Secondary structure calculation program - copyright by David Keith Smith, 1989
1e4yA.pdb
1E4Y TRANSFERASE(PHOSPHOTRANSFERASE) MOL_ID: 1; MOL_ID: 1;
Sequence length - 214
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 e 0 0 999.9 154.8 178.9 999.9 999.9 999.9 0 0.0 81 -1.0 0 0.0 0 0.0 8 38
2 A 2 ARG R E E Aa + 81 0 -126.9 136.4 -173.1 173.8 999.9 173.0 0 0.0 104 -1.6 0 0.0 105 -1.3 10 52
3 A 3 ILE I E E Aab - 82 105 -140.6 137.2 172.5 -151.7 20.5 173.3 81 -1.2 83 -2.4 0 0.0 0 0.0 12 63
4 A 4 ILE I E E Aab - 83 106 -107.5 135.4 173.4 -154.0 10.6 157.3 105 -2.0 107 -2.4 0 0.0 6 -0.6 12 69
5 A 5 LEU L E E Aab + 84 107 -105.1 121.8 178.8 174.0 22.3 165.7 83 -1.5 85 -0.8 0 0.0 0 0.0 14 69
6 A 6 LEU L E E A b + 0 108 -118.3 162.2 174.4 126.0 13.8 150.1 107 -3.3 109 -1.9 4 -0.6 0 0.0 12 62
7 A 7 GLY G E E A b - 0 109 165.4 170.1 175.0 -68.2 54.8 160.2 0 0.0 0 0.0 0 0.0 0 0.0 10 61
8 A 8 ALA A S e > TS- 0 0 -73.6 168.2 178.1 -70.4 71.1 112.8 109 -1.5 11 -1.7 0 0.0 0 0.0 9 55
9 A 9 LEU L T T 3 TS+ 0 0 -57.8 137.7 174.9 2.7 118.1 101.9 0 0.0 0 0.0 0 0.0 0 0.0 7 62
10 A 10 VAL V T T 3 TS+ 0 0 68.8 -6.4 179.7 134.5 85.9 67.9 0 0.0 0 0.0 0 0.0 0 0.0 10 61
11 A 11 ALA A S t < TS- 0 0 -53.4 -8.8 177.7 -98.8 81.2 60.4 8 -1.7 0 0.0 0 0.0 0 0.0 13 55
12 A 12 GLY G S h > TS+ 0 0 102.9 16.3 -179.5 136.6 77.8 46.0 0 0.0 16 -1.2 0 0.0 0 0.0 8 63
13 A 13 LYS K H H > > TS+ 0 0 -59.6 -60.9 -178.8 43.1 76.4 12.7 0 0.0 17 -1.8 0 0.0 16 -0.8 12 63
14 A 14 GLY G H H > 3 TS+ 0 0 -58.3 -37.5 176.4 60.6 106.9 35.2 0 0.0 18 -1.1 0 0.0 0 0.0 9 58
15 A 15 THR T H H > 3 TS+ 0 0 -61.6 -30.5 178.7 38.8 113.7 26.6 0 0.0 19 -0.6 0 0.0 0 0.0 8 62
16 A 16 GLN Q H H X < TS+ 0 0 -87.3 -25.2 -175.9 78.6 95.9 37.4 12 -1.2 20 -2.1 13 -0.8 0 0.0 10 62
17 A 17 ALA A H H X TS+ 0 0 -52.2 -36.5 176.2 57.4 92.6 24.9 13 -1.8 21 -2.2 0 0.0 0 0.0 12 58
18 A 18 GLN Q H H X TS+ 0 0 -54.4 -57.3 -176.7 46.2 105.6 19.6 14 -1.1 22 -2.4 0 0.0 0 0.0 9 39
19 A 19 PHE F H H X TS+ 0 0 -56.5 -46.5 -177.2 47.6 113.6 25.4 15 -0.6 23 -2.6 0 0.0 0 0.0 9 40
20 A 20 ILE I H H X TS+ 0 0 -65.8 -32.4 177.1 58.8 108.4 29.8 16 -2.1 24 -2.0 0 0.0 0 0.0 10 47
21 A 21 MET M H H < >TS+ 0 0 -63.6 -51.9 177.9 32.0 115.1 21.0 17 -2.2 26 -0.8 0 0.0 0 0.0 12 38
22 A 22 GLU E H H < >5TS+ 0 0 -70.4 -54.9 -173.8 49.0 120.2 9.6 18 -2.4 25 -1.2 0 0.0 0 0.0 8 29
23 A 23 LYS K H H < 35TS+ 0 0 -51.5 -50.1 -173.1 26.1 126.2 22.2 19 -2.6 0 0.0 0 0.0 0 0.0 6 29
24 A 24 TYR Y T h < 35TS- 0 0 -101.2 9.5 -179.2 -127.4 105.4 66.7 20 -2.0 0 0.0 0 0.0 0 0.0 6 34
25 A 25 GLY G T T <5T + 0 0 52.0 49.2 -174.6 135.2 57.2 36.8 22 -1.2 0 0.0 0 0.0 0 0.0 7 28
26 A 26 ILE I t Ac T - 84 0 -99.0 107.7 179.5 -170.9 17.7 152.4 28 -0.8 34 -1.8 0 0.0 0 0.0 11 52
31 A 31 THR T H H > TS+ 0 0 -66.9 -31.1 176.8 57.8 91.4 32.1 84 -1.4 35 -2.3 29 -0.7 0 0.0 11 51
32 A 32 GLY G H H > TS+ 0 0 -56.6 -56.3 -179.3 41.8 109.2 10.2 84 -0.6 36 -2.7 0 0.0 0 0.0 8 64
33 A 33 ASP D H H > TS+ 0 0 -62.7 -34.0 178.3 51.3 114.7 40.3 0 0.0 37 -1.2 0 0.0 0 0.0 8 51
34 A 34 MET M H H X TS+ 0 0 -74.7 -39.1 178.8 45.8 110.9 30.5 30 -1.8 38 -2.0 0 0.0 0 0.0 8 47
35 A 35 LEU L H H X TS+ 0 0 -69.5 -42.4 173.6 49.4 115.3 16.6 31 -2.3 39 -1.9 0 0.0 0 0.0 12 53
36 A 36 ARG R H H X TS+ 0 0 -60.8 -32.4 176.6 49.1 111.7 39.8 32 -2.7 40 -2.0 0 0.0 0 0.0 10 49
37 A 37 ALA A H H < TS+ 0 0 -75.4 -36.4 178.0 52.3 108.1 35.1 33 -1.2 0 0.0 0 0.0 0 0.0 9 36
38 A 38 ALA A H H < >>TS+ 0 0 -65.4 -35.3 179.0 52.9 109.4 31.4 34 -2.0 43 -1.9 0 0.0 41 -0.6 12 37
39 A 39 VAL V H H < >5TS+ 0 0 -66.8 -53.1 -177.0 48.5 106.9 12.4 35 -1.9 42 -1.8 0 0.0 0 0.0 13 32
40 A 40 LYS K T h < 35TS+ 0 0 -76.8 10.0 172.2 50.1 112.3 63.9 36 -2.0 0 0.0 0 0.0 0 0.0 8 30
41 A 41 SER S T T <5TS- 0 0 -116.6 0.3 177.8 -122.5 106.2 66.6 38 -0.6 0 0.0 0 0.0 0 0.0 7 20
42 A 42 GLY G T T <5T + 0 0 65.1 29.1 177.0 160.9 53.8 35.2 39 -1.8 0 0.0 0 0.0 0 0.0 9 17
43 A 43 SER S h > > TS+ 0 0 -58.0 -45.2 178.1 50.6 123.9 21.7 0 0.0 47 -2.4 0 0.0 48 -1.2 7 23
45 A 45 LEU L H H > 3 TS+ 0 0 -56.9 -43.4 175.4 64.3 102.0 24.5 0 0.0 49 -2.7 0 0.0 0 0.0 10 34
46 A 46 GLY G H H > 3 TS+ 0 0 -55.9 -19.2 171.7 53.5 99.1 47.4 0 0.0 50 -0.8 0 0.0 0 0.0 15 30
47 A 47 LYS K H H X < TS+ 0 0 -81.6 -42.2 175.4 40.9 113.6 24.2 44 -2.4 51 -0.5 43 -0.7 0 0.0 10 25
48 A 48 GLN Q H H X TS+ 0 0 -62.2 -55.8 -170.7 47.4 116.8 12.2 44 -1.2 52 -0.8 0 0.0 0 0.0 8 33
49 A 49 ALA A H H X TS+ 0 0 -61.8 -37.3 -172.8 69.8 94.0 36.7 45 -2.7 53 -3.0 0 0.0 0 0.0 11 38
50 A 50 LYS K H H X TS+ 0 0 -57.9 -41.4 -179.6 45.7 99.1 33.8 46 -0.8 54 -2.4 0 0.0 0 0.0 11 36
51 A 51 ASP D H H X TS+ 0 0 -71.4 -31.8 -177.9 46.8 117.0 26.5 47 -0.5 55 -1.0 0 0.0 0 0.0 8 32
52 A 52 ILE I H H < >>TS+ 0 0 -71.7 -47.3 -178.8 47.4 113.9 12.5 48 -0.8 57 -1.2 0 0.0 55 -0.9 11 34
53 A 53 MET M H H < >5TS+ 0 0 -52.5 -52.5 175.2 49.9 111.6 27.2 49 -3.0 56 -1.6 0 0.0 0 0.0 11 46
54 A 54 ASP D H H < 35TS+ 0 0 -53.8 -36.4 -177.2 56.2 107.6 42.0 50 -2.4 0 0.0 0 0.0 0 0.0 10 38
55 A 55 ALA A T h < <5TS- 0 0 -81.8 -5.3 -174.6 -115.7 111.4 62.5 51 -1.0 0 0.0 52 -0.9 0 0.0 9 32
56 A 56 GLY G T T <5TS+ 0 0 83.3 -12.6 -179.5 132.0 74.7 73.7 53 -1.6 0 0.0 0 0.0 0 0.0 12 40
57 A 57 LYS K t > T - 0 0 -55.5 135.4 179.9 -135.2 30.4 110.1 0 0.0 64 -1.6 0 0.0 63 -0.7 6 39
61 A 61 ASP D H H > > TS+ 0 0 -56.5 -58.0 179.6 58.4 103.3 15.4 0 0.0 65 -2.6 0 0.0 64 -1.0 9 35
62 A 62 GLU E H H > 3 TS+ 0 0 -41.2 -33.2 179.3 42.8 113.5 46.2 0 0.0 66 -0.6 0 0.0 0 0.0 6 29
63 A 63 LEU L H H > < TS+ 0 0 -83.7 -43.6 -180.0 45.1 112.7 45.1 60 -0.7 67 -1.2 0 0.0 0 0.0 8 39
64 A 64 VAL V H H X < TS+ 0 0 -79.0 -36.4 178.5 55.1 110.3 32.8 60 -1.6 68 -2.6 61 -1.0 0 0.0 10 49
65 A 65 ILE I H H X TS+ 0 0 -62.8 -40.4 177.2 50.8 109.8 18.4 61 -2.6 69 -2.3 0 0.0 0 0.0 10 42
66 A 66 ALA A H H X TS+ 0 0 -57.2 -44.9 177.1 48.2 109.5 27.4 62 -0.6 70 -1.5 0 0.0 0 0.0 8 37
67 A 67 LEU L H H X TS+ 0 0 -58.8 -56.4 -172.4 47.5 113.8 15.1 63 -1.2 71 -1.4 0 0.0 0 0.0 8 42
68 A 68 VAL V H H X TS+ 0 0 -68.5 -29.5 174.3 53.4 107.8 39.1 64 -2.6 72 -2.2 0 0.0 0 0.0 10 53
69 A 69 LYS K H H X TS+ 0 0 -68.8 -36.3 175.5 52.9 107.5 28.5 65 -2.3 73 -1.2 0 0.0 0 0.0 8 41
70 A 70 GLU E H H < TS+ 0 0 -60.4 -40.5 -177.6 44.6 113.2 29.6 66 -1.5 0 0.0 0 0.0 0 0.0 8 31
71 A 71 ARG R H H < > TS+ 0 0 -76.2 -50.5 172.2 51.4 107.9 20.5 67 -1.4 74 -2.2 0 0.0 0 0.0 9 38
72 A 72 ILE I H H < 3 TS+ 0 0 -48.9 -35.5 177.8 66.9 104.7 36.7 68 -2.2 0 0.0 0 0.0 0 0.0 10 41
73 A 73 ALA A T h < 3 TS+ 0 0 -64.1 -10.6 -179.0 100.1 79.8 59.7 69 -1.2 0 0.0 0 0.0 0 0.0 8 27
74 A 74 GLN Q S t X TS- 0 0 -88.6 145.8 -175.0 -107.5 88.9 134.6 71 -2.2 77 -2.2 0 0.0 0 0.0 8 20
75 A 75 GLU E T T 3 TS+ 0 0 -48.8 -9.4 178.7 60.2 113.6 63.0 0 0.0 0 0.0 0 0.0 0 0.0 5 18
76 A 76 ASP D T g > TS+ 0 0 -94.5 -23.3 170.7 57.6 95.8 35.5 0 0.0 79 -1.0 0 0.0 0 0.0 9 25
77 A 77 CYS C G G X TS+ 0 0 -77.7 4.6 170.8 107.9 81.1 63.5 74 -2.2 80 -0.7 0 0.0 0 0.0 12 33
78 A 78 ARG R G G 3 TS+ 0 0 -44.3 -43.5 -178.1 29.1 85.3 38.4 0 0.0 0 0.0 0 0.0 0 0.0 8 27
79 A 79 ASN N G G < TS- 0 0 -112.4 12.1 176.9 -61.6 132.4 68.2 76 -1.0 0 0.0 0 0.0 0 0.0 7 29
80 A 80 GLY G g < T - 0 0 134.7 -179.8 -175.2 -150.8 46.1 140.4 77 -0.7 0 0.0 0 0.0 0 0.0 10 38
81 A 81 PHE F E E Aa - 2 0 -167.4 171.3 170.5 -122.0 17.9 153.0 1 -1.0 3 -1.2 0 0.0 0 0.0 13 50
82 A 82 LEU L E E Aac - 3 28 -132.0 128.9 -175.4 -141.3 22.8 177.0 27 -2.3 29 -3.2 0 0.0 0 0.0 14 59
83 A 83 LEU L E E Aac - 4 29 -92.9 133.8 179.9 -173.3 16.1 139.1 3 -2.4 5 -1.5 0 0.0 0 0.0 13 66
84 A 84 ASP D E E Aac S+ 5 30 -126.3 96.3 172.3 1.0 77.9 157.1 29 -3.4 31 -1.4 0 0.0 32 -0.6 15 60
85 A 85 GLY G S e S+ 0 0 105.4 5.1 172.2 125.4 97.3 55.8 5 -0.8 0 0.0 0 0.0 0 0.0 11 65
86 A 86 PHE F + 0 0 -127.7 131.5 -13.2 41.7 60.2 170.8 0 0.0 0 0.0 0 0.0 0 0.0 11 67
87 A 87 PRO P + 0 0 -76.2 152.9 177.4 155.2 60.6 50.9 0 0.0 0 0.0 0 0.0 0 0.0 10 65
88 A 88 ARG R + 0 0 -122.2 10.3 179.5 29.3 68.7 76.4 0 0.0 0 0.0 0 0.0 0 0.0 10 58
89 A 89 THR T S h > > TS- 0 0 -163.1 149.6 -180.0 -107.9 86.1 162.5 0 0.0 93 -1.7 0 0.0 92 -1.5 11 46
90 A 90 ILE I H H > 3 TS+ 0 0 -55.7 -41.3 164.2 64.2 119.3 25.3 174 -0.6 94 -2.8 0 0.0 0 0.0 12 39
91 A 91 PRO P H H > 3 TS+ 0 0 -38.5 -45.6 178.1 44.8 103.7 33.7 0 0.0 95 -1.2 0 0.0 0 0.0 7 35
92 A 92 GLN Q H H > < TS+ 0 0 -72.6 -34.5 -179.4 50.6 113.7 28.4 89 -1.5 96 -1.5 0 0.0 0 0.0 12 44
93 A 93 ALA A H H X TS+ 0 0 -71.7 -40.9 176.6 46.6 111.3 27.6 89 -1.7 97 -2.4 0 0.0 0 0.0 12 50
94 A 94 ASP D H H X TS+ 0 0 -70.8 -31.0 176.4 54.4 109.4 41.9 90 -2.8 98 -2.8 0 0.0 0 0.0 8 37
95 A 95 ALA A H H X TS+ 0 0 -68.3 -38.5 176.8 46.7 109.9 30.3 91 -1.2 99 -2.2 0 0.0 0 0.0 9 32
96 A 96 MET M H H X >TS+ 0 0 -68.3 -49.2 175.5 47.8 114.6 13.8 92 -1.5 101 -1.8 0 0.0 100 -0.6 10 45
97 A 97 LYS K H H < >5TS+ 0 0 -54.8 -50.4 178.3 49.4 111.9 22.7 93 -2.4 100 -1.7 0 0.0 0 0.0 9 36
98 A 98 GLU E H H < 35TS+ 0 0 -58.1 -35.9 175.3 57.7 106.0 33.9 94 -2.8 0 0.0 0 0.0 0 0.0 7 19
99 A 99 ALA A H H < 35TS- 0 0 -68.2 -14.8 -179.7 -112.4 119.3 52.9 95 -2.2 0 0.0 0 0.0 0 0.0 6 22
100 A 100 GLY G T h < <5T + 0 0 88.7 21.3 178.3 145.2 66.6 45.0 97 -1.7 102 -0.9 96 -0.6 0 0.0 6 20
101 A 101 ILE I t > T - 0 0 -70.7 132.5 -179.8 -110.0 38.0 126.7 0 0.0 115 -2.5 0 0.0 116 -0.5 6 27
113 A 113 ASP D T T 4 3 TS+ 0 0 -35.0 -25.9 176.0 69.5 112.8 55.7 0 0.0 0 0.0 0 0.0 0 0.0 5 29
114 A 114 GLU E T h > 3 TS+ 0 0 -64.9 -40.3 179.2 49.8 99.3 24.3 0 0.0 118 -0.6 0 0.0 0 0.0 6 22
115 A 115 LEU L H H > < TS+ 0 0 -68.3 -27.7 -168.8 82.9 89.6 32.2 112 -2.5 119 -2.5 0 0.0 0 0.0 8 33
116 A 116 ILE I H H X TS+ 0 0 -55.0 -44.3 -178.7 41.6 92.6 40.0 112 -0.5 120 -1.7 0 0.0 0 0.0 13 42
117 A 117 VAL V H H > TS+ 0 0 -75.6 -30.2 178.2 49.0 118.0 25.5 0 0.0 121 -2.5 0 0.0 0 0.0 11 41
118 A 118 ASP D H H X TS+ 0 0 -71.5 -40.5 179.4 53.5 108.7 24.9 114 -0.6 122 -1.5 0 0.0 0 0.0 8 37
119 A 119 ARG R H H < TS+ 0 0 -54.6 -48.2 -175.8 36.8 117.0 18.5 115 -2.5 0 0.0 0 0.0 0 0.0 11 50
120 A 120 ILE I H H < > TS+ 0 0 -76.8 -49.0 -169.3 54.1 112.4 22.1 116 -1.7 123 -1.6 0 0.0 0 0.0 11 52
121 A 121 VAL V H H < 3 TS+ 0 0 -72.8 -22.7 173.2 48.8 107.9 36.2 117 -2.5 0 0.0 0 0.0 0 0.0 10 41
122 A 122 GLY G T h < 3 TS+ 0 0 -92.1 31.9 -172.9 120.6 88.2 87.3 118 -1.5 135 -3.1 0 0.0 124 -0.7 9 39
123 A 123 ARG R E E BE < T - 134 0 -113.5 120.2 179.8 -172.8 40.9 150.3 120 -1.6 0 0.0 0 0.0 0 0.0 12 46
124 A 124 ARG R E E BE - 133 0 -105.2 144.7 -172.3 -155.7 7.1 145.5 133 -1.1 133 -2.9 122 -0.7 0 0.0 12 47
125 A 125 VAL V E E BEA - 132 154 -125.3 133.3 170.3 -135.7 21.2 158.8 154 -2.5 154 -3.2 0 0.0 127 -1.3 12 50
126 A 126 HIS H E E >BE >T - 131 0 -91.2 102.8 -175.7 -148.1 36.0 148.8 131 -3.3 130 -1.3 0 0.0 131 -1.3 13 40
127 A 127 ALA A T T 4 >5TS+ 0 0 -45.1 -79.1 177.4 46.3 80.3 31.3 125 -1.3 130 -1.9 0 0.0 0 0.0 8 38
128 A 128 PRO P T T 4 35TS+ 0 0 -33.3 -39.7 -170.6 33.4 123.5 49.2 0 0.0 0 0.0 0 0.0 0 0.0 4 32
129 A 129 SER S T T 4 35TS- 0 0 -100.6 -15.7 -176.4 -125.4 100.5 57.0 0 0.0 0 0.0 0 0.0 0 0.0 5 37
130 A 130 GLY G T T < <5T + 0 0 73.3 24.1 -174.1 166.1 48.3 53.1 127 -1.9 0 0.0 126 -1.3 0 0.0 8 46
131 A 131 ARG R E E BE BEB T - 123 138 -130.9 130.4 -176.9 -135.4 17.7 176.7 138 -2.5 138 -1.6 0 0.0 0 0.0 11 48
135 A 135 VAL V T e 4 TS+ 0 0 -56.6 -36.5 -177.6 17.2 101.2 35.7 122 -3.1 0 0.0 0 0.0 0 0.0 10 34
136 A 136 LYS K T T 4 TS+ 0 0 -104.9 -30.9 -165.9 40.5 131.6 44.2 0 0.0 0 0.0 0 0.0 0 0.0 6 29
137 A 137 PHE F T T 4 TS+ 0 0 -108.7 -10.5 -177.8 8.7 131.6 56.9 0 0.0 0 0.0 0 0.0 0 0.0 6 33
138 A 138 ASN N B B < B TS- 134 0 -163.6 67.7 -171.7 -176.2 86.3 117.3 134 -1.6 134 -2.5 0 0.0 0 0.0 7 42
139 A 139 PRO P - 0 0 -82.4 155.4 169.1 -106.5 29.3 115.2 0 0.0 0 0.0 0 0.0 0 0.0 9 35
140 A 140 PRO P - 0 0 -63.0 162.4 -178.0 -117.1 32.5 109.2 0 0.0 0 0.0 0 0.0 0 0.0 11 33
141 A 141 LYS K S S S+ 0 0 -77.7 -25.3 176.9 39.2 108.5 40.3 0 0.0 0 0.0 0 0.0 0 0.0 7 25
142 A 142 VAL V S t > TS- 0 0 -123.5 125.1 -178.0 -109.5 105.9 179.3 0 0.0 145 -1.4 0 0.0 0 0.0 7 23
143 A 143 GLU E T T 3 TS+ 0 0 -61.0 122.9 174.1 5.4 97.8 107.5 0 0.0 0 0.0 0 0.0 0 0.0 7 28
144 A 144 GLY G T T 3 TS+ 0 0 96.2 -18.9 -173.5 98.3 111.8 83.5 0 0.0 153 -2.4 0 0.0 0 0.0 7 29
145 A 145 LYS K B B C < TS- 152 0 -109.6 147.8 176.9 -117.1 75.5 133.0 142 -1.4 0 0.0 0 0.0 0 0.0 11 30
146 A 146 ASP D t > T - 0 0 -78.9 146.6 -177.3 -125.8 21.5 130.1 151 -1.5 150 -1.3 0 0.0 0 0.0 15 30
147 A 147 ASP D T T 4 TS+ 0 0 -66.0 -26.3 -178.1 30.7 100.1 46.5 0 0.0 0 0.0 0 0.0 0 0.0 8 28
148 A 148 VAL V T T 4 TS+ 0 0 -104.2 -48.6 179.5 25.9 129.2 34.3 0 0.0 0 0.0 0 0.0 0 0.0 4 23
149 A 149 THR T T T 4 TS- 0 0 -93.2 -4.2 -170.6 -129.8 89.1 58.2 0 0.0 0 0.0 0 0.0 0 0.0 5 23
150 A 150 GLY G t < T + 0 0 66.3 0.6 -175.6 139.1 63.0 65.3 146 -1.3 0 0.0 0 0.0 0 0.0 7 25
151 A 151 GLU E - 0 0 -83.1 142.4 176.2 -92.7 61.9 120.9 0 0.0 146 -1.5 0 0.0 0 0.0 7 25
152 A 152 GLU E B B C - 145 0 -49.7 142.1 178.2 -130.7 36.0 95.8 0 0.0 0 0.0 0 0.0 0 0.0 8 30
153 A 153 LEU L - 0 0 -91.7 153.8 174.3 -157.5 24.6 127.4 144 -2.4 0 0.0 0 0.0 0 0.0 11 35
154 A 154 THR T B B A - 125 0 -122.1 -178.0 178.6 -118.6 13.2 129.1 125 -3.2 125 -2.5 0 0.0 0 0.0 8 37
155 A 155 THR T - 0 0 -127.7 135.1 178.4 -121.5 28.4 174.4 0 0.0 0 0.0 0 0.0 0 0.0 8 43
156 A 156 ARG R g > T - 0 0 -72.6 151.8 -179.9 -133.8 10.1 113.5 0 0.0 159 -0.8 0 0.0 0 0.0 8 46
157 A 157 LYS K G G > TS+ 0 0 -77.3 -26.2 174.4 52.9 112.2 33.2 0 0.0 160 -0.9 0 0.0 0 0.0 7 38
158 A 158 ASP D G G 3 TS+ 0 0 -83.7 -5.9 172.1 66.1 97.9 54.5 0 0.0 0 0.0 0 0.0 0 0.0 10 46
159 A 159 ASP D G G < TS+ 0 0 -93.8 26.6 178.7 115.8 75.7 88.1 156 -0.8 0 0.0 0 0.0 0 0.0 11 46
160 A 160 GLN Q S h > X TS- 0 0 -94.5 133.8 -172.6 -113.8 80.5 145.5 157 -0.9 164 -1.6 0 0.0 163 -1.5 9 32
161 A 161 GLU E H H > 3 TS+ 0 0 -42.6 -46.3 175.8 47.1 110.5 48.5 0 0.0 165 -2.0 0 0.0 0 0.0 8 31
162 A 162 GLU E H H > 3 TS+ 0 0 -73.7 -22.9 169.5 50.0 112.9 39.2 0 0.0 166 -1.5 0 0.0 0 0.0 6 27
163 A 163 THR T H H > < TS+ 0 0 -70.8 -41.1 179.1 57.0 106.3 20.7 160 -1.5 167 -2.1 0 0.0 0 0.0 13 35
164 A 164 VAL V H H X TS+ 0 0 -54.5 -47.0 179.0 50.9 106.6 22.6 160 -1.6 168 -2.2 0 0.0 0 0.0 14 39
165 A 165 ARG R H H X TS+ 0 0 -60.9 -41.8 175.6 48.7 109.1 25.6 161 -2.0 169 -1.2 0 0.0 0 0.0 9 34
166 A 166 LYS K H H X TS+ 0 0 -63.5 -31.9 176.6 52.9 110.7 35.0 162 -1.5 170 -1.8 0 0.0 0 0.0 11 33
167 A 167 ARG R H H X TS+ 0 0 -68.2 -43.2 -178.8 57.4 102.8 25.2 163 -2.1 171 -3.2 0 0.0 0 0.0 10 45
168 A 168 LEU L H H X TS+ 0 0 -61.5 -35.1 177.0 46.1 108.3 30.6 164 -2.2 172 -1.9 0 0.0 0 0.0 9 44
169 A 169 VAL V H H X TS+ 0 0 -68.5 -52.8 179.4 46.9 113.6 7.2 165 -1.2 173 -1.8 0 0.0 0 0.0 8 28
170 A 170 GLU E H H X TS+ 0 0 -53.2 -45.2 177.1 53.6 112.9 24.8 166 -1.8 174 -3.2 0 0.0 0 0.0 12 35
171 A 171 TYR Y H H X >TS+ 0 0 -54.6 -52.1 -175.8 51.6 105.1 19.7 167 -3.2 176 -2.6 0 0.0 175 -1.1 9 44
172 A 172 HIS H H H < 5TS+ 0 0 -59.4 -31.6 -177.2 35.1 120.2 32.1 168 -1.9 0 0.0 0 0.0 0 0.0 9 33
173 A 173 GLN Q H H < 5TS+ 0 0 -88.8 -39.0 -168.4 27.6 129.8 32.8 169 -1.8 0 0.0 0 0.0 0 0.0 8 27
174 A 174 MET M H H < 5TS+ 0 0 -88.5 -60.5 -172.0 23.6 128.9 19.1 170 -3.2 90 -0.6 0 0.0 0 0.0 10 35
175 A 175 THR T T h < >5TS+ 0 0 -89.8 -31.2 -175.1 78.3 101.9 45.9 171 -1.1 178 -2.0 0 0.0 0 0.0 12 45
176 A 176 ALA A T h > > 3 TS+ 0 0 -60.0 -21.9 179.9 75.6 85.3 40.9 0 0.0 181 -2.1 0 0.0 0 0.0 11 30
178 A 178 LEU L H H > < TS+ 0 0 -68.2 -18.7 173.4 61.6 85.3 45.4 175 -2.0 182 -2.7 0 0.0 0 0.0 12 48
179 A 179 ILE I H H > < TS+ 0 0 -66.3 -48.8 172.7 43.8 108.6 18.2 176 -1.6 183 -2.4 0 0.0 0 0.0 9 45
180 A 180 GLY G H H X TS+ 0 0 -55.4 -47.6 177.6 53.9 114.1 18.1 176 -0.6 184 -2.7 0 0.0 0 0.0 8 38
181 A 181 TYR Y H H X TS+ 0 0 -50.5 -60.4 -175.3 39.3 111.7 18.3 177 -2.1 185 -1.5 0 0.0 0 0.0 9 44
182 A 182 TYR Y H H X TS+ 0 0 -71.7 -25.5 175.2 58.7 112.6 30.5 178 -2.7 186 -2.2 0 0.0 0 0.0 11 48
183 A 183 SER S H H X TS+ 0 0 -69.5 -44.3 170.9 49.8 104.5 16.5 179 -2.4 187 -2.4 0 0.0 0 0.0 9 36
184 A 184 LYS K H H X TS+ 0 0 -50.3 -40.9 -178.2 48.5 113.6 29.5 180 -2.7 188 -3.1 0 0.0 0 0.0 8 28
185 A 185 GLU E H H < >TS+ 0 0 -69.3 -44.3 176.9 49.8 108.9 30.0 181 -1.5 190 -1.9 0 0.0 0 0.0 10 34
186 A 186 ALA A H H < >5TS+ 0 0 -63.4 -34.1 175.9 50.2 113.1 29.6 182 -2.2 189 -0.8 0 0.0 0 0.0 11 30
187 A 187 GLU E H H < 35TS+ 0 0 -68.2 -49.4 -178.2 56.5 104.5 7.9 183 -2.4 0 0.0 0 0.0 0 0.0 7 21
188 A 188 ALA A T h < 35TS- 0 0 -59.0 -5.3 -176.0 -104.2 123.0 54.7 184 -3.1 0 0.0 0 0.0 0 0.0 6 19
189 A 189 GLY G T T <5TS+ 0 0 100.6 -8.0 -168.3 118.2 90.7 78.7 186 -0.8 0 0.0 0 0.0 0 0.0 7 19
190 A 190 ASN N S t T - 110 0 -79.2 98.8 -177.2 -166.4 24.6 123.2 0 0.0 200 -2.3 0 0.0 0 0.0 9 39
198 A 198 GLY G T e 3 TS+ 0 0 -64.8 3.0 175.6 67.5 80.4 71.6 110 -1.8 0 0.0 196 -1.3 0 0.0 10 43
199 A 199 THR T T T 3 TS+ 0 0 -97.8 -13.1 -177.7 94.4 79.7 60.5 0 0.0 0 0.0 0 0.0 0 0.0 7 40
200 A 200 LYS K S t < TS- 0 0 -75.6 154.3 153.5 -69.9 93.1 118.6 197 -2.3 0 0.0 0 0.0 0 0.0 8 29
201 A 201 PRO P h > > T - 0 0 -23.6 125.5 175.6 -118.2 41.3 97.3 0 0.0 205 -2.4 0 0.0 204 -1.1 6 30
202 A 202 VAL V H H > 3 TS+ 0 0 -43.6 -37.7 172.7 57.1 119.5 34.6 0 0.0 206 -1.5 0 0.0 0 0.0 7 37
203 A 203 ALA A H H > 3 TS+ 0 0 -56.3 -50.9 -174.9 41.9 107.2 27.7 0 0.0 207 -1.1 0 0.0 0 0.0 7 27
204 A 204 GLU E H H > X TS+ 0 0 -72.9 -45.9 179.3 54.0 111.1 17.2 201 -1.1 208 -3.0 0 0.0 207 -0.7 8 27
205 A 205 VAL V H H X 3 TS+ 0 0 -57.0 -36.6 178.9 56.5 105.9 28.7 201 -2.4 209 -3.1 0 0.0 0 0.0 12 39
206 A 206 ARG R H H X 3 TS+ 0 0 -61.9 -36.4 178.9 44.0 110.3 32.6 202 -1.5 210 -1.5 0 0.0 0 0.0 10 39
207 A 207 ALA A H H X X TS+ 0 0 -73.0 -50.7 -179.9 56.0 109.1 12.2 203 -1.1 211 -2.6 204 -0.7 210 -0.9 8 31
208 A 208 ASP D H H < 3 TS+ 0 0 -49.6 -44.0 172.6 49.7 109.0 30.2 204 -3.0 0 0.0 0 0.0 0 0.0 9 36
209 A 209 LEU L H H X > TS+ 0 0 -65.2 -36.2 178.5 50.7 108.1 28.7 205 -3.1 213 -2.6 0 0.0 212 -1.3 9 47
210 A 210 GLU E H H X < TS+ 0 0 -64.7 -44.0 175.4 56.2 106.6 14.1 206 -1.5 214 -0.8 207 -0.9 0 0.0 8 31
211 A 211 LYS K H H < 3 TS+ 0 0 -58.8 -15.0 179.0 41.6 113.5 50.3 207 -2.6 0 0.0 0 0.0 0 0.0 7 24
212 A 212 ILE I H H 4 < TS+ 0 0 -97.2 -57.4 -177.2 27.4 126.6 29.3 209 -1.3 0 0.0 0 0.0 0 0.0 7 33
213 A 213 LEU L H H < T 0 0 -66.6 -63.5 -177.8 999.9 999.9 5.1 209 -2.6 0 0.0 0 0.0 0 0.0 5 39
214 A 214 GLY G h < T 0 0 150.0 999.9 999.9 999.9 999.9 81.6 210 -0.8 0 0.0 0 0.0 0 0.0 4 25
1e4yA.pdb
1E4Y TRANSFERASE(PHOSPHOTRANSFERASE) MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEESTTSSHHHHHHHHHHHTT EEEHHHHHHHHHTTT HHHHHHHHHHHTT HHHHHHHHHHHHTSTTGGG EEEES SHHHHHHHHHHT Kabs/Sand
chirality +--++--++-++++++++++++-+---+-++++++++++-+-+++++++++++-+----+++++++++++++-++++-----+++++-+++++++++-+ chirality
bends SSSSSSSSSSSSSSSSS SSSSSSSSSSS SSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSS SS SSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< >5555 5-turns
3-turns >33< >33< >33< >>3<< >33< >>3<< >>3<< >33X3>X3<< >33< >33< 3-turns
bridge-2 bbbbb ccc bridge-2
bridge-1 aaaa ccc aaaa bridge-1
sheets AAAAAA AAA AAAA sheets
4-turns >>>>XXXXX<<<< >>>>XXX<<<< >>>>XXXXX<<<< >>>>XXXXXX<<<< >>>>XXXX<<<< 4-turns
summary eEEEEEEeTTthHHHHHHHHHHHhTteEEEHHHHHHHHHhTThHHHHHHHHHHHhTt hHHHHHHHHHHHHhtTgGGGgEEEEe hHHHHHHHHHHh summary
sequence MRIILLGALVAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFPRTIPQADAMKEAG sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand SEEEEEE TTHHHHHHHTEEEETTTTEEEETTTB SSTTB TTT B B GGGSHHHHHHHHHHHHHHTTHHHHHHHHHHHTTSS EEEEETTS Kabs/Sand
chirality +--+-----+--++++++++++----++-+-+--+++---+-++--++-+------+++-+++++++++++++++++++++++++++-+---+----++- chirality
bends S SSSSSSSSSS SSS SSSS SSSSS SSS SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS SSS bends
turns T TTTTTTTTTTTT TTTTTT TTTTT TTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT turns
5-turns < >5555< >5555< >5555< 5-turns
3-turns >33< >33< >33< >33< >>3>3<< >33< >33< 3-turns
bridge-2 ddddd A B bridge-2
bridge-1 bbbbb EEEE EEEE B C C A ddddd bridge-1
sheets AAAAAA BBBB BBBB AAAAA sheets
4-turns >4>>X>X<<<< >444< >444< >444< >>>>XXXXXXXX<<<<>>>>XXXXX<<<< 4-turns
summary t SEEEEEE tThHHHHHHHhEEEETTTTEEEEeTTB StTTBtTTTt B B gGGGhHHHHHHHHHHHHHHhhHHHHHHHHHHHhTtSeEEEEEeTt summary
sequence INVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKRLVEYHQMTAPLIGYYSKEAEAGNTKYAKVDGTK sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHHHH Kabs/Sand
chirality -+++++++++++ chirality
bends SSSSSSSSSSS bends
turns TTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33X33X3><3< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXX