Secondary structure calculation program - copyright by David Keith Smith, 1989
7mdhA.pdb
7MDH CHLOROPLASTIC MALATE DEHYDROGENASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 351
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 23 ASP D 0 0 999.9 100.6 -179.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 33
2 A 24 CYS C - 0 0 -152.6 166.0 -179.3 -144.8 999.9 164.3 0 0.0 0 0.0 0 0.0 0 0.0 9 34
3 A 25 PHE F g > T - 0 0 -139.6 137.8 179.2 -44.8 56.4 178.8 76 -0.8 6 -2.4 0 0.0 0 0.0 11 34
4 A 26 GLY G G G > TS- 0 0 43.1 -133.9 -178.9 -1.8 126.4 91.7 0 0.0 7 -2.2 0 0.0 0 0.0 7 31
5 A 27 VAL V G G 3 TS+ 0 0 -62.1 -12.0 -179.6 78.6 121.1 50.6 0 0.0 0 0.0 0 0.0 0 0.0 6 29
6 A 28 PHE F G G < TS+ 0 0 -74.7 -4.8 177.1 87.4 70.2 55.3 3 -2.4 8 -1.6 0 0.0 0 0.0 10 33
7 A 29 CYS C g < T 0 0 -89.2 69.4 179.9 999.9 999.9 124.7 4 -2.2 0 0.0 0 0.0 0 0.0 8 21
8!A 30 THR T 0 0 -169.6 999.9 999.9 999.9 999.9 75.9 6 -1.6 0 0.0 0 0.0 0 0.0 3 16
9!A 43 TRP W 0 0 999.9 140.6 179.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 17
10 A 44 LYS K - 0 0 -76.0 164.5 179.5 -69.3 999.9 106.8 41 -2.3 0 0.0 0 0.0 0 0.0 6 21
11 A 45 LYS K - 0 0 -54.0 139.2 -179.7 -92.5 66.4 104.2 0 0.0 0 0.0 0 0.0 0 0.0 6 22
12 A 46 LEU L - 0 0 -57.1 136.8 178.5 -150.1 39.6 105.6 0 0.0 0 0.0 0 0.0 0 0.0 8 32
13 A 47 VAL V E E Aa - 44 0 -114.1 132.1 -179.0 -141.2 6.1 160.5 43 -1.6 45 -1.4 0 0.0 0 0.0 11 47
14 A 48 ASN N E E Aa - 45 0 -98.1 132.7 -177.8 -166.6 15.6 142.3 0 0.0 90 -2.3 0 0.0 91 -2.1 12 53
15 A 49 ILE I E E Aab - 46 91 -122.3 129.5 178.9 -159.7 6.0 164.0 45 -2.9 47 -3.6 0 0.0 0 0.0 13 68
16 A 50 ALA A E E Aab - 47 92 -107.7 137.2 -179.3 -172.2 8.9 151.4 91 -3.4 93 -3.6 0 0.0 0 0.0 16 69
17 A 51 VAL V E E Aab> T - 48 93 -134.2 117.4 178.4 -163.3 5.2 165.0 47 -2.5 49 -2.7 0 0.0 20 -0.5 14 74
18 A 52 SER S E E Aab3 TS+ 49 94 -93.2 157.9 -177.5 35.6 81.7 128.6 93 -2.2 95 -1.0 0 0.0 0 0.0 12 74
19 A 53 GLY G T e > TS+ 0 0 68.0 23.0 -178.3 159.5 79.0 39.3 49 -0.6 22 -2.5 0 0.0 0 0.0 13 61
20 A 54 ALA A T T < T + 0 0 -54.6 -18.7 179.6 51.2 65.4 52.0 49 -2.0 0 0.0 17 -0.5 0 0.0 13 63
21 A 55 ALA A T T 3 TS+ 0 0 -99.4 -2.1 179.9 106.9 92.0 63.7 0 0.0 0 0.0 0 0.0 0 0.0 12 48
22 A 56 GLY G S h > < TS- 0 0 -71.8 170.7 -178.8 -103.6 85.7 97.6 19 -2.5 26 -2.0 0 0.0 0 0.0 8 49
23 A 57 MET M H H > TS+ 0 0 -63.6 -39.9 -179.8 51.4 119.1 30.3 0 0.0 27 -0.6 0 0.0 0 0.0 8 45
24 A 58 ILE I H H > > TS+ 0 0 -63.6 -46.7 -179.4 49.1 110.4 21.0 0 0.0 28 -2.8 0 0.0 27 -1.4 11 47
25 A 59 SER S H H > 3 TS+ 0 0 -60.1 -39.5 -179.1 66.5 99.8 27.7 0 0.0 29 -2.7 0 0.0 0 0.0 13 59
26 A 60 ASN N H H < 3 TS+ 0 0 -56.6 -22.1 178.3 31.9 113.5 43.4 22 -2.0 0 0.0 0 0.0 0 0.0 11 50
27 A 61 HIS H H H X < TS+ 0 0 -98.6 -47.9 -177.8 51.9 119.3 34.6 24 -1.4 31 -1.1 23 -0.6 0 0.0 11 43
28 A 62 LEU L H H X > TS+ 0 0 -57.7 -49.1 -178.0 60.9 99.2 26.0 24 -2.8 32 -2.3 0 0.0 31 -0.7 13 60
29 A 63 LEU L H H X 3 TS+ 0 0 -51.0 -40.9 -179.5 48.6 105.5 30.2 25 -2.7 33 -2.6 0 0.0 0 0.0 8 70
30 A 64 PHE F H H > 3 TS+ 0 0 -72.2 -29.4 177.6 53.1 108.3 33.4 0 0.0 34 -2.0 0 0.0 0 0.0 9 55
31 A 65 LYS K H H < <>TS+ 0 0 -67.5 -40.9 179.8 45.8 112.9 24.8 27 -1.1 36 -1.5 28 -0.7 37 -0.8 11 48
32 A 66 LEU L H H < >5TS+ 0 0 -65.8 -45.7 -179.2 49.3 113.0 23.9 28 -2.3 35 -0.6 0 0.0 0 0.0 11 61
33 A 67 ALA A H H < 35TS+ 0 0 -64.2 -36.9 -179.1 54.3 107.0 32.7 29 -2.6 0 0.0 0 0.0 0 0.0 11 53
34 A 68 SER S T h < 35TS- 0 0 -72.5 -18.8 179.9 -119.2 112.1 47.8 30 -2.0 0 0.0 0 0.0 0 0.0 12 39
35 A 69 GLY G T T > <5TS+ 0 0 91.2 12.3 179.9 124.8 77.9 53.6 32 -0.6 39 -1.1 0 0.0 0 0.0 13 41
36 A 70 GLU E T T 4 T - 0 0 98.7 153.8 -179.2 -75.9 32.2 87.1 35 -1.1 42 -1.9 0 0.0 0 0.0 7 36
40 A 74 GLN Q T T 3 TS+ 0 0 -63.4 -8.5 -179.7 53.5 126.1 58.9 0 0.0 0 0.0 0 0.0 0 0.0 9 28
41 A 75 ASP D T T 3 TS+ 0 0 -110.4 8.7 -179.2 89.7 88.7 73.1 0 0.0 10 -2.3 0 0.0 0 0.0 8 25
42 A 76 GLN Q t < T - 0 0 -111.1 91.3 179.4 -159.6 61.3 141.1 39 -1.9 0 0.0 0 0.0 0 0.0 13 36
43 A 77 PRO P e - 0 0 -65.2 143.2 -179.6 -166.6 20.5 113.9 0 0.0 13 -1.6 0 0.0 0 0.0 15 37
44 A 78 ILE I E E Aac - 13 73 -127.5 175.9 178.5 -145.4 22.0 139.0 72 -2.4 74 -2.0 0 0.0 75 -0.9 13 48
45 A 79 ALA A E E Aac - 14 75 -140.7 130.6 -179.6 -144.1 17.9 172.3 13 -1.4 15 -2.9 0 0.0 47 -0.5 12 62
46 A 80 LEU L E E Aac - 15 76 -105.8 125.2 178.3 -168.6 9.5 152.3 75 -2.8 77 -1.8 0 0.0 48 -0.7 12 72
47 A 81 LYS K E E Aac - 16 77 -109.8 102.6 -177.6 -158.9 16.9 155.4 15 -3.6 17 -2.5 45 -0.5 49 -0.6 14 71
48 A 82 LEU L E E Aac - 17 78 -93.5 117.5 178.9 -173.5 9.9 138.1 77 -2.9 79 -1.6 46 -0.7 0 0.0 14 71
49 A 83 LEU L E E Aac + 18 79 -107.7 134.2 178.6 156.5 14.7 153.6 17 -2.7 20 -2.0 47 -0.6 19 -0.6 15 63
50 A 84 GLY G e - 0 0 -143.9 176.8 178.8 -85.0 45.0 149.8 79 -1.8 0 0.0 0 0.0 0 0.0 15 51
51 A 85 SER S g > T - 0 0 -84.8 154.2 179.7 -119.4 36.2 124.5 0 0.0 54 -2.1 0 0.0 0 0.0 8 43
52 A 86 GLU E G G > TS+ 0 0 -58.9 -34.7 179.2 66.5 115.7 28.4 0 0.0 55 -1.9 0 0.0 0 0.0 6 27
53 A 87 ARG R G G 3 TS+ 0 0 -58.4 -17.3 -178.8 35.8 110.4 47.9 0 0.0 0 0.0 0 0.0 0 0.0 4 23
54 A 88 SER S G h > < TS+ 0 0 -126.1 23.5 -179.3 118.0 76.7 85.2 51 -2.1 58 -2.2 0 0.0 0 0.0 9 30
55 A 89 PHE F H H > < TS+ 0 0 -58.2 -41.3 -179.9 51.9 79.4 26.9 52 -1.9 59 -2.0 0 0.0 0 0.0 12 31
56 A 90 GLN Q H H > TS+ 0 0 -63.5 -37.2 178.7 50.5 108.8 29.8 0 0.0 60 -2.2 0 0.0 0 0.0 6 26
57 A 91 ALA A H H > TS+ 0 0 -67.1 -37.0 179.4 55.0 107.7 27.6 0 0.0 61 -2.1 0 0.0 0 0.0 8 32
58 A 92 LEU L H H X TS+ 0 0 -61.9 -40.4 -179.5 49.7 106.8 27.9 54 -2.2 62 -2.0 0 0.0 0 0.0 13 47
59 A 93 GLU E H H X TS+ 0 0 -64.7 -45.2 179.7 56.4 106.7 20.6 55 -2.0 63 -2.8 0 0.0 0 0.0 9 41
60 A 94 GLY G H H X TS+ 0 0 -52.0 -49.8 -179.9 45.2 108.8 23.1 56 -2.2 64 -2.3 0 0.0 0 0.0 8 37
61 A 95 VAL V H H X TS+ 0 0 -62.9 -41.7 -179.6 52.0 111.7 25.4 57 -2.1 65 -2.0 0 0.0 0 0.0 10 50
62 A 96 ALA A H H X TS+ 0 0 -61.3 -38.5 179.8 50.3 110.2 26.5 58 -2.0 66 -2.1 0 0.0 0 0.0 12 53
63 A 97 MET M H H X TS+ 0 0 -66.5 -41.5 179.5 52.8 106.8 25.9 59 -2.8 67 -2.1 0 0.0 0 0.0 9 36
64 A 98 GLU E H H < TS+ 0 0 -62.7 -33.7 179.2 53.5 108.3 29.6 60 -2.3 0 0.0 0 0.0 0 0.0 8 39
65 A 99 LEU L H H X > TS+ 0 0 -66.9 -45.6 178.8 51.3 105.0 21.0 61 -2.0 68 -1.6 0 0.0 69 -0.7 10 45
66 A 100 GLU E H H < > TS+ 0 0 -56.3 -41.4 -179.0 51.2 110.8 24.8 62 -2.1 69 -1.0 0 0.0 0 0.0 11 37
67 A 101 ASP D T h < 3 TS+ 0 0 -72.8 -8.9 -179.5 65.3 99.5 53.6 63 -2.1 0 0.0 0 0.0 0 0.0 6 26
68 A 102 SER S T T 4 < TS- 0 0 -87.6 -15.6 178.7 -150.5 87.3 49.4 65 -1.6 0 0.0 0 0.0 0 0.0 6 31
69 A 103 LEU L t < < T + 0 0 52.1 33.2 178.5 178.7 22.4 38.7 66 -1.0 0 0.0 65 -0.7 0 0.0 6 32
70 A 104 TYR Y t > T - 0 0 -68.6 114.0 -179.7 -156.0 18.9 123.3 0 0.0 73 -0.7 0 0.0 0 0.0 9 37
71 A 105 PRO P T T 3 TS+ 0 0 -64.5 -20.1 179.6 56.4 90.8 46.6 0 0.0 0 0.0 0 0.0 0 0.0 7 34
72 A 106 LEU L T e 3 TS+ 0 0 -82.7 -25.7 179.0 83.2 87.6 40.5 0 0.0 44 -2.4 0 0.0 74 -1.5 11 38
73 A 107 LEU L E E Ac < T + 44 0 -79.8 90.9 -178.3 163.2 52.9 129.4 70 -0.7 0 0.0 0 0.0 0 0.0 12 52
74 A 108 ARG R E E A* + 0 0 -83.7 -23.7 -179.4 28.4 60.3 43.9 44 -2.0 0 0.0 72 -1.5 0 0.0 9 44
75 A 109 GLU E E E Ac + 45 0 -143.2 146.0 178.9 174.7 55.0 176.6 44 -0.9 46 -2.8 0 0.0 0 0.0 11 51
76 A 110 VAL V E E Ac + 46 0 -148.2 133.4 178.4 161.4 10.5 168.6 0 0.0 3 -0.8 0 0.0 0 0.0 14 58
77 A 111 SER S E E Ac - 47 0 -150.5 155.3 -179.6 -156.7 16.2 167.7 46 -1.8 48 -2.9 0 0.0 0 0.0 12 53
78 A 112 ILE I E E Ac + 48 0 -134.0 162.8 -179.8 141.5 20.8 154.4 0 0.0 0 0.0 0 0.0 0 0.0 14 54
79 A 113 GLY G E E Ac - 49 0 179.0 175.9 -179.9 -120.9 47.7 166.2 48 -1.6 50 -1.8 0 0.0 0 0.0 10 43
80 A 114 ILE I S S S+ 0 0 -117.6 3.4 -178.9 87.9 83.8 68.7 0 0.0 0 0.0 0 0.0 0 0.0 10 41
81 A 115 ASP D h > > T - 0 0 -113.0 112.1 180.0 -159.8 57.3 154.5 0 0.0 85 -2.8 0 0.0 84 -2.0 7 42
82 A 116 PRO P H H > 3 TS+ 0 0 -53.2 -38.7 179.6 60.2 94.8 34.8 0 0.0 86 -2.3 0 0.0 0 0.0 10 54
83 A 117 TYR Y H H 4 3 TS+ 0 0 -66.0 -14.0 -179.8 36.9 116.3 48.2 0 0.0 0 0.0 0 0.0 0 0.0 11 40
84 A 118 GLU E H H 4 X TS+ 0 0 -100.0 -59.8 -178.8 43.5 118.2 30.8 81 -2.0 87 -1.5 0 0.0 0 0.0 7 39
85 A 119 VAL V H H < 3 TS+ 0 0 -58.7 -33.7 -178.7 56.9 111.4 35.2 81 -2.8 0 0.0 0 0.0 0 0.0 14 52
86 A 120 PHE F T h < > TS+ 0 0 -80.9 -1.5 -178.3 130.9 71.7 63.1 82 -2.3 89 -1.7 0 0.0 0 0.0 14 58
87 A 121 GLU E T T < TS- 0 0 -61.4 123.5 179.4 -11.7 87.3 110.5 84 -1.5 0 0.0 0 0.0 0 0.0 10 47
88 A 122 ASP D T T 3 TS+ 0 0 67.8 8.4 -178.2 160.4 91.8 58.7 127 -1.9 0 0.0 0 0.0 0 0.0 8 42
89 A 123 VAL V t < T - 0 0 -68.7 135.5 179.1 -168.7 29.8 113.1 86 -1.7 129 -1.5 0 0.0 0 0.0 14 52
90 A 124 ASP D S e S+ 0 0 -87.9 -32.2 179.3 34.7 79.1 40.4 14 -2.3 133 -2.5 0 0.0 0 0.0 13 51
91 A 125 TRP W E E Abd - 15 133 -127.8 139.2 178.8 -168.5 62.9 168.6 14 -2.1 16 -3.4 0 0.0 0 0.0 12 67
92 A 126 ALA A E E Abd - 16 134 -129.3 104.4 179.3 -169.3 2.6 158.0 133 -2.3 135 -2.0 0 0.0 94 -0.9 14 76
93 A 127 LEU L E E Abd - 17 135 -94.5 102.8 -178.1 -163.0 10.4 146.7 16 -3.6 18 -2.2 0 0.0 95 -1.2 12 81
94 A 128 LEU L E E Abd + 18 136 -94.2 85.9 180.0 144.2 33.8 130.6 135 -2.9 137 -2.6 92 -0.9 138 -2.2 13 79
95 A 129 ILE I e + 0 0 -87.6 -29.0 -178.4 109.1 39.6 39.5 93 -1.2 0 0.0 18 -1.0 0 0.0 13 70
96 A 130 GLY G + 0 0 -56.6 128.3 178.9 133.7 38.1 103.9 0 0.0 0 0.0 0 0.0 0 0.0 11 65
97 A 131 ALA A - 0 0 -171.1 147.7 179.1 -100.4 56.2 158.0 0 0.0 0 0.0 0 0.0 0 0.0 9 55
98 A 132 LYS K - 0 0 -76.7 132.0 -179.9 -121.6 43.4 126.6 0 0.0 0 0.0 0 0.0 0 0.0 9 42
99 A 133 PRO P - 0 0 -70.9 157.1 179.8 -78.2 42.1 107.5 0 0.0 101 -0.7 0 0.0 0 0.0 6 35
100 A 134 ARG R - 0 0 -58.6 104.2 -179.2 -142.0 61.0 113.5 0 0.0 0 0.0 0 0.0 0 0.0 6 29
101 A 135 GLY G t > T - 0 0 -60.7 -179.8 180.0 -59.4 35.3 83.0 99 -0.7 104 -1.1 0 0.0 0 0.0 7 21
102 A 136 PRO P T T 3 TS- 0 0 -67.6 121.0 -179.6 -13.0 120.2 119.8 0 0.0 0 0.0 0 0.0 0 0.0 4 15
103 A 137 GLY G T T 3 TS+ 0 0 50.4 53.4 -179.7 164.7 94.4 18.4 0 0.0 105 -0.6 0 0.0 0 0.0 4 15
104 A 138 MET M t < T - 0 0 -108.5 117.3 179.6 -133.9 32.9 156.0 101 -1.1 0 0.0 0 0.0 0 0.0 8 24
105 A 139 GLU E h > > T - 0 0 -68.5 143.2 -179.6 -111.0 25.8 113.1 103 -0.6 108 -1.9 0 0.0 109 -1.3 7 30
106 A 140 ARG R H H > 3 TS+ 0 0 -41.6 -36.6 -179.3 59.9 118.0 37.6 0 0.0 110 -2.0 0 0.0 0 0.0 9 46
107 A 141 ALA A H H > 3 TS+ 0 0 -64.9 -37.5 179.7 52.7 100.7 31.4 0 0.0 111 -1.8 0 0.0 0 0.0 10 43
108 A 142 ALA A H H > < TS+ 0 0 -64.1 -46.5 -179.9 50.2 108.3 21.6 105 -1.9 112 -2.6 0 0.0 0 0.0 8 42
109 A 143 LEU L H H X >TS+ 0 0 -56.9 -49.2 179.4 55.3 107.4 20.9 105 -1.3 113 -2.8 0 0.0 114 -0.6 15 46
110 A 144 LEU L H H X 5TS+ 0 0 -49.7 -53.1 -179.6 41.1 112.5 22.8 106 -2.0 114 -2.7 0 0.0 0 0.0 14 59
111 A 145 ASP D H H X 5TS+ 0 0 -62.3 -54.6 -179.4 48.2 116.1 16.8 107 -1.8 115 -2.3 0 0.0 0 0.0 10 48
112 A 146 ILE I H H X 5TS+ 0 0 -53.8 -53.4 179.8 31.9 123.2 21.8 108 -2.6 116 -0.7 0 0.0 0 0.0 9 42
113 A 147 ASN N H H X >5TS+ 0 0 -74.1 -41.4 179.2 58.4 115.2 24.9 109 -2.8 117 -2.2 0 0.0 116 -0.9 13 51
114 A 148 GLY G H H X 3TS+ 0 0 -61.0 -45.4 179.5 48.3 111.3 21.2 119 -2.3 127 -3.1 0 0.0 128 -0.7 12 49
124 A 158 LEU L H H X 5TS+ 0 0 -58.6 -50.2 -179.7 49.2 112.0 19.3 120 -2.9 128 -1.3 0 0.0 0 0.0 14 56
125 A 159 ASN N H H < 5TS+ 0 0 -54.6 -48.6 -179.0 44.5 115.9 20.9 121 -2.1 0 0.0 0 0.0 0 0.0 13 44
126 A 160 ALA A H H < 5TS+ 0 0 -66.3 -45.8 -177.6 3.4 135.5 25.9 122 -2.8 0 0.0 0 0.0 0 0.0 7 35
127 A 161 VAL V H H < 5TS+ 0 0 -118.8 -26.0 -179.1 92.7 100.9 43.3 123 -3.1 88 -1.9 0 0.0 0 0.0 10 36
128 A 162 ALA A S h < T - 0 0 -58.4 146.7 -179.2 -122.2 40.8 107.2 89 -1.5 132 -1.4 0 0.0 0 0.0 10 43
130 A 164 LYS K T T 3 TS+ 0 0 -68.5 -16.1 178.6 46.1 112.8 48.8 0 0.0 0 0.0 0 0.0 0 0.0 7 36
131 A 165 ASN N T T 3 TS+ 0 0 -115.9 34.9 -179.5 151.2 82.2 95.6 0 0.0 0 0.0 0 0.0 0 0.0 8 41
132 A 166 VAL V t < T - 0 0 -69.9 133.4 179.0 -138.1 40.8 116.8 129 -1.4 0 0.0 0 0.0 0 0.0 12 54
133 A 167 LYS K E E Ad - 91 0 -93.2 132.3 -177.5 -156.2 17.9 143.5 90 -2.5 92 -2.3 0 0.0 135 -0.6 10 66
134 A 168 VAL V E E Ade - 92 160 -118.6 115.1 178.8 -172.6 10.7 158.2 159 -2.7 161 -3.1 0 0.0 136 -0.6 11 79
135 A 169 LEU L E E Ade - 93 161 -106.8 123.6 -179.0 -155.8 12.5 156.2 92 -2.0 94 -2.9 133 -0.6 0 0.0 12 80
136 A 170 VAL V E E Ade + 94 162 -103.4 133.9 178.7 153.9 31.3 147.5 161 -3.3 163 -2.6 134 -0.6 0 0.0 15 70
137 A 171 VAL V e + 0 0 -125.4 -25.7 178.9 105.7 45.9 60.0 94 -2.6 0 0.0 0 0.0 0 0.0 12 72
138 A 172 GLY G S S S- 0 0 -62.6 125.1 -178.8 -79.0 82.5 115.7 94 -2.2 0 0.0 0 0.0 0 0.0 11 65
139 A 173 ASN N S S S+ 0 0 -82.0 143.7 -0.1 38.6 119.5 119.4 0 0.0 0 0.0 0 0.0 0 0.0 9 63
140 A 174 PRO P S h > TS+ 0 0 -72.7 135.7 -178.4 178.3 80.7 61.4 0 0.0 144 -1.2 0 0.0 0 0.0 11 70
141 A 175 CYS C H H > TS+ 0 0 -70.7 -63.2 -179.2 43.1 72.5 8.2 0 0.0 145 -3.2 0 0.0 0 0.0 12 79
142 A 176 ASN N H H > TS+ 0 0 -48.0 -61.0 -179.4 41.5 120.4 19.0 0 0.0 146 -2.7 0 0.0 0 0.0 18 79
143 A 177 THR T H H > TS+ 0 0 -60.3 -35.0 179.1 51.2 115.7 31.5 0 0.0 147 -2.4 0 0.0 0 0.0 14 82
144 A 178 ASN N H H X TS+ 0 0 -68.9 -38.1 -179.8 48.4 111.0 27.7 140 -1.2 148 -2.2 0 0.0 0 0.0 16 76
145 A 179 ALA A H H X TS+ 0 0 -65.6 -45.7 179.6 50.4 111.1 21.7 141 -3.2 149 -2.8 0 0.0 0 0.0 14 74
146 A 180 LEU L H H X TS+ 0 0 -56.3 -50.6 179.9 46.4 112.5 20.0 142 -2.7 150 -2.0 0 0.0 0 0.0 13 74
147 A 181 ILE I H H X TS+ 0 0 -60.3 -38.9 -179.5 53.4 111.6 29.4 143 -2.4 151 -1.1 0 0.0 0 0.0 15 70
148 A 182 CYS C H H < > TS+ 0 0 -64.7 -49.2 -179.2 43.7 110.6 18.9 144 -2.2 151 -0.6 0 0.0 0 0.0 15 71
149 A 183 LEU L H H < > TS+ 0 0 -68.4 -28.9 179.2 58.6 108.1 34.7 145 -2.8 152 -1.2 0 0.0 0 0.0 13 62
150 A 184 LYS K H H < 3 TS+ 0 0 -68.2 -25.7 -179.9 47.3 108.7 36.1 146 -2.0 0 0.0 0 0.0 0 0.0 12 51
151 A 185 ASN N T h < < TS+ 0 0 -95.6 5.5 178.5 58.6 108.2 69.5 147 -1.1 0 0.0 148 -0.6 0 0.0 12 48
152 A 186 ALA A t X T + 0 0 -134.3 73.8 -179.7 158.8 58.0 129.6 149 -1.2 155 -1.1 0 0.0 0 0.0 11 47
153 A 187 PRO P T T 3 TS+ 0 0 -66.9 -31.1 -179.6 61.1 71.7 39.3 0 0.0 0 0.0 0 0.0 0 0.0 9 38
154 A 188 ASP D T T 3 TS+ 0 0 -81.6 9.1 178.6 74.0 96.6 70.3 0 0.0 0 0.0 0 0.0 0 0.0 6 28
155 A 189 ILE I S t < TS- 0 0 -125.3 124.8 -179.7 -99.5 99.7 171.2 152 -1.1 0 0.0 0 0.0 0 0.0 11 43
156 A 190 PRO P g > T - 0 0 -44.2 119.0 178.4 -140.2 19.5 96.5 0 0.0 159 -2.2 0 0.0 0 0.0 9 44
157 A 191 ALA A G G > TS+ 0 0 -52.7 -18.5 -179.5 75.2 101.3 43.8 0 0.0 160 -1.0 0 0.0 0 0.0 9 51
158 A 192 LYS K G G 3 TS+ 0 0 -61.6 -39.6 -176.8 61.8 83.5 34.4 0 0.0 0 0.0 0 0.0 0 0.0 7 54
159 A 193 ASN N G e < TS+ 0 0 -75.0 -0.9 -179.5 101.6 79.3 65.0 156 -2.2 134 -2.7 0 0.0 0 0.0 12 65
160 A 194 PHE F E E Ae < T - 134 0 -94.0 130.6 -179.3 -177.4 48.0 138.6 157 -1.0 0 0.0 0 0.0 0 0.0 15 70
161 A 195 HIS H E E Ae - 135 0 -128.2 142.5 176.9 -158.1 21.9 164.5 134 -3.1 136 -3.3 0 0.0 163 -0.5 14 76
162 A 196 ALA A E E AeA - 136 274 -114.5 118.1 -175.8 -120.3 37.8 169.9 274 -2.0 274 -2.6 0 0.0 0 0.0 16 72
163 A 197 LEU L e + 0 0 -74.8 127.5 179.0 148.6 51.2 116.4 136 -2.6 0 0.0 161 -0.5 0 0.0 14 67
164 A 198 THR T h > T + 0 0 -128.2 -0.2 -178.6 107.4 45.0 73.5 0 0.0 168 -1.7 0 0.0 0 0.0 12 74
165 A 199 ARG R H H > TS+ 0 0 -52.1 -37.9 178.4 59.7 74.4 33.5 0 0.0 169 -3.1 0 0.0 0 0.0 14 66
166 A 200 LEU L H H > TS+ 0 0 -56.0 -50.1 -179.3 45.8 107.4 16.5 0 0.0 170 -2.6 0 0.0 0 0.0 11 66
167 A 201 ASP D H H > TS+ 0 0 -63.8 -30.9 177.9 52.0 111.6 34.8 0 0.0 171 -2.0 0 0.0 0 0.0 9 66
168 A 202 GLU E H H X TS+ 0 0 -68.0 -51.6 179.4 48.2 110.3 14.6 164 -1.7 172 -3.2 0 0.0 0 0.0 13 67
169 A 203 ASN N H H X TS+ 0 0 -53.6 -46.8 178.9 47.4 113.3 25.7 165 -3.1 173 -2.0 0 0.0 0 0.0 9 62
170 A 204 ARG R H H X TS+ 0 0 -62.2 -39.6 179.4 51.2 112.1 26.4 166 -2.6 174 -2.2 0 0.0 0 0.0 10 61
171 A 205 ALA A H H X TS+ 0 0 -62.9 -45.7 179.5 50.5 108.5 22.8 167 -2.0 175 -1.9 0 0.0 0 0.0 13 63
172 A 206 LYS K H H X TS+ 0 0 -61.1 -36.0 179.8 51.3 110.2 30.3 168 -3.2 176 -2.2 0 0.0 0 0.0 12 56
173 A 207 CYS C H H X TS+ 0 0 -68.0 -42.8 -179.8 48.2 109.5 25.3 169 -2.0 177 -2.4 0 0.0 0 0.0 9 51
174 A 208 GLN Q H H X TS+ 0 0 -68.8 -28.8 178.2 49.4 112.7 36.4 170 -2.2 178 -2.0 0 0.0 0 0.0 11 51
175 A 209 LEU L H H X TS+ 0 0 -75.2 -40.5 -179.6 49.2 111.0 26.3 171 -1.9 179 -1.8 0 0.0 0 0.0 11 57
176 A 210 ALA A H H < >TS+ 0 0 -63.1 -43.8 179.7 47.7 113.3 22.5 172 -2.2 181 -2.9 0 0.0 0 0.0 14 43
177 A 211 LEU L H H < >5TS+ 0 0 -59.2 -62.8 -179.5 47.2 111.7 9.9 173 -2.4 180 -2.8 0 0.0 0 0.0 10 34
178 A 212 LYS K H H < 35TS+ 0 0 -50.5 -33.8 -179.6 46.1 116.6 36.9 174 -2.0 0 0.0 0 0.0 0 0.0 8 40
179 A 213 ALA A T h < 35TS- 0 0 -93.8 6.5 -180.0 -123.9 108.9 71.8 175 -1.8 0 0.0 0 0.0 0 0.0 8 37
180 A 214 GLY G T T <5TS+ 0 0 54.8 33.7 -179.7 119.8 73.0 35.4 177 -2.8 0 0.0 0 0.0 0 0.0 6 24
181 A 215 VAL V S t T - 0 0 -73.8 152.1 -178.2 -112.9 35.4 114.4 0 0.0 185 -2.0 0 0.0 0 0.0 8 25
183 A 217 TYR Y G G > TS+ 0 0 -61.2 -13.2 178.5 66.2 112.5 51.4 0 0.0 186 -0.7 0 0.0 0 0.0 10 29
184 A 218 ASP D G G 3 TS+ 0 0 -89.4 8.7 178.8 60.1 94.2 70.8 0 0.0 0 0.0 0 0.0 0 0.0 5 32
185 A 219 LYS K G e < TS+ 0 0 -111.7 2.4 179.8 87.0 90.2 70.1 182 -2.0 209 -3.7 0 0.0 0 0.0 9 33
186 A 220 VAL V E E BF < T + 208 0 -105.0 137.7 179.2 152.3 54.0 147.7 183 -0.7 0 0.0 0 0.0 0 0.0 15 45
187 A 221 SER S E E BF + 207 0 -146.7 -169.3 179.9 51.6 40.1 142.2 207 -2.5 207 -1.8 0 0.0 0 0.0 12 54
188 A 222 ASN N + 0 0 38.5 44.7 179.0 161.0 66.7 36.0 0 0.0 190 -0.5 0 0.0 0 0.0 11 58
189 A 223 VAL V - 0 0 -96.2 127.7 -178.4 -168.2 18.0 146.4 0 0.0 0 0.0 0 0.0 0 0.0 17 68
190 A 224 THR T E E CG - 202 0 -121.7 140.0 175.7 -159.7 19.7 158.9 202 -0.7 202 -3.3 188 -0.5 192 -0.6 16 69
191 A 225 ILE I E E CG - 201 0 -113.6 115.9 -179.2 -158.7 24.8 167.7 0 0.0 0 0.0 0 0.0 0 0.0 17 72
192 A 226 TRP W E E CG - 200 0 -98.4 152.3 175.5 -7.3 41.5 133.1 200 -2.4 200 -2.2 190 -0.6 0 0.0 15 74
193 A 227 GLY G B B B S+ 291 0 86.0 -138.1 -178.7 5.5 100.5 121.0 291 -1.8 291 -2.3 0 0.0 0 0.0 14 71
194 A 228 ASN N - 0 0 -93.3 150.4 178.4 -110.2 69.3 128.6 0 0.0 196 -1.6 0 0.0 0 0.0 15 70
195 A 229 HIS H S S S+ 0 0 -80.3 91.0 -179.4 73.1 88.2 131.7 0 0.0 0 0.0 0 0.0 0 0.0 14 72
196 A 230 SER S S t > TS- 0 0 -176.7 -174.0 179.6 -55.6 107.3 164.6 194 -1.6 199 -2.8 0 0.0 0 0.0 8 64
197 A 231 THR T T T 3 TS+ 0 0 -62.7 -1.0 178.8 61.3 129.6 60.2 349 -2.9 0 0.0 0 0.0 0 0.0 8 51
198 A 232 THR T T T 3 TS+ 0 0 -102.5 -4.2 179.4 121.0 76.4 63.4 0 0.0 0 0.0 0 0.0 0 0.0 12 54
199 A 233 GLN Q t < T - 0 0 -55.9 154.8 -178.7 -136.0 58.6 100.4 196 -2.8 0 0.0 0 0.0 0 0.0 12 66
200 A 234 VAL V E E CG - 192 0 -126.3 103.3 179.4 -154.8 7.3 150.8 192 -2.2 192 -2.4 0 0.0 202 -0.7 13 66
201 A 235 PRO P E E CG - 191 0 -72.8 110.9 -177.3 -140.8 24.4 127.7 0 0.0 203 -1.0 0 0.0 0 0.0 12 71
202 A 236 ASP D E E CG + 190 0 -84.5 101.9 179.6 161.8 36.2 129.4 190 -3.3 190 -0.7 200 -0.7 0 0.0 11 74
203 A 237 PHE F + 0 0 -87.7 -21.4 179.9 73.2 66.9 44.9 201 -1.0 0 0.0 0 0.0 0 0.0 10 68
204 A 238 LEU L S S S+ 0 0 -57.3 -47.5 -179.4 32.4 109.2 20.4 0 0.0 0 0.0 0 0.0 0 0.0 10 50
205 A 239 ASN N S S S+ 0 0 -90.0 -0.1 -179.8 118.8 97.1 63.2 0 0.0 0 0.0 0 0.0 0 0.0 12 53
206 A 240 ALA A e - 0 0 -68.9 143.9 179.4 -159.1 46.7 111.0 0 0.0 213 -2.6 0 0.0 0 0.0 13 60
207 A 241 LYS K E E BFH - 187 212 -126.9 150.5 178.6 -162.3 13.3 158.8 187 -1.8 187 -2.5 0 0.0 0 0.0 12 51
208 A 242 ILE I E E BFH> TS- 186 211 -133.5 106.1 179.8 -23.3 81.0 159.4 211 -2.7 211 -1.2 0 0.0 0 0.0 12 41
209 A 243 ASP D T e 3 TS- 0 0 59.5 45.5 178.1 -46.6 128.3 24.4 185 -3.7 0 0.0 0 0.0 0 0.0 7 34
210 A 244 GLY G T T 3 TS+ 0 0 85.9 -13.7 -179.5 92.4 121.0 75.1 0 0.0 0 0.0 0 0.0 0 0.0 5 32
211 A 245 ARG R E E BH < TS- 208 0 -118.2 146.3 180.0 -88.8 86.6 154.5 208 -1.2 208 -2.7 0 0.0 0 0.0 8 27
212 A 246 PRO P E E BH > T - 207 0 -47.3 143.6 -179.2 -124.8 34.6 95.1 0 0.0 215 -1.5 0 0.0 0 0.0 11 36
213 A 247 VAL V G e > > TS+ 0 0 -60.2 -41.1 -179.5 64.2 109.7 27.2 206 -2.6 216 -2.8 0 0.0 217 -2.6 12 45
214 A 248 LYS K G G 4 3 TS+ 0 0 -58.1 -14.0 179.8 60.6 97.9 47.9 0 0.0 0 0.0 0 0.0 0 0.0 9 38
215 A 249 GLU E G G 4 < TS+ 0 0 -91.4 -5.8 -179.8 26.1 117.0 62.5 212 -1.5 0 0.0 0 0.0 0 0.0 7 27
216 A 250 VAL V T g 4 < TS+ 0 0 -121.2 -50.4 178.5 60.6 113.3 48.6 213 -2.8 218 -0.9 0 0.0 0 0.0 9 32
217 A 251 ILE I t < T + 0 0 -85.2 108.4 -178.9 177.8 59.2 139.6 213 -2.6 0 0.0 0 0.0 0 0.0 9 39
218 A 252 LYS K + 0 0 -87.3 -14.2 -179.6 98.8 52.6 51.8 216 -0.9 220 -2.0 0 0.0 0 0.0 6 28
219 A 253 ARG R h > > T + 0 0 -78.5 82.4 -179.8 170.2 44.3 121.7 0 0.0 223 -1.7 0 0.0 222 -0.6 6 25
220 A 254 THR T H H > 3 TS+ 0 0 -59.4 -40.1 178.7 64.7 73.5 31.2 218 -2.0 224 -2.7 0 0.0 0 0.0 8 26
221 A 255 LYS K H H > 3>TS+ 0 0 -50.1 -41.0 -179.9 47.1 106.3 25.5 0 0.0 225 -1.7 0 0.0 226 -0.8 7 22
222 A 256 TRP W H H > <>TS+ 0 0 -63.8 -65.0 -179.5 48.4 109.9 7.7 219 -0.6 227 -2.0 0 0.0 226 -0.9 8 30
223 A 257 LEU L H H < >TS+ 0 0 -43.6 -48.4 -178.1 44.8 116.1 30.2 219 -1.7 228 -0.6 0 0.0 0 0.0 10 43
224 A 258 GLU E H H < 5TS+ 0 0 -72.0 -35.3 -178.7 5.6 134.3 33.3 220 -2.7 0 0.0 0 0.0 0 0.0 8 36
225 A 259 GLU E H H X 5TS+ 0 0 -117.5 -46.6 -178.5 39.3 130.5 38.8 221 -1.7 229 -0.8 0 0.0 0 0.0 8 31
226 A 260 GLU E H H X TS+ 0 0 -60.5 -52.7 -179.7 52.4 111.4 16.1 227 -1.8 234 -1.9 0 0.0 235 -0.5 12 49
232 A 266 GLN Q H H < 3 TS+ 0 0 -55.1 -30.0 -178.7 37.8 117.9 38.8 228 -2.5 0 0.0 0 0.0 0 0.0 9 48
233 A 267 LYS K T h X 3 TS+ 0 0 -111.0 19.4 179.9 98.2 87.0 82.3 229 -2.5 237 -1.7 0 0.0 0 0.0 9 37
234 A 268 ARG R H H > < TS+ 0 0 -72.4 -39.8 179.8 53.6 81.9 27.1 231 -1.9 238 -1.4 0 0.0 0 0.0 9 43
235 A 269 GLY G H H X TS+ 0 0 -61.9 -37.9 179.7 47.4 110.7 28.4 231 -0.5 239 -1.5 0 0.0 0 0.0 10 41
236 A 270 GLY G H H > TS+ 0 0 -70.6 -37.8 179.8 54.1 108.0 29.2 0 0.0 240 -1.3 0 0.0 0 0.0 7 30
237 A 271 ALA A H H X TS+ 0 0 -66.6 -24.8 180.0 49.8 110.2 39.9 233 -1.7 241 -0.7 0 0.0 0 0.0 8 22
238 A 272 LEU L H H X >TS+ 0 0 -82.4 -34.4 -179.6 54.3 105.4 34.5 234 -1.4 242 -2.1 0 0.0 243 -0.7 12 26
239 A 273 ILE I H H < 5TS+ 0 0 -71.5 -25.0 -180.0 53.9 105.8 40.7 235 -1.5 0 0.0 0 0.0 0 0.0 11 21
240 A 274 GLN Q H H < 5TS+ 0 0 -78.7 -29.1 179.4 33.0 119.7 37.2 236 -1.3 0 0.0 0 0.0 0 0.0 8 13
241 A 275 LYS K H H < 5TS+ 0 0 -87.2 -68.7 -179.8 33.7 127.5 20.5 237 -0.7 0 0.0 0 0.0 0 0.0 6 14
242 A 276 TRP W T h < 5TS- 0 0 -54.0 -52.8 -179.6 -134.5 96.6 21.1 238 -2.1 0 0.0 0 0.0 0 0.0 8 17
243 A 277 GLY G S t T + 0 0 -99.8 51.4 -179.8 152.4 50.3 112.2 0 0.0 250 -2.1 0 0.0 0 0.0 10 36
247 A 281 ALA A H H > T + 0 0 -46.5 -52.4 -179.6 56.3 64.8 27.9 0 0.0 251 -2.4 0 0.0 0 0.0 9 40
248 A 282 ALA A H H > TS+ 0 0 -50.0 -58.9 -178.8 41.5 110.0 20.9 0 0.0 252 -1.7 0 0.0 0 0.0 9 34
249 A 283 SER S H H > TS+ 0 0 -62.5 -43.1 179.0 48.8 115.6 23.6 0 0.0 253 -2.4 0 0.0 0 0.0 8 41
250 A 284 THR T H H X TS+ 0 0 -66.7 -29.7 178.2 56.5 107.5 30.9 246 -2.1 254 -2.4 0 0.0 0 0.0 10 56
251 A 285 ALA A H H X TS+ 0 0 -64.5 -37.7 178.2 49.2 107.9 25.8 247 -2.4 255 -2.1 0 0.0 0 0.0 12 51
252 A 286 VAL V H H X TS+ 0 0 -64.2 -45.6 -179.7 51.3 109.2 22.0 248 -1.7 256 -2.6 0 0.0 0 0.0 9 44
253 A 287 SER S H H X TS+ 0 0 -60.5 -38.0 -179.9 51.5 109.0 27.0 249 -2.4 257 -3.1 0 0.0 0 0.0 11 50
254 A 288 ILE I H H X TS+ 0 0 -66.3 -41.9 178.5 49.8 108.8 22.5 250 -2.4 258 -2.2 0 0.0 0 0.0 12 62
255 A 289 ALA A H H X TS+ 0 0 -61.3 -40.8 179.1 49.2 112.2 24.1 251 -2.1 259 -2.3 0 0.0 0 0.0 12 57
256 A 290 ASP D H H X TS+ 0 0 -61.7 -48.8 -180.0 56.4 105.9 18.4 252 -2.6 260 -2.2 0 0.0 0 0.0 10 55
257 A 291 ALA A H H < TS+ 0 0 -48.5 -48.4 179.9 44.2 110.9 25.1 253 -3.1 0 0.0 0 0.0 0 0.0 12 66
258 A 292 ILE I H H X > TS+ 0 0 -65.1 -42.7 -179.0 54.2 110.7 25.9 254 -2.2 261 -1.3 0 0.0 262 -1.2 9 68
259 A 293 LYS K H H X 3 TS+ 0 0 -64.8 -26.4 178.8 60.8 99.7 38.7 255 -2.3 263 -0.6 0 0.0 0 0.0 11 49
260 A 294 SER S H H < 3 TS+ 0 0 -72.6 -16.4 -179.9 47.1 107.9 45.2 256 -2.2 0 0.0 0 0.0 0 0.0 13 57
261 A 295 LEU L H H 4 < TS+ 0 0 -94.3 -25.1 -178.5 37.3 118.3 44.1 258 -1.3 300 -2.9 0 0.0 0 0.0 14 52
262 A 296 VAL V H H < TS+ 0 0 -112.7 13.9 178.9 67.3 109.8 77.0 258 -1.2 0 0.0 0 0.0 0 0.0 13 43
263 A 297 THR T S h < TS- 0 0 -134.3 134.8 179.9 -102.3 92.8 176.5 259 -0.6 0 0.0 0 0.0 0 0.0 10 33
264 A 298 PRO P - 0 0 -57.7 125.5 179.9 -116.1 43.2 111.0 0 0.0 0 0.0 0 0.0 0 0.0 10 29
265 A 299 THR T - 0 0 -64.9 136.9 179.7 -104.7 34.1 113.7 296 -2.8 0 0.0 0 0.0 0 0.0 11 33
266 A 300 PRO P t > T - 0 0 -62.5 141.4 -179.1 -81.8 52.5 112.1 0 0.0 269 -2.3 0 0.0 0 0.0 6 34
267 A 301 GLU E T T 3 TS+ 0 0 -47.7 130.8 178.9 5.8 112.9 96.9 0 0.0 0 0.0 0 0.0 0 0.0 4 28
268 A 302 GLY G T T 3 TS+ 0 0 76.6 -3.7 -179.3 104.1 110.2 66.5 0 0.0 0 0.0 0 0.0 0 0.0 5 35
269 A 303 ASP D t < T - 0 0 -106.4 172.5 179.1 -174.6 45.3 123.8 266 -2.3 0 0.0 0 0.0 0 0.0 9 48
270 A 304 TRP W - 0 0 -157.5 167.3 -179.8 -129.6 17.2 166.4 0 0.0 0 0.0 0 0.0 0 0.0 14 56
271 A 305 PHE F E E DI - 294 0 -128.1 140.5 -179.8 -116.8 25.3 165.4 294 -3.1 294 -2.1 0 0.0 0 0.0 13 67
272 A 306 SER S E E DI + 293 0 -76.3 143.7 178.9 153.6 41.9 119.1 0 0.0 0 0.0 0 0.0 0 0.0 15 70
273 A 307 THR T E E DI - 292 0 -170.1 132.3 179.0 -119.4 43.6 149.5 292 -1.4 292 -1.9 0 0.0 275 -0.6 16 72
274 A 308 GLY G E E DIA + 291 162 -77.9 119.8 -179.6 157.2 51.1 132.4 162 -2.6 162 -2.0 0 0.0 0 0.0 16 78
275 A 309 VAL V E E DI - 290 0 -138.6 176.8 179.9 -62.2 48.5 146.5 290 -2.4 290 -2.1 273 -0.6 0 0.0 15 69
276 A 310 TYR Y E E DI - 289 0 -60.3 128.4 -177.1 -162.9 43.9 114.3 0 0.0 0 0.0 0 0.0 0 0.0 14 60
277 A 311 THR T e > T + 0 0 -101.7 7.9 -178.5 107.9 53.7 71.9 288 -2.5 280 -1.5 0 0.0 0 0.0 12 51
278 A 312 THR T T T 3 TS+ 0 0 -52.0 -58.1 180.0 35.9 89.0 19.3 0 0.0 0 0.0 0 0.0 0 0.0 8 31
279 A 313 GLY G T T 3 TS+ 0 0 -80.2 11.9 -178.8 143.9 88.7 69.9 0 0.0 0 0.0 0 0.0 0 0.0 5 29
280 A 314 ASN N t < T - 0 0 -54.4 137.2 -179.8 -158.8 40.0 99.7 277 -1.5 0 0.0 0 0.0 0 0.0 9 35
281 A 315 PRO P S S S+ 0 0 -93.2 -12.3 -178.2 78.1 78.9 55.4 0 0.0 0 0.0 0 0.0 0 0.0 6 29
282 A 316 TYR Y S S S- 0 0 -78.7 -0.5 179.9 -112.5 106.6 62.6 0 0.0 0 0.0 0 0.0 0 0.0 4 42
283 A 317 GLY G + 0 0 75.9 27.1 -179.8 148.7 66.0 38.5 0 0.0 0 0.0 0 0.0 0 0.0 5 37
284 A 318 ILE I - 0 0 -94.5 149.3 -179.5 -78.3 59.0 132.2 0 0.0 0 0.0 0 0.0 0 0.0 9 43
285 A 319 ALA A - 0 0 -42.7 147.0 -179.1 -130.4 54.1 91.0 0 0.0 0 0.0 0 0.0 0 0.0 8 40
286 A 320 GLU E S S S+ 0 0 -103.2 173.6 -178.9 42.9 75.1 118.7 0 0.0 0 0.0 0 0.0 0 0.0 9 39
287 A 321 ASP D S S S+ 0 0 62.0 37.1 179.5 94.3 97.6 34.2 0 0.0 0 0.0 0 0.0 0 0.0 7 49
288 A 322 ILE I S e S- 0 0 -146.4 172.6 179.0 -105.0 79.7 155.3 0 0.0 277 -2.5 0 0.0 290 -0.7 13 61
289 A 323 VAL V E E DI + 276 0 -108.2 111.4 -177.6 164.8 44.6 156.1 0 0.0 0 0.0 0 0.0 0 0.0 15 69
290 A 324 PHE F E E DI - 275 0 -126.8 141.0 179.9 -112.4 41.3 162.8 275 -2.1 275 -2.4 288 -0.7 292 -0.6 14 74
291 A 325 SER S E E DIB + 274 193 -80.0 119.6 -178.5 160.1 50.1 131.6 193 -2.3 193 -1.8 0 0.0 0 0.0 15 78
292 A 326 MET M E E DI - 273 0 -132.3 167.3 179.9 -85.8 45.7 146.1 273 -1.9 273 -1.4 290 -0.6 0 0.0 13 74
293 A 327 PRO P E E DI + 272 0 -79.9 129.3 -179.3 175.9 52.3 129.5 0 0.0 305 -1.9 0 0.0 0 0.0 13 69
294 A 328 CYS C E E DIJ - 271 304 -132.4 164.2 177.2 -162.8 19.7 151.2 271 -2.1 271 -3.1 0 0.0 0 0.0 12 64
295 A 329 ARG R E E D J - 0 303 -140.8 158.6 -177.1 -163.2 12.3 161.2 303 -2.1 303 -1.9 0 0.0 0 0.0 13 47
296 A 330 SER S - 0 0 -146.3 158.3 178.5 -133.7 32.9 167.1 0 0.0 265 -2.8 0 0.0 0 0.0 15 39
297 A 331 LYS K - 0 0 -89.5 3.3 -179.9 -106.8 62.9 70.1 0 0.0 0 0.0 0 0.0 0 0.0 12 26
298 A 332 GLY G S S S+ 0 0 77.5 25.7 -179.2 119.8 89.0 41.9 0 0.0 0 0.0 0 0.0 0 0.0 13 30
299 A 333 ASP D S S S- 0 0 -105.4 13.7 179.4 -87.3 95.3 77.5 0 0.0 0 0.0 0 0.0 0 0.0 9 31
300 A 334 GLY G S S S+ 0 0 104.1 -21.2 178.9 68.7 104.6 81.6 261 -2.9 0 0.0 0 0.0 0 0.0 9 49
301 A 335 ASP D - 0 0 -118.6 -167.4 -176.4 -158.3 60.0 119.9 0 0.0 0 0.0 0 0.0 0 0.0 11 43
302 A 336 TYR Y - 0 0 -156.3 -175.0 178.2 -137.9 11.0 151.0 0 0.0 0 0.0 0 0.0 0 0.0 10 48
303 A 337 GLU E E E DJ - 295 0 -153.9 148.9 -179.6 -97.0 36.8 165.1 295 -1.9 295 -2.1 0 0.0 0 0.0 7 47
304 A 338 LEU L E E DJ - 294 0 -68.3 160.4 179.3 -112.8 38.6 104.9 0 0.0 0 0.0 0 0.0 0 0.0 9 51
305 A 339 ALA A e - 0 0 -97.7 129.2 -180.0 -177.2 27.0 147.4 293 -1.9 0 0.0 0 0.0 0 0.0 9 46
306 A 340 THR T + 0 0 -95.8 -22.4 179.9 87.1 67.0 46.5 0 0.0 308 -2.7 0 0.0 0 0.0 5 29
307 A 341 ASP D + 0 0 -73.9 50.8 -179.8 119.2 68.1 101.3 0 0.0 0 0.0 0 0.0 0 0.0 4 32
308 A 342 VAL V - 0 0 -121.7 137.1 178.6 -152.7 51.2 162.5 306 -2.7 0 0.0 0 0.0 0 0.0 6 41
309 A 343 SER S - 0 0 -102.8 158.3 179.4 -163.1 13.4 135.0 0 0.0 0 0.0 0 0.0 0 0.0 6 34
310 A 344 ASN N + 0 0 -138.0 163.7 177.9 179.5 10.5 155.5 0 0.0 0 0.0 0 0.0 0 0.0 7 34
311 A 345 ASP D h > T - 0 0 -150.1 -179.8 -178.6 -93.4 45.7 150.5 0 0.0 315 -2.3 0 0.0 0 0.0 6 25
312 A 346 ASP D H H > TS+ 0 0 -75.1 -29.5 179.0 56.6 119.5 35.4 0 0.0 316 -1.7 0 0.0 0 0.0 6 21
313 A 347 PHE F H H > TS+ 0 0 -62.2 -55.1 -180.0 36.4 116.5 11.2 0 0.0 317 -1.3 0 0.0 0 0.0 6 29
314 A 348 LEU L H H > > TS+ 0 0 -59.5 -63.6 -179.1 51.6 115.8 10.8 0 0.0 318 -2.2 0 0.0 317 -0.9 11 41
315 A 349 TRP W H H X 3 TS+ 0 0 -48.0 -34.0 179.4 57.6 105.1 40.2 311 -2.3 319 -1.5 0 0.0 0 0.0 9 38
316 A 350 GLU E H H X 3 TS+ 0 0 -65.2 -44.2 179.9 44.6 109.2 21.0 312 -1.7 320 -2.0 0 0.0 0 0.0 8 31
317 A 351 ARG R H H X < TS+ 0 0 -66.8 -37.9 178.6 56.5 109.0 28.0 313 -1.3 321 -1.7 314 -0.9 0 0.0 10 44
318 A 352 ILE I H H X TS+ 0 0 -62.1 -31.6 -179.8 48.8 109.0 32.5 314 -2.2 322 -1.4 0 0.0 0 0.0 12 51
319 A 353 LYS K H H X TS+ 0 0 -76.6 -41.1 179.3 54.3 105.1 27.7 315 -1.5 323 -2.6 0 0.0 0 0.0 9 40
320 A 354 LYS K H H X TS+ 0 0 -61.0 -34.9 179.8 46.4 112.2 29.3 316 -2.0 324 -1.7 0 0.0 0 0.0 9 35
321 A 355 SER S H H X TS+ 0 0 -73.1 -36.3 178.9 53.4 110.4 28.2 317 -1.7 325 -2.3 0 0.0 0 0.0 13 53
322 A 356 GLU E H H X TS+ 0 0 -63.5 -37.6 179.7 53.4 106.1 30.2 318 -1.4 326 -2.4 0 0.0 0 0.0 13 50
323 A 357 ALA A H H X TS+ 0 0 -64.8 -43.4 179.8 49.7 108.2 23.1 319 -2.6 327 -2.0 0 0.0 0 0.0 8 41
324 A 358 GLU E H H X TS+ 0 0 -62.3 -43.6 -179.4 50.7 110.3 22.6 320 -1.7 328 -2.3 0 0.0 0 0.0 12 48
325 A 359 LEU L H H X TS+ 0 0 -61.5 -45.3 178.9 50.3 108.6 22.6 321 -2.3 329 -2.7 0 0.0 0 0.0 12 62
326 A 360 LEU L H H X TS+ 0 0 -59.5 -38.9 179.3 51.7 110.2 26.7 322 -2.4 330 -2.2 0 0.0 0 0.0 8 50
327 A 361 ALA A H H X TS+ 0 0 -63.7 -42.1 179.2 47.4 110.7 24.4 323 -2.0 331 -1.7 0 0.0 0 0.0 11 49
328 A 362 GLU E H H X TS+ 0 0 -64.9 -40.4 -179.5 54.5 110.1 26.0 324 -2.3 332 -0.7 0 0.0 0 0.0 14 58
329 A 363 LYS K H H < > TS+ 0 0 -61.0 -45.4 179.8 47.1 107.6 25.8 325 -2.7 332 -1.0 0 0.0 0 0.0 9 59
330 A 364 LYS K H H < > TS+ 0 0 -63.8 -36.7 -178.8 61.8 105.9 27.9 326 -2.2 333 -1.6 0 0.0 342 -1.3 12 42
331 A 365 CYS C H H < 3 TS+ 0 0 -63.4 -19.5 179.3 35.7 112.6 46.4 327 -1.7 0 0.0 0 0.0 0 0.0 15 42
332 A 366 VAL V T h X X TS+ 0 0 -123.9 29.7 -179.6 123.3 75.9 91.0 329 -1.0 335 -2.1 328 -0.7 336 -0.5 15 52
333 A 367 ALA A H H > <>T + 0 0 -59.3 -32.6 -179.9 66.2 68.4 34.9 330 -1.6 338 -1.9 0 0.0 337 -1.9 13 41
334 A 368 HIS H H H 4 35TS+ 0 0 -68.5 -3.1 179.7 43.9 105.9 59.2 0 0.0 0 0.0 0 0.0 0 0.0 10 35
335 A 369 LEU L H H 4 <5TS+ 0 0 -117.5 -8.1 179.9 45.1 114.9 62.6 332 -2.1 0 0.0 0 0.0 0 0.0 10 44
336 A 370 THR T H H < 5TS- 0 0 -109.0 -16.8 -178.9 -108.0 111.9 55.2 332 -0.5 0 0.0 0 0.0 0 0.0 11 47
337 A 371 GLY G T h < 5TS+ 0 0 93.0 23.3 -179.7 129.3 80.8 45.5 333 -1.9 0 0.0 0 0.0 0 0.0 7 33
338 A 372 GLU E S t TS+ 0 0 -86.4 -66.4 -179.4 47.3 83.1 16.3 0 0.0 349 -1.7 0 0.0 350 -0.5 7 30
348 A 382 ASP D T T 3 TS+ 0 0 -83.6 83.5 179.1 107.9 73.8 125.1 0 0.0 0 0.0 0 0.0 0 0.0 4 32
349 A 383 THR T T T 3 T + 0 0 -128.7 -11.3 179.6 120.7 42.6 67.5 347 -1.7 197 -2.9 0 0.0 0 0.0 8 42
350 A 384 MET M t < T 0 0 -59.9 133.4 178.9 999.9 999.9 109.5 347 -0.5 0 0.0 0 0.0 0 0.0 6 46
351 A 385 LEU L 0 0 -73.4 999.9 999.9 999.9 999.9 124.1 0 0.0 0 0.0 0 0.0 0 0.0 8 47
7mdhA.pdb
7MDH CHLOROPLASTIC MALATE DEHYDROGENASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand GGG EEEEEETTTSHHHHHHHHHHHTTTTT TT EEEEEE GGGHHHHHHHHHHHHTT TTEEEEEEES HHHHTTT SEEEE Kabs/Sand
chirality ---++ --------++++-+++++++++++-+++--++-------+--++++++++++++++++-+-++++++-+-+-+++++-+-+---+++---- chirality
bends SSS SS SSSSSSSSSSSSSSSSSS SS SSSSSSSSSSSSSSSSS SS S SSSSSSS S bends
turns TTTTT TTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >>3<< >3><3< >33<>33<>33< >33< >>3<< >>3<<>33< >33X3><3< 3-turns
bridge-2 bbbb cccccc dddd bridge-2
bridge-1 aaaaaa aaaaaa c*ccccc bbbb bridge-1
sheets AAAAAA AAAAAA AAAAAAA AAAA sheets
4-turns >>>><<<<>444< >>>>XXXXXX>44<< 4-turns
summary gGGGg EEEEEEeTThHHHHHHHHHHHhTTTTtTTteEEEEEEegGGhHHHHHHHHHHHHhTttTeEEEEEEEShHHHHhTTteEEEEe summary
sequence DCFGVFCTWKKLVNIAVSGAAGMISNHLLFKLASGEVFGQDQPIALKLLGSERSFQALEGVAMELEDSLYPLLREVSIGIDPYEVFEDVDWALLIGAKPR sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand TT HHHHHHHHHHHHHHHHHHHHHHS TT EEEE SSSHHHHHHHHHHT TTS GGGEEE HHHHHHHHHHHHHHTTS GGGEE EEEB SSTT E Kabs/Sand
chirality --+--++++++++++++++++++++++--++----++-++++++++++++++++--+++---++++++++++++++++-+--++++++----+-+-++-- chirality
bends SS SSSSSSSSSSSSSSSSSSSSSSS SS SSSSSSSSSSSSSS SSS SSS SSSSSSSSSSSSSSSSS SSS S SSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTT TTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >33<>33< >33< >33< >>3>3<< >33< >>3<< >33< 3-turns
bridge-2 eee A bridge-2
bridge-1 dddd eee FF GGGB G bridge-1
sheets AAAA AAA BB CCC C sheets
4-turns >>>>XXXXXXXXXXXXXXXX<<<< >>>>XXXX<<<< >>>>XXXXXXXX<<<< 4-turns
summary tTTthHHHHHHHHHHHHHHHHHHHHHHhtTTtEEEEeSShHHHHHHHHHHhtTTtgGGeEEEehHHHHHHHHHHHHHHhTtgGGeEE EEEB StTTtE summary
sequence GPGMERAALLDINGQIFADQGKALNAVASKNVKVLVVGNPCNTNALICLKNAPDIPAKNFHALTRLDENRAKCQLALKAGVFYDKVSNVTIWGNHSTTQV sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EE SS EETTEEGGGT HHHHHHHHHHHHHTHHHHHHHHTSS HHHHHHHHHHHHHHHHS TT EEEEEE TT SS SSSEEEEEEE SSS Kabs/Sand
chirality -++++----+--+++++++++++++++++++++++++++++-+--+++++++++++++++++----++---+-+--+++-+-+--++-+-+-+----+-+ chirality
bends SS SSSS SSSS SSSSSSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSS SS SS SS SSS SSS bends
turns TTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT TTTT TTTT turns
5-turns >>>55<<< >5555< 5-turns
3-turns >33<>>3<< >33< >33< >33< >33< >33< 3-turns
bridge-2 HH A B JJ bridge-2
bridge-1 GG FF HH IIIIII IIIIII bridge-1
sheets CC BB BB DDDDDD DDDDDDD sheets
4-turns >444< >>>><>XX>XX<<<< >>>>XXXXXXX5555< 5-turns
3-turns >33< >>3X<3< >33< 3-turns
bridge-2 bridge-2
bridge-1 JJ bridge-1
sheets DD sheets
4-turns >>>>XXXXXXXXXXXXXX<<44<< 4-turns
summary EEe hHHHHHHHHHHHHHHHHHHHHhHHHHhtSS tTTt summary
sequence DYELATDVSNDDFLWERIKKSEAELLAEKKCVAHLTGEGNAYCDVPEDTML sequence
310 320 330 340 350
Messages
chain break between 8(A 30 ) and 9(A 43 )