sand
chirality ----+--++-++++++++++++-+-+-------++-++++-++++++-+-+-++--+--+-+++-++++++++++++++++-+++-+++++++++++++ chirality
bends S SS SSSSSSSSSSSSS SSS SSSSSSSSS SS S SSS SSSSSSSSSSSSS SSS S SSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555<>5555< > 5-turns
3-turns >33X33< >33X>3<< >33<>33< >33< >33< >>><4>>X>XXXXX<<<< >>4><<4< >>>>XXXXXX<<<< >>>>XXXXXXXXXX 4-turns
summary EEEEetTTtThHHHHHHHHHHHhteEEEE tTTTgGGGhHHHHhTtTTt SeEEEETTEEEEhHHHHHHHHHHHHhGGGGgTThHHHHHHHHHHHHH summary
sequence APMKLYGAVMSWNLTRCATALEEAGSDYEIVPINFATAEHKSPEHLVRNPFGQVPALQDGDLYLFESRAICKYAARKNKPELLREGNLEEAAMVDVWIEV sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHTHHHHHHHHHHHHTHHHHTT HHHHHHHHHHHHHHHHHHHHHHHH SSSSSSS HHHHTTHHHHHHHTTSGGGGGGGG HHHHHHHHHHHHSH Kabs/Sand
chirality +++++++++++++++++++++-+----++++++++++++++++++++++++-+-+--+-+-+++++++++++++++-++++++++-++++++++++++-+ chirality
bends SSSSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSS SSSSSSS SSSSSSSSSSSSSSSSS SSSSS SSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >555<< >>55533< >>3<< >>3<< >33X>3<< >>3>X>3<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns <<>4XXX>XX<<44<< >>>>XXXXXXXXXXXXXXX>44<<>>>>X<<<< >>>>XXXXXX<< 4-turns
summary HHHhHHHHHHHHHHHHhHHHHhTt hHHHHHHHHHHHHHHHHHHHHHHHHhSSSSSSS hHHHHhhHHHHHHHhGgGGGGGGGGhHHHHHHHHHHHHhH summary
sequence EANQYTAALNPILFQVLISPMLGGTTDQKVVDENLEKLKKVLEVYEARLTKCKYLAGDFLSLADLNHVSVTLCLFATPYASVLDAYPHVKAWWSGLMERP sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHH Kabs/Sand
chirality +++++++ chirality
bends SSSSSSS bends
turns TTTTTTTTT turns
5-turns 5-turns
3-turns >>3<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>XXX<<<< 4-turns
summary HHHHHHHHh summary
sequence SVQKVAALM sequence