Secondary structure calculation program - copyright by David Keith Smith, 1989
6ldh-.pdb
6LDH OXIDOREDUCTASE(CHOH(D)-NAD(A)) M=4= APO-*LACTATE DEHYDROGENASE (E.C.1.1.1.27) DOGFISH (SQUALUS $ACANTHIAS) MUSCLE
Sequence length - 329
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 1 ALA A 0 0 999.9 34.2 176.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 8
2 2 THR T h > T - 0 0 -121.5 142.1 -178.2 -126.7 999.9 159.0 0 0.0 6 -2.1 0 0.0 0 0.0 5 8
3 3 LEU L H H > TS+ 0 0 -56.4 -46.2 -179.2 51.8 115.6 19.5 0 0.0 7 -1.9 0 0.0 0 0.0 6 8
4 4 LYS K H H > TS+ 0 0 -55.5 -43.2 -178.2 44.5 112.2 31.5 0 0.0 8 -2.2 0 0.0 0 0.0 6 9
5 5 ASP D H H 4 TS+ 0 0 -76.1 -26.9 -177.6 52.3 112.7 43.0 0 0.0 0 0.0 0 0.0 0 0.0 8 10
6 6 LYS K H H < TS+ 0 0 -80.5 -24.9 -172.8 31.5 121.3 40.9 2 -2.1 0 0.0 0 0.0 0 0.0 8 9
7 7 LEU L H H < TS+ 0 0 -112.9 -23.2 177.3 57.8 110.7 44.6 3 -1.9 9 -0.5 0 0.0 0 0.0 6 10
8 8 ILE I h < T + 0 0 -117.8 116.1 177.2 178.9 61.1 160.6 4 -2.2 0 0.0 0 0.0 0 0.0 6 11
9 9 GLY G - 0 0 -98.7 -171.8 -176.0 -119.2 16.7 101.9 7 -0.5 0 0.0 0 0.0 0 0.0 6 13
10 10 HIS H - 0 0 -143.4 146.2 170.8 -133.9 6.2 162.5 0 0.0 0 0.0 0 0.0 0 0.0 5 12
11 11 LEU L - 0 0 -79.3 156.8 179.6 -113.0 42.7 126.4 0 0.0 0 0.0 0 0.0 0 0.0 5 10
12 12 ALA A S S S+ 0 0 -68.6 -12.1 -172.4 55.2 98.5 58.6 0 0.0 0 0.0 0 0.0 0 0.0 4 8
13 13 THR T + 0 0 -132.2 146.0 -172.8 147.0 60.5 163.7 0 0.0 0 0.0 0 0.0 0 0.0 5 8
14 14 SER S - 0 0 -167.5 173.2 -177.6 -127.7 30.6 156.1 0 0.0 0 0.0 0 0.0 0 0.0 5 9
15 15 GLN Q - 0 0 -147.1 134.7 179.9 -87.5 36.7 171.0 0 0.0 0 0.0 0 0.0 0 0.0 4 9
16 16 GLU E - 0 0 -40.6 133.7 178.2 -81.9 60.8 86.8 0 0.0 0 0.0 0 0.0 0 0.0 4 10
17 17 PRO P - 0 0 -48.9 150.2 -157.9 -158.3 54.0 84.4 0 0.0 0 0.0 0 0.0 0 0.0 4 15
18 18 ARG R - 0 0 -149.3 131.5 175.7 -179.1 31.7 166.5 0 0.0 0 0.0 0 0.0 0 0.0 4 25
19 19 SER S + 0 0 -132.3 128.6 -179.9 164.3 13.4 174.7 0 0.0 0 0.0 0 0.0 0 0.0 7 33
20 20 TYR Y S S S+ 0 0 -116.1 -23.8 -178.9 46.4 74.5 55.8 0 0.0 0 0.0 0 0.0 0 0.0 8 33
21 21 ASN N S e S+ 0 0 -117.7 45.0 -177.5 164.9 80.0 108.0 0 0.0 47 -0.6 0 0.0 0 0.0 11 46
22 22 LYS K E E Aa - 47 0 -68.7 135.7 174.9 -171.5 15.9 113.1 0 0.0 90 -3.3 0 0.0 91 -1.1 14 57
23 23 ILE I E E Aab - 48 91 -127.1 140.8 178.1 -156.0 5.7 169.7 47 -2.6 49 -2.2 0 0.0 0 0.0 13 72
24 24 THR T E E Aab - 49 92 -120.7 136.1 176.4 -159.6 1.4 163.5 91 -3.2 93 -2.1 0 0.0 0 0.0 13 75
25 25 VAL V E E Aab - 50 93 -114.1 129.2 178.9 -155.8 5.8 161.0 49 -3.0 51 -3.1 0 0.0 27 -0.6 16 78
26 26 VAL V E E Aab + 51 94 -101.8 119.5 174.2 27.7 65.8 156.3 93 -2.8 95 -2.0 0 0.0 0 0.0 13 74
27 27 GLY G e - 0 0 108.5 116.7 -178.9 -145.3 58.4 63.8 51 -2.8 0 0.0 25 -0.6 0 0.0 14 59
28 28 VAL V + 0 0 -112.6 48.4 -179.1 117.5 61.5 104.5 0 0.0 0 0.0 0 0.0 0 0.0 14 54
29 29 GLY G S h > TS- 0 0 -86.4 -150.7 -179.6 -70.7 89.7 73.0 0 0.0 33 -1.7 0 0.0 0 0.0 8 43
30 30 ALA A H H > TS+ 0 0 -80.4 -34.9 -177.9 44.0 135.7 34.2 0 0.0 34 -0.9 0 0.0 0 0.0 9 44
31 31 VAL V H H > TS+ 0 0 -74.7 -44.6 177.1 48.6 115.6 30.2 0 0.0 35 -2.4 0 0.0 0 0.0 14 51
32 32 GLY G H H > TS+ 0 0 -66.2 -49.7 -178.3 45.0 112.1 24.5 0 0.0 36 -2.9 0 0.0 0 0.0 13 58
33 33 MET M H H X TS+ 0 0 -67.6 -24.6 -174.0 50.3 116.0 37.6 29 -1.7 37 -1.8 0 0.0 0 0.0 11 55
34 34 ALA A H H X TS+ 0 0 -75.5 -47.3 176.3 45.2 112.4 25.1 30 -0.9 38 -1.0 0 0.0 0 0.0 13 46
35 35 CYS C H H X TS+ 0 0 -61.0 -43.2 -177.1 52.7 113.7 29.1 31 -2.4 39 -1.5 0 0.0 0 0.0 15 56
36 36 ALA A H H X TS+ 0 0 -68.2 -35.8 -178.9 45.9 108.4 36.7 32 -2.9 40 -1.4 0 0.0 0 0.0 11 69
37 37 ILE I H H X TS+ 0 0 -83.4 -15.9 177.7 54.5 110.5 46.4 33 -1.8 41 -1.8 0 0.0 0 0.0 9 58
38 38 SER S H H < TS+ 0 0 -81.3 -36.2 173.1 47.1 108.5 35.9 34 -1.0 0 0.0 0 0.0 0 0.0 11 46
39 39 ILE I H H < >>TS+ 0 0 -64.3 -44.2 -175.8 48.9 114.6 22.9 35 -1.5 44 -1.3 0 0.0 42 -0.6 12 59
40 40 LEU L H H < >5TS+ 0 0 -65.8 -44.0 179.6 48.3 110.5 22.6 36 -1.4 43 -1.2 0 0.0 0 0.0 13 53
41 41 MET M T h < 35TS+ 0 0 -69.8 -9.8 -178.4 52.2 112.7 55.0 37 -1.8 0 0.0 0 0.0 0 0.0 7 37
42 42 LYS K T T <5TS- 0 0 -103.2 -13.9 -178.8 -131.2 103.5 65.2 39 -0.6 0 0.0 0 0.0 0 0.0 7 36
43 43 ASP D T T <5T + 0 0 49.1 59.9 178.6 144.1 56.2 24.1 40 -1.2 0 0.0 0 0.0 0 0.0 10 41
44 44 LEU L t T - 0 0 -85.6 89.4 176.4 -168.1 61.8 131.3 0 0.0 58 -2.4 0 0.0 0 0.0 7 30
55 55 GLU E H H > TS+ 0 0 -32.5 -71.4 -173.3 42.4 79.1 28.2 53 -1.5 59 -2.8 0 0.0 0 0.0 8 24
56 56 ASP D H H > TS+ 0 0 -50.4 -60.2 -179.1 46.5 115.9 21.7 0 0.0 60 -2.9 0 0.0 0 0.0 6 22
57 57 LYS K H H > TS+ 0 0 -55.3 -40.1 178.8 51.5 113.4 31.5 0 0.0 61 -1.3 0 0.0 0 0.0 8 27
58 58 LEU L H H X TS+ 0 0 -63.8 -51.5 -175.8 46.3 111.0 19.5 54 -2.4 62 -2.4 0 0.0 0 0.0 16 41
59 59 LYS K H H X TS+ 0 0 -60.7 -44.6 -174.4 45.6 115.6 26.4 55 -2.8 63 -1.8 0 0.0 0 0.0 9 33
60 60 GLY G H H X TS+ 0 0 -71.5 -26.4 -177.6 50.9 112.2 46.0 56 -2.9 64 -1.9 0 0.0 0 0.0 8 30
61 61 GLU E H H X TS+ 0 0 -74.5 -43.8 177.0 50.8 110.5 28.7 57 -1.3 65 -1.7 0 0.0 0 0.0 10 40
62 62 MET M H H X TS+ 0 0 -57.3 -44.4 -173.6 46.7 112.1 36.8 58 -2.4 66 -2.0 0 0.0 0 0.0 12 45
63 63 MET M H H X TS+ 0 0 -73.7 -48.5 178.5 55.8 106.0 27.3 59 -1.8 67 -2.5 0 0.0 0 0.0 8 30
64 64 ASP D H H X TS+ 0 0 -43.9 -56.2 178.8 45.8 113.2 16.5 60 -1.9 68 -0.6 0 0.0 0 0.0 8 29
65 65 LEU L H H < > TS+ 0 0 -56.4 -50.5 178.1 50.0 110.4 30.4 61 -1.7 68 -1.1 0 0.0 0 0.0 9 40
66 66 GLN Q H H < > TS+ 0 0 -59.6 -32.7 -170.6 65.5 100.3 34.9 62 -2.0 69 -2.3 0 0.0 0 0.0 8 31
67 67 HIS H H H < 3 TS+ 0 0 -66.8 -18.9 -175.1 54.9 98.5 38.9 63 -2.5 0 0.0 0 0.0 0 0.0 7 22
68 68 GLY G G h X X TS+ 0 0 -94.1 5.3 -178.3 118.6 72.0 75.5 65 -1.1 71 -2.6 64 -0.6 72 -0.6 8 25
69 69 SER S G G 4 X T + 0 0 -41.4 -52.3 173.9 60.7 67.1 33.1 66 -2.3 72 -1.8 0 0.0 0 0.0 10 28
70 70 LEU L G G 4 3 TS+ 0 0 -45.4 -32.2 -177.5 51.1 104.1 45.8 0 0.0 0 0.0 0 0.0 0 0.0 6 17
71 71 PHE F G G 4 < TS+ 0 0 -90.1 -10.5 -178.1 61.4 107.7 57.5 68 -2.6 0 0.0 0 0.0 0 0.0 5 20
72 72 LEU L g < < T - 0 0 -113.6 -179.3 179.1 -137.1 67.4 123.2 69 -1.8 0 0.0 68 -0.6 0 0.0 9 27
73 73 HIS H + 0 0 -125.7 19.6 174.3 104.6 69.9 91.4 0 0.0 75 -0.6 0 0.0 0 0.0 9 29
74 74 THR T - 0 0 -113.5 120.5 -169.4 -157.3 55.4 163.1 0 0.0 0 0.0 0 0.0 0 0.0 12 36
75 75 ALA A S S S+ 0 0 -65.2 -38.2 -173.1 31.5 70.9 38.3 73 -0.6 0 0.0 0 0.0 0 0.0 7 34
76 76 LYS K e + 0 0 -139.4 118.9 175.6 179.5 55.2 168.0 0 0.0 48 -2.1 0 0.0 0 0.0 7 45
77 77 ILE I E E Ac + 48 0 -115.2 135.2 176.4 168.6 17.9 161.6 0 0.0 0 0.0 0 0.0 0 0.0 12 53
78 78 VAL V E E Ac - 49 0 -146.5 163.1 -177.3 -158.6 18.9 165.1 48 -2.4 50 -2.9 0 0.0 0 0.0 10 51
79 79 SER S E E Ac + 50 0 -141.6 144.9 175.9 174.8 13.0 170.4 0 0.0 0 0.0 0 0.0 0 0.0 11 49
80 80 GLY G E E Ac - 51 0 -156.2 151.3 173.4 -155.2 37.0 168.5 50 -2.8 52 -0.8 0 0.0 0 0.0 13 40
81 81 LYS K S S S+ 0 0 -83.1 -30.9 179.9 76.0 92.1 49.2 0 0.0 0 0.0 0 0.0 0 0.0 10 36
82 82 ASP D S g > TS- 0 0 -84.2 149.8 -175.3 -137.5 83.3 125.9 0 0.0 85 -0.8 0 0.0 0 0.0 6 34
83 83 TYR Y G G > TS+ 0 0 -84.4 -16.5 -176.1 78.0 93.9 44.2 0 0.0 86 -2.4 0 0.0 0 0.0 11 46
84 84 SER S G G > TS+ 0 0 -65.8 -19.1 177.0 72.2 80.9 45.4 0 0.0 87 -1.2 0 0.0 0 0.0 7 35
85 85 VAL V G G < TS+ 0 0 -63.4 -18.4 -173.3 51.8 95.7 53.1 82 -0.8 0 0.0 0 0.0 0 0.0 10 45
86 86 SER S G G X TS+ 0 0 -100.9 -5.6 173.5 140.7 79.0 65.8 83 -2.4 89 -0.9 0 0.0 0 0.0 15 53
87 87 ALA A T g < T + 0 0 -42.4 97.2 166.2 17.1 67.5 105.3 84 -1.2 0 0.0 0 0.0 0 0.0 9 47
88 88 GLY G T T 3 TS+ 0 0 113.8 35.8 -170.8 159.3 79.7 43.3 0 0.0 0 0.0 0 0.0 0 0.0 10 43
89 89 SER S t < T - 0 0 -92.9 145.6 175.0 -155.4 37.2 124.4 86 -0.9 0 0.0 0 0.0 0 0.0 14 54
90 90 LYS K S e S+ 0 0 -77.0 -46.7 -174.8 21.6 86.8 33.6 22 -3.3 132 -1.4 0 0.0 0 0.0 13 57
91 91 LEU L E E Abd - 23 132 -138.4 140.1 177.1 -162.5 61.4 168.2 22 -1.1 24 -3.2 0 0.0 0 0.0 12 72
92 92 VAL V E E Abd - 24 133 -123.9 126.6 175.1 -162.6 6.2 174.8 132 -2.0 134 -3.8 0 0.0 0 0.0 13 78
93 93 VAL V E E Abd - 25 134 -106.9 122.6 176.5 -155.7 10.1 161.2 24 -2.1 26 -2.8 0 0.0 95 -0.6 11 82
94 94 ILE I E E Abd + 26 135 -108.3 123.4 -176.3 155.1 29.0 158.1 134 -2.3 136 -2.4 0 0.0 137 -1.6 12 80
95 95 THR T e + 0 0 -132.4 23.9 -177.5 113.8 37.5 94.3 26 -2.0 0 0.0 93 -0.6 0 0.0 13 66
96 96 ALA A + 0 0 -105.7 133.2 177.4 122.3 37.2 154.4 0 0.0 0 0.0 0 0.0 0 0.0 8 62
97 97 GLY G - 0 0 -173.7 174.9 179.2 -95.1 58.0 161.0 0 0.0 0 0.0 0 0.0 0 0.0 8 48
98 98 ALA A - 0 0 -95.6 157.4 -174.5 -135.3 33.3 125.5 0 0.0 0 0.0 0 0.0 0 0.0 7 43
99 99 ARG R - 0 0 -109.3 4.4 175.5 -100.0 39.0 64.6 0 0.0 0 0.0 0 0.0 0 0.0 5 37
100 100 GLN Q - 0 0 82.7 124.6 -173.1 -135.5 41.7 50.5 0 0.0 0 0.0 0 0.0 0 0.0 8 25
101 101 GLN Q t > T - 0 0 -109.6 174.7 175.1 -62.3 30.8 111.6 0 0.0 104 -2.8 0 0.0 103 -0.6 6 18
102 102 GLU E T T 3 TS+ 0 0 -57.3 105.7 174.4 1.2 126.6 117.5 0 0.0 0 0.0 0 0.0 0 0.0 4 12
103 103 GLY G T T 3 TS+ 0 0 84.2 24.0 -177.9 156.1 96.5 43.3 101 -0.6 0 0.0 0 0.0 0 0.0 4 12
104 104 GLU E t < T - 0 0 -91.7 137.0 178.7 -142.5 34.3 133.2 101 -2.8 0 0.0 0 0.0 0 0.0 8 18
105 105 SER S h > T - 0 0 -94.0 145.8 -178.2 -122.7 20.9 134.0 0 0.0 109 -2.9 0 0.0 0 0.0 7 27
106 106 ARG R H H > TS+ 0 0 -57.2 -28.3 177.5 54.3 117.7 35.7 0 0.0 110 -1.5 0 0.0 0 0.0 8 39
107 107 LEU L H H > TS+ 0 0 -66.5 -47.7 -172.8 41.6 111.8 17.6 0 0.0 111 -2.1 0 0.0 0 0.0 7 37
108 108 ASN N H H > TS+ 0 0 -74.1 -29.0 178.8 52.7 113.7 42.9 0 0.0 112 -1.5 0 0.0 0 0.0 9 32
109 109 LEU L H H X TS+ 0 0 -72.2 -35.8 -179.0 48.6 109.9 32.7 105 -2.9 113 -1.4 0 0.0 0 0.0 13 38
110 110 VAL V H H X TS+ 0 0 -73.1 -41.1 175.5 53.6 109.6 28.8 106 -1.5 114 -2.1 0 0.0 0 0.0 13 45
111 111 GLN Q H H X TS+ 0 0 -60.2 -39.5 -175.4 54.3 104.3 27.4 107 -2.1 115 -1.3 0 0.0 0 0.0 12 44
112 112 ARG R H H X TS+ 0 0 -62.1 -44.1 176.9 47.3 110.2 22.8 108 -1.5 116 -0.6 0 0.0 0 0.0 10 38
113 113 ASN N H H X > TS+ 0 0 -63.8 -38.1 175.5 61.8 103.9 33.8 109 -1.4 117 -2.9 0 0.0 116 -0.7 11 51
114 114 VAL V H H X 3 TS+ 0 0 -55.9 -36.1 -176.1 49.0 104.4 30.2 110 -2.1 118 -1.5 0 0.0 0 0.0 12 46
115 115 ASN N H H < 3 TS+ 0 0 -81.0 -21.0 176.3 44.7 113.8 51.4 111 -1.3 0 0.0 0 0.0 0 0.0 8 35
116 116 ILE I H H X X TS+ 0 0 -86.6 -40.3 -175.4 51.3 113.4 38.7 113 -0.7 120 -1.3 112 -0.6 119 -0.7 9 47
117 117 PHE F H H X 3 TS+ 0 0 -69.3 -32.4 176.8 67.4 96.4 35.5 113 -2.9 121 -1.2 0 0.0 0 0.0 11 52
118 118 LYS K H H < 3 TS+ 0 0 -55.8 -31.6 178.6 42.1 107.7 40.5 114 -1.5 0 0.0 0 0.0 0 0.0 9 36
119 119 PHE F H H 4 < TS+ 0 0 -87.7 -27.3 -175.6 42.9 119.3 35.5 116 -0.7 0 0.0 0 0.0 0 0.0 8 37
120 120 ILE I H H X > TS+ 0 0 -79.3 -74.3 -174.2 40.3 111.1 10.3 116 -1.3 124 -0.9 0 0.0 123 -0.9 8 55
121 121 ILE I H H X 3 TS+ 0 0 -50.6 -37.5 180.0 58.8 105.1 50.6 117 -1.2 125 -1.8 0 0.0 0 0.0 11 60
122 122 PRO P H H > 3 TS+ 0 0 -66.7 -34.9 -175.4 47.6 110.1 26.5 0 0.0 126 -1.1 0 0.0 0 0.0 10 39
123 123 ASN N H H > < TS+ 0 0 -77.2 -30.5 179.1 57.8 106.3 38.6 120 -0.9 127 -1.0 0 0.0 0 0.0 9 44
124 124 ILE I H H X > TS+ 0 0 -61.9 -51.4 -177.0 46.9 107.6 20.0 120 -0.9 128 -1.7 0 0.0 127 -0.5 11 57
125 125 VAL V H H < 3 TS+ 0 0 -67.3 -30.0 179.2 53.6 108.6 40.9 121 -1.8 0 0.0 0 0.0 0 0.0 11 46
126 126 LYS K H H < 3 TS+ 0 0 -74.5 -29.2 -179.7 37.7 117.1 46.8 122 -1.1 0 0.0 0 0.0 0 0.0 7 32
127 127 HIS H H H < < TS+ 0 0 -93.7 -20.1 -176.0 36.6 128.3 52.4 123 -1.0 0 0.0 124 -0.5 0 0.0 11 37
128 128 SER S h < > T + 0 0 -139.7 79.3 -179.6 168.7 63.8 139.5 124 -1.7 131 -0.8 0 0.0 0 0.0 12 46
129 129 PRO P T T 3 TS+ 0 0 -64.5 -32.6 -175.9 41.9 82.1 41.9 0 0.0 0 0.0 0 0.0 0 0.0 7 36
130 130 ASP D T T 3 TS+ 0 0 -105.6 16.3 -179.3 121.7 87.8 82.2 0 0.0 0 0.0 0 0.0 0 0.0 8 40
131 131 CYS C t < T - 0 0 -74.8 164.7 170.0 -137.7 54.3 102.2 128 -0.8 0 0.0 0 0.0 0 0.0 12 57
132 132 ILE I E E Ad - 91 0 -111.8 142.0 -179.9 -133.5 23.5 159.2 90 -1.4 92 -2.0 0 0.0 0 0.0 12 66
133 133 ILE I E E Ade - 92 158 -106.1 138.3 176.9 -167.8 16.1 151.7 157 -3.7 159 -2.6 0 0.0 135 -0.6 11 73
134 134 LEU L E E Ade - 93 159 -120.2 108.2 -179.3 -157.8 9.9 155.0 92 -3.8 94 -2.3 0 0.0 136 -0.7 12 89
135 135 VAL V E E Ade + 94 160 -93.0 117.7 173.0 160.9 26.1 131.2 159 -3.2 161 -3.3 133 -0.6 0 0.0 15 74
136 136 VAL V e + 0 0 -94.1 -33.6 -177.9 115.0 41.7 33.9 94 -2.4 0 0.0 134 -0.7 0 0.0 11 74
137 137 SER S - 0 0 -45.2 137.0 -178.0 -93.7 69.8 87.4 94 -1.6 0 0.0 0 0.0 0 0.0 10 69
138 138 ASN N S S S+ 0 0 -102.1 148.2 -4.7 47.0 112.9 136.5 0 0.0 0 0.0 0 0.0 0 0.0 7 66
139 139 PRO P S h > TS- 0 0 -65.5 123.6 -166.7 -177.1 84.5 63.6 0 0.0 143 -2.3 0 0.0 0 0.0 8 63
140 140 VAL V H H > T + 0 0 -73.8 -41.1 -179.1 50.9 69.8 29.0 0 0.0 144 -2.3 0 0.0 0 0.0 14 69
141 141 ASP D H H > TS+ 0 0 -62.2 -39.1 178.2 39.9 117.7 36.1 0 0.0 145 -0.9 0 0.0 0 0.0 15 70
142 142 VAL V H H > TS+ 0 0 -79.2 -36.5 -174.9 50.3 115.8 31.1 0 0.0 146 -1.7 0 0.0 0 0.0 11 69
143 143 LEU L H H X TS+ 0 0 -73.2 -25.4 177.1 55.4 108.1 30.5 139 -2.3 147 -1.8 0 0.0 0 0.0 14 70
144 144 THR T H H X TS+ 0 0 -67.5 -39.8 -178.5 48.8 107.2 25.1 140 -2.3 148 -2.4 0 0.0 0 0.0 14 69
145 145 TYR Y H H X TS+ 0 0 -66.2 -38.9 -178.1 51.1 110.6 32.5 141 -0.9 149 -2.6 0 0.0 0 0.0 11 67
146 146 VAL V H H X TS+ 0 0 -65.5 -40.0 -172.6 48.0 110.3 33.2 142 -1.7 150 -2.4 0 0.0 0 0.0 10 64
147 147 ALA A H H X TS+ 0 0 -73.7 -44.3 171.3 51.2 111.8 25.1 143 -1.8 151 -1.9 0 0.0 0 0.0 12 66
148 148 TRP W H H X >TS+ 0 0 -46.6 -64.8 175.1 41.4 115.6 11.4 144 -2.4 152 -1.8 0 0.0 153 -0.6 11 55
149 149 LYS K H H < 5TS+ 0 0 -56.8 -37.7 -176.0 49.7 114.8 35.0 145 -2.6 0 0.0 0 0.0 0 0.0 8 50
150 150 LEU L H H < 5TS+ 0 0 -81.6 -21.7 -172.9 43.3 114.8 41.0 146 -2.4 0 0.0 0 0.0 0 0.0 10 42
151 151 SER S H H < 5TS- 0 0 -92.1 -56.6 177.6 -135.0 89.3 18.0 147 -1.9 0 0.0 0 0.0 0 0.0 9 42
152 152 GLY G T h < 5T + 0 0 104.1 23.6 -177.3 151.6 50.2 54.7 148 -1.8 0 0.0 0 0.0 0 0.0 6 31
153 153 LEU L t T - 0 0 -49.9 144.9 -175.7 -112.9 45.2 111.4 0 0.0 157 -1.6 0 0.0 0 0.0 6 34
155 155 MET M G G > TS+ 0 0 -61.9 -19.3 -175.0 64.0 113.7 52.4 0 0.0 158 -0.9 0 0.0 0 0.0 7 44
156 156 HIS H G G 3 TS+ 0 0 -81.6 -14.2 -178.3 58.9 94.6 51.0 0 0.0 297 -2.6 0 0.0 0 0.0 11 51
157 157 ARG R G e < TS+ 0 0 -99.9 17.8 -179.7 82.3 92.7 82.9 154 -1.6 133 -3.7 0 0.0 0 0.0 12 56
158 158 ILE I E E Ae < T + 133 0 -134.2 108.8 -179.3 171.3 58.8 163.4 155 -0.9 0 0.0 0 0.0 0 0.0 17 68
159 159 ILE I E E Ae - 134 0 -122.1 142.2 176.5 -147.7 21.3 161.2 133 -2.6 135 -3.2 0 0.0 0 0.0 15 76
160 160 GLY G E E AeA - 135 271 -112.1 129.5 175.5 -131.0 23.2 153.4 271 -1.6 271 -3.1 0 0.0 0 0.0 13 70
161 161 SER S e > T + 0 0 -39.5 -42.2 175.6 152.4 61.6 31.2 135 -3.3 164 -1.8 0 0.0 0 0.0 13 78
162 162 GLY G T T 3 T - 0 0 51.2 -122.6 -175.0 -16.1 62.3 97.7 0 0.0 0 0.0 0 0.0 0 0.0 15 69
163 163 CYS C T h > 3 TS+ 0 0 -102.8 14.2 176.8 103.7 100.4 84.9 0 0.0 167 -1.3 0 0.0 0 0.0 16 65
164 164 ASN N H H > X TS+ 0 0 -61.5 -53.6 -171.2 44.8 84.5 10.4 161 -1.8 168 -2.6 0 0.0 167 -0.7 11 66
165 165 LEU L H H > 3 TS+ 0 0 -64.7 -42.8 175.7 54.1 111.0 26.2 0 0.0 169 -1.4 0 0.0 0 0.0 11 70
166 166 ASP D H H > 3 TS+ 0 0 -53.7 -38.6 -179.4 47.6 109.9 40.6 0 0.0 170 -1.6 0 0.0 0 0.0 11 68
167 167 SER S H H X < TS+ 0 0 -72.2 -46.6 171.9 54.6 107.9 27.1 163 -1.3 171 -3.2 164 -0.7 0 0.0 12 64
168 168 ALA A H H X TS+ 0 0 -51.9 -34.3 -180.0 47.5 111.4 40.0 164 -2.6 172 -1.3 0 0.0 0 0.0 10 54
169 169 ARG R H H X TS+ 0 0 -78.2 -41.0 -177.1 49.0 110.7 32.5 165 -1.4 173 -3.2 0 0.0 0 0.0 9 57
170 170 PHE F H H X TS+ 0 0 -65.0 -53.1 173.1 49.3 112.0 11.6 166 -1.6 174 -3.4 0 0.0 0 0.0 14 56
171 171 ARG R H H X TS+ 0 0 -51.6 -46.3 176.2 50.7 111.1 28.1 167 -3.2 175 -1.9 0 0.0 0 0.0 13 50
172 172 TYR Y H H X TS+ 0 0 -54.9 -55.4 -176.8 46.9 111.6 17.2 168 -1.3 176 -1.6 0 0.0 0 0.0 10 42
173 173 LEU L H H X TS+ 0 0 -62.0 -38.9 172.4 50.7 111.5 28.8 169 -3.2 177 -1.7 0 0.0 0 0.0 11 43
174 174 MET M H H X TS+ 0 0 -53.6 -49.8 -179.2 53.0 109.7 22.5 170 -3.4 178 -4.1 0 0.0 0 0.0 11 48
175 175 GLY G H H X >TS+ 0 0 -52.3 -40.8 -174.5 48.7 106.9 33.9 171 -1.9 179 -3.6 0 0.0 180 -0.6 12 30
176 176 GLU E H H < 5TS+ 0 0 -73.9 -42.5 173.7 43.9 116.7 25.7 172 -1.6 0 0.0 0 0.0 0 0.0 10 26
177 177 ARG R H H < 5TS+ 0 0 -65.9 -42.0 178.7 39.1 122.3 38.5 173 -1.7 0 0.0 0 0.0 0 0.0 6 31
178 178 LEU L H H < 5TS- 0 0 -90.9 -32.0 175.6 -126.4 99.2 27.0 174 -4.1 0 0.0 0 0.0 0 0.0 6 29
179 179 GLY G T h < 5TS+ 0 0 104.2 11.1 178.8 106.8 73.9 63.2 175 -3.6 0 0.0 0 0.0 0 0.0 6 19
180 180 VAL V S t > T - 0 0 -60.6 150.1 -176.4 -113.5 37.8 105.9 0 0.0 184 -2.5 0 0.0 185 -1.0 9 23
182 182 SER S T T 4 3 TS+ 0 0 -57.0 -18.6 -173.3 60.6 115.7 45.1 0 0.0 0 0.0 0 0.0 0 0.0 13 32
183 183 CYS C T T 4 3 TS+ 0 0 -93.2 -7.0 172.7 50.7 100.9 60.5 0 0.0 0 0.0 0 0.0 0 0.0 6 34
184 184 SER S T e 4 < TS+ 0 0 -95.2 -17.2 178.2 80.4 98.4 50.1 181 -2.5 207 -0.8 0 0.0 0 0.0 8 30
185 185 CYS C E E TS- 0 0 128.7 -123.8 -172.4 -2.1 122.4 164.1 0 0.0 197 -0.7 0 0.0 0 0.0 6 55
195 195 ASP D T T 3 TS+ 0 0 -83.9 -26.4 -174.9 55.2 130.1 47.8 0 0.0 0 0.0 0 0.0 0 0.0 5 42
196 196 SER S T T 3 TS+ 0 0 -99.6 34.2 178.5 135.1 79.3 98.4 0 0.0 192 -0.8 0 0.0 0 0.0 9 46
197 197 VAL V t < T - 0 0 -92.7 122.4 174.3 -135.6 50.2 144.4 194 -0.7 199 -0.5 0 0.0 0 0.0 11 58
198 198 PRO P - 0 0 -80.9 122.2 178.8 -151.6 8.4 129.3 0 0.0 190 -2.8 0 0.0 200 -0.7 11 57
199 199 SER S B B B - 189 0 -92.7 108.5 -177.6 -140.0 13.4 140.1 197 -0.5 201 -1.9 0 0.0 0 0.0 9 61
200 200 VAL V g > > T - 0 0 -72.5 85.3 -175.8 -179.8 24.7 122.9 188 -2.4 203 -2.0 198 -0.7 204 -0.6 12 58
201 201 TRP W G G 4 > TS+ 0 0 -56.2 -35.3 -174.6 59.4 75.0 38.3 199 -1.9 204 -0.6 0 0.0 0 0.0 9 52
202 202 SER S G G 4 3 TS+ 0 0 -81.2 3.7 177.6 53.9 99.1 73.4 0 0.0 0 0.0 0 0.0 0 0.0 7 41
203 203 GLY G G G 4 < TS+ 0 0 -110.5 -11.2 178.2 118.7 78.8 64.6 200 -2.0 0 0.0 0 0.0 0 0.0 9 41
204 204 MET M e < < T + 0 0 -58.1 132.3 -176.9 140.5 39.7 103.7 200 -0.6 211 -2.1 201 -0.6 0 0.0 13 49
205 205 ASN N E E BFG - 186 210 -169.5 165.6 -179.9 -140.2 45.7 175.2 186 -2.2 186 -2.1 0 0.0 0 0.0 11 40
206 206 VAL V E E BFG> TS- 185 209 -136.5 117.4 -179.6 -12.0 93.1 173.2 209 -1.3 209 -2.2 0 0.0 0 0.0 10 33
207 207 ALA A T e 3 TS- 0 0 72.2 -19.3 176.8 -51.7 132.5 82.4 184 -0.8 0 0.0 0 0.0 0 0.0 6 24
208 208 SER S T T 3 TS+ 0 0 136.2 3.4 -175.6 130.3 107.0 73.5 0 0.0 210 -0.6 0 0.0 0 0.0 5 18
209 209 ILE I E E BG < T - 206 0 -90.9 120.7 -174.9 -133.7 56.0 139.9 206 -2.2 206 -1.3 0 0.0 0 0.0 6 23
210 210 LYS K E E >BG T - 205 0 -78.1 120.3 -176.8 -154.6 5.5 124.4 208 -0.6 214 -1.4 0 0.0 0 0.0 11 26
211 211 LEU L H H > > TS+ 0 0 -56.8 -45.6 -175.7 62.6 94.3 18.4 204 -2.1 215 -2.6 0 0.0 214 -0.9 12 38
212 212 HIS H H H 4 3 TS+ 0 0 -46.7 -39.6 -175.8 46.2 103.4 40.8 0 0.0 0 0.0 0 0.0 0 0.0 11 32
213 213 PRO P H H 4 3 TS+ 0 0 -77.6 -30.7 177.9 43.9 117.9 37.7 0 0.0 0 0.0 0 0.0 0 0.0 7 20
214 214 LEU L H H < < TS+ 0 0 -79.5 -40.4 -167.3 59.8 101.2 33.0 210 -1.4 0 0.0 211 -0.9 0 0.0 7 21
215 215 ASP D S h < TS- 0 0 -81.8 14.6 -172.7 -98.5 120.7 75.2 211 -2.6 0 0.0 0 0.0 0 0.0 7 25
216 216 GLY G S S S- 0 0 90.2 -26.5 -178.8 -72.1 86.1 97.1 0 0.0 0 0.0 0 0.0 0 0.0 6 19
217 217 THR T - 0 0 143.7 -158.6 162.3 -138.2 57.2 151.5 0 0.0 0 0.0 0 0.0 0 0.0 8 22
218 218 ASN N + 0 0 153.5 130.5 -179.0 101.3 55.5 106.9 0 0.0 0 0.0 0 0.0 0 0.0 12 27
219 219 LYS K S S S+ 0 0 -161.7 -51.0 -178.6 53.1 86.8 84.4 0 0.0 0 0.0 0 0.0 0 0.0 7 33
220 220 ASP D S S S- 0 0 -116.2 125.1 -173.7 -17.6 108.8 162.8 0 0.0 0 0.0 0 0.0 0 0.0 5 23
221 221 LYS K S S S+ 0 0 23.0 108.9 170.8 78.7 88.3 28.3 0 0.0 0 0.0 0 0.0 0 0.0 7 16
222 222 GLN Q S S S- 0 0 158.4 82.5 -179.4 -75.9 96.9 86.1 0 0.0 0 0.0 0 0.0 0 0.0 6 17
223 223 ASP D S S S+ 0 0 6.6 95.5 178.4 90.8 103.0 54.4 0 0.0 0 0.0 0 0.0 0 0.0 5 21
224 224 TRP W S t > TS+ 0 0 -161.8 -41.4 172.1 75.7 72.1 86.6 0 0.0 227 -2.7 0 0.0 0 0.0 8 35
225 225 LYS K T h > > TS+ 0 0 -46.6 -34.1 -178.8 74.1 82.6 36.0 0 0.0 228 -2.4 0 0.0 229 -0.7 11 36
226 226 LYS K H H > > TS+ 0 0 -49.8 -31.3 -167.5 76.1 77.1 40.5 0 0.0 230 -1.9 0 0.0 229 -0.5 7 32
227 227 LEU L H H 4 < TS+ 0 0 -61.9 -19.0 -174.0 45.4 97.1 44.4 224 -2.7 0 0.0 0 0.0 0 0.0 10 46
228 228 HIS H H H > < TS+ 0 0 -94.8 -31.5 -179.5 57.8 105.9 37.4 225 -2.4 232 -1.5 0 0.0 0 0.0 9 52
229 229 LYS K H H X < TS+ 0 0 -67.5 -42.4 -177.4 41.0 110.1 32.8 225 -0.7 233 -1.7 226 -0.5 0 0.0 9 36
230 230 ASP D H H X TS+ 0 0 -96.3 2.5 168.6 67.3 104.6 65.2 226 -1.9 234 -0.8 0 0.0 0 0.0 9 37
231 231 VAL V H H 4 TS+ 0 0 -71.1 -48.3 176.4 28.5 116.3 25.2 0 0.0 0 0.0 0 0.0 0 0.0 12 48
232 232 VAL V H H < TS+ 0 0 -79.1 -27.8 -177.3 40.1 131.7 43.0 228 -1.5 0 0.0 0 0.0 0 0.0 11 44
233 233 ASP D H H X > TS+ 0 0 -84.1 -61.1 177.1 63.0 102.0 26.0 229 -1.7 236 -5.4 0 0.0 237 -2.7 8 29
234 234 SER S H H X 3 TS+ 0 0 -44.4 -17.5 174.6 65.1 99.7 49.3 230 -0.8 238 -1.3 0 0.0 0 0.0 9 33
235 235 ALA A H H > 3 TS+ 0 0 -77.6 -28.8 178.9 39.3 104.2 50.9 0 0.0 239 -0.9 0 0.0 0 0.0 9 39
236 236 TYR Y H H > < TS+ 0 0 -90.0 -26.5 -179.2 65.1 109.1 48.5 233 -5.4 240 -3.0 0 0.0 0 0.0 8 28
237 237 GLU E H H X TS+ 0 0 -55.7 -49.2 179.9 51.7 99.3 23.0 233 -2.7 241 -0.8 0 0.0 0 0.0 8 23
238 238 VAL V H H X > TS+ 0 0 -50.8 -67.1 168.9 44.4 111.7 19.1 234 -1.3 242 -3.6 0 0.0 241 -1.3 11 25
239 239 ILE I H H X 3 TS+ 0 0 -42.9 -56.9 175.9 55.5 109.3 28.1 235 -0.9 243 -1.9 0 0.0 0 0.0 10 22
240 240 LYS K H H < 3 TS+ 0 0 -49.6 -22.5 -173.8 35.9 120.3 43.2 236 -3.0 0 0.0 0 0.0 0 0.0 8 15
241 241 LEU L H H < < TS+ 0 0 -99.5 -49.4 -176.0 17.3 134.5 30.9 238 -1.3 0 0.0 237 -0.8 0 0.0 6 13
242 242 LYS K H H < TS- 0 0 -103.1 -26.8 -178.4 -118.9 95.6 45.3 238 -3.6 0 0.0 0 0.0 0 0.0 7 16
243 243 GLY G S h < TS+ 0 0 92.2 9.0 173.3 17.3 83.7 57.3 239 -1.9 0 0.0 0 0.0 0 0.0 7 17
244 244 TYR Y S S S- 0 0 174.8 172.9 174.1 -111.6 71.2 158.2 0 0.0 0 0.0 0 0.0 0 0.0 8 30
245 245 THR T + 0 0 -122.9 136.7 -179.9 126.2 47.0 169.1 0 0.0 0 0.0 0 0.0 0 0.0 11 39
246 246 SER S h > T + 0 0 -148.3 -47.8 -171.7 65.5 56.1 56.8 0 0.0 250 -3.1 0 0.0 0 0.0 10 42
247 247 TRP W H H > TS+ 0 0 -60.7 -54.0 -173.1 39.9 105.9 23.9 0 0.0 251 -2.2 0 0.0 0 0.0 8 37
248 248 ALA A H H > TS+ 0 0 -72.3 -34.6 178.8 51.5 118.1 34.8 0 0.0 252 -2.2 0 0.0 0 0.0 8 46
249 249 ILE I H H > TS+ 0 0 -64.6 -61.9 177.4 48.1 108.5 16.1 0 0.0 253 -2.0 0 0.0 0 0.0 12 55
250 250 GLY G H H X > TS+ 0 0 -43.7 -52.2 -173.0 47.8 114.5 21.6 246 -3.1 254 -1.8 0 0.0 253 -0.6 15 52
251 251 LEU L H H X 3 TS+ 0 0 -59.8 -46.0 173.8 55.8 107.7 24.5 247 -2.2 255 -2.2 0 0.0 0 0.0 11 43
252 252 SER S H H X 3 TS+ 0 0 -44.9 -44.5 -173.2 47.7 109.1 29.0 248 -2.2 256 -1.1 0 0.0 0 0.0 11 58
253 253 VAL V H H X < TS+ 0 0 -77.2 -37.2 176.4 53.5 106.7 33.8 249 -2.0 257 -2.2 250 -0.6 0 0.0 10 68
254 254 ALA A H H X TS+ 0 0 -63.2 -34.8 175.8 58.8 104.7 33.2 250 -1.8 258 -2.6 0 0.0 0 0.0 12 61
255 255 ASP D H H X TS+ 0 0 -55.2 -45.7 177.5 42.3 110.1 23.8 251 -2.2 259 -1.4 0 0.0 0 0.0 8 56
256 256 LEU L H H X TS+ 0 0 -68.4 -38.0 -178.7 53.1 112.0 32.3 252 -1.1 260 -2.0 0 0.0 0 0.0 9 68
257 257 ALA A H H X TS+ 0 0 -71.3 -30.4 -177.3 54.6 105.9 35.4 253 -2.2 261 -2.7 0 0.0 0 0.0 11 69
258 258 GLU E H H X TS+ 0 0 -69.6 -49.7 173.3 47.3 108.8 17.0 254 -2.6 262 -2.6 0 0.0 0 0.0 11 48
259 259 THR T H H < >TS+ 0 0 -45.8 -58.2 -176.3 41.3 118.2 17.8 255 -1.4 264 -2.5 0 0.0 0 0.0 14 46
260 260 ILE I H H < >5TS+ 0 0 -59.7 -55.9 -177.8 44.3 118.5 21.1 256 -2.0 263 -0.8 0 0.0 0 0.0 14 53
261 261 MET M H H < 35TS+ 0 0 -61.5 -35.5 -174.9 43.1 118.7 39.0 257 -2.7 0 0.0 0 0.0 0 0.0 12 48
262 262 LYS K T h < 35TS- 0 0 -99.9 9.6 177.1 -125.6 107.9 69.3 258 -2.6 0 0.0 0 0.0 0 0.0 8 35
263 263 ASN N T T <5T + 0 0 53.9 46.8 -174.8 161.1 51.5 31.8 260 -0.8 0 0.0 0 0.0 0 0.0 10 31
264 264 LEU L t T + 0 0 -111.6 20.3 179.8 151.4 21.2 91.0 284 -2.0 277 -1.2 272 -0.5 0 0.0 12 55
275 275 LYS K T T 3 TS+ 0 0 -62.9 122.0 -178.0 4.6 73.7 118.4 0 0.0 0 0.0 0 0.0 0 0.0 11 38
276 276 ASP D T T 3 TS+ 0 0 57.0 47.8 175.9 116.8 101.4 40.3 280 -4.0 0 0.0 0 0.0 0 0.0 8 27
277 277 PHE F S t < TS+ 0 0 -132.2 99.5 173.0 3.2 86.6 160.0 274 -1.2 0 0.0 0 0.0 0 0.0 6 40
278 278 TYR Y S S S- 0 0 84.4 29.4 176.0 -60.1 133.6 41.7 0 0.0 0 0.0 0 0.0 0 0.0 8 40
279 279 GLY G S S S+ 0 0 71.7 21.9 176.9 148.1 93.5 54.0 0 0.0 0 0.0 0 0.0 0 0.0 7 31
280 280 ILE I - 0 0 -84.0 126.6 -173.7 -175.8 23.7 136.4 0 0.0 276 -4.0 0 0.0 0 0.0 10 35
281 281 LYS K + 0 0 -104.3 -15.7 -176.7 58.8 50.5 43.8 0 0.0 0 0.0 0 0.0 0 0.0 6 26
282 282 ASP D S S S- 0 0 -116.3 178.2 -177.7 -75.3 94.1 121.9 0 0.0 284 -1.3 0 0.0 0 0.0 8 32
283 283 ASN N S S S+ 0 0 -72.3 78.4 -178.1 139.2 71.2 122.0 0 0.0 0 0.0 0 0.0 0 0.0 9 45
284 284 VAL V e - 0 0 -132.0 136.5 174.5 -145.7 41.2 171.2 282 -1.3 274 -2.0 0 0.0 0 0.0 13 54
285 285 PHE F E E CH + 273 0 -102.1 131.4 174.1 147.5 31.7 149.2 0 0.0 0 0.0 0 0.0 0 0.0 14 69
286 286 LEU L E E CH - 272 0 -153.8 173.8 -176.8 -72.0 49.4 157.9 272 -2.0 272 -2.7 0 0.0 0 0.0 16 79
287 287 SER S E E CHC + 271 191 -90.6 141.3 177.6 153.3 49.7 127.5 191 -2.4 191 -1.9 0 0.0 0 0.0 14 75
288 288 LEU L E E CH - 270 0 -148.0 150.3 175.0 -87.7 56.3 146.5 270 -1.4 270 -1.5 0 0.0 290 -0.6 14 63
289 289 PRO P E E CH - 269 0 -68.9 112.1 -177.9 -173.8 55.9 131.2 0 0.0 301 -3.0 0 0.0 0 0.0 12 57
290 290 CYS C E E CHI - 268 300 -113.1 144.7 165.7 -130.3 26.8 151.4 268 -3.4 268 -2.8 288 -0.6 0 0.0 14 52
291 291 VAL V E E CHI - 267 299 -82.0 133.3 175.7 -156.9 32.0 147.0 299 -1.6 298 -2.0 0 0.0 299 -1.2 13 42
292 292 LEU L E E CHI + 266 297 -116.9 143.9 170.0 158.6 21.8 153.7 266 -1.9 265 -3.1 0 0.0 266 -0.7 17 48
293 293 ASN N E E C I> T - 0 296 -137.6 -164.7 -172.6 -68.3 61.9 134.8 296 -2.1 296 -1.6 0 0.0 0 0.0 15 40
294 294 ASP D T T 3 TS+ 0 0 -73.4 -8.6 178.0 55.0 128.6 60.4 0 0.0 0 0.0 0 0.0 0 0.0 9 44
295 295 HIS H T T 3 TS- 0 0 -104.6 12.6 -179.0 -110.6 114.8 86.6 0 0.0 0 0.0 0 0.0 0 0.0 10 42
296 296 GLY G E E CI < TS+ 293 0 94.5 -122.9 -177.5 22.7 85.6 143.6 293 -1.6 293 -2.1 0 0.0 298 -0.8 12 55
297 297 ILE I E E CI + 292 0 -83.2 106.1 176.4 173.2 56.1 132.8 156 -2.6 0 0.0 0 0.0 0 0.0 13 55
298 298 SER S E E C* - 0 0 -81.7 -29.3 -176.2 -16.7 62.6 39.4 291 -2.0 0 0.0 296 -0.8 0 0.0 11 38
299 299 ASN N E E CI - 291 0 -165.6 171.7 177.0 -114.6 57.9 163.8 291 -1.2 291 -1.6 0 0.0 0 0.0 7 38
300 300 ILE I E E CI - 290 0 -124.0 139.9 175.7 -133.1 20.6 161.6 0 0.0 302 -0.8 0 0.0 0 0.0 9 38
301 301 VAL V e - 0 0 -92.5 107.0 179.9 -139.1 24.1 147.8 289 -3.0 303 -1.3 0 0.0 0 0.0 8 33
302 302 LYS K - 0 0 -72.1 97.8 180.0 -162.3 20.3 121.0 300 -0.8 0 0.0 0 0.0 0 0.0 5 36
303 303 MET M - 0 0 -75.4 166.1 175.3 -130.9 18.7 115.0 301 -1.3 305 -0.6 0 0.0 0 0.0 4 40
304 304 LYS K - 0 0 -116.2 85.8 179.8 -176.1 37.5 161.9 0 0.0 0 0.0 0 0.0 0 0.0 4 29
305 305 LEU L - 0 0 -87.7 159.7 172.7 -115.2 25.7 118.8 303 -0.6 0 0.0 0 0.0 0 0.0 7 34
306 306 LYS K h > T - 0 0 -82.9 165.2 177.3 -110.8 31.6 117.2 0 0.0 310 -3.3 0 0.0 0 0.0 6 25
307 307 PRO P H H > TS+ 0 0 -61.3 -38.9 -179.6 62.0 120.0 32.1 0 0.0 311 -3.1 0 0.0 0 0.0 6 22
308 308 ASN N H H > TS+ 0 0 -49.9 -47.9 176.9 37.5 113.2 26.9 0 0.0 312 -1.2 0 0.0 0 0.0 6 26
309 309 GLU E H H > TS+ 0 0 -71.2 -58.2 -179.1 46.8 116.7 27.3 0 0.0 313 -1.3 0 0.0 0 0.0 10 37
310 310 GLU E H H X TS+ 0 0 -67.5 -25.9 178.3 59.2 109.1 35.3 306 -3.3 314 -2.0 0 0.0 0 0.0 10 38
311 311 GLN Q H H X TS+ 0 0 -60.6 -57.0 176.0 46.3 106.4 15.1 307 -3.1 315 -2.1 0 0.0 0 0.0 8 32
312 312 GLN Q H H X TS+ 0 0 -50.7 -34.8 -176.9 56.4 109.6 41.2 308 -1.2 316 -0.8 0 0.0 0 0.0 10 38
313 313 LEU L H H X > TS+ 0 0 -66.6 -49.8 177.3 47.2 107.3 25.3 309 -1.3 317 -1.3 0 0.0 316 -0.5 12 54
314 314 GLN Q H H X 3 TS+ 0 0 -63.9 -40.4 176.7 61.4 103.7 38.3 310 -2.0 318 -1.5 0 0.0 0 0.0 11 41
315 315 LYS K H H X 3 TS+ 0 0 -63.1 -25.7 176.6 47.8 106.4 41.6 311 -2.1 319 -1.5 0 0.0 0 0.0 8 39
316 316 SER S H H X < TS+ 0 0 -74.8 -42.2 -171.9 54.2 107.9 25.1 312 -0.8 320 -2.3 313 -0.5 0 0.0 11 52
317 317 ALA A H H X TS+ 0 0 -62.5 -30.4 -177.5 44.6 112.2 38.9 313 -1.3 321 -1.2 0 0.0 0 0.0 13 50
318 318 THR T H H X TS+ 0 0 -77.0 -58.3 171.1 49.9 112.2 18.0 314 -1.5 322 -1.5 0 0.0 0 0.0 8 36
319 319 THR T H H X TS+ 0 0 -50.5 -35.8 178.7 45.2 115.4 44.1 315 -1.5 323 -0.8 0 0.0 0 0.0 8 38
320 320 LEU L H H X TS+ 0 0 -81.0 -37.1 -176.9 52.7 109.3 32.5 316 -2.3 324 -1.4 0 0.0 0 0.0 10 51
321 321 TRP W H H < TS+ 0 0 -68.7 -27.2 -179.6 58.9 105.5 39.4 317 -1.2 0 0.0 0 0.0 0 0.0 11 39
322 322 ASP D H H < TS+ 0 0 -67.5 -44.8 177.8 49.5 102.8 32.5 318 -1.5 0 0.0 0 0.0 0 0.0 7 32
323 323 ILE I H H < TS+ 0 0 -62.4 -41.0 -179.3 92.4 86.9 32.9 319 -0.8 325 -3.5 0 0.0 0 0.0 10 38
324 324 GLN Q h < T + 0 0 -66.4 74.2 178.3 104.3 51.3 102.8 320 -1.4 0 0.0 0 0.0 0 0.0 6 41
325 325 LYS K + 0 0 -148.4 39.7 -170.3 152.8 60.1 104.8 323 -3.5 0 0.0 0 0.0 0 0.0 6 31
326 326 ASP D + 0 0 -92.5 152.1 175.5 85.0 16.2 119.9 0 0.0 0 0.0 0 0.0 0 0.0 9 35
327 327 LEU L S S S+ 0 0 101.5 77.1 -179.5 9.8 93.0 44.2 0 0.0 0 0.0 0 0.0 0 0.0 6 29
328 328 LYS K 0 0 69.8 153.3 -178.9 999.9 999.9 47.4 0 0.0 0 0.0 0 0.0 0 0.0 4 21
329 329 PHE F 0 0 74.3 999.9 999.9 999.9 999.9 94.5 0 0.0 0 0.0 0 0.0 0 0.0 6 19
6ldh-.pdb
6LDH OXIDOREDUCTASE(CHOH(D)-NAD(A)) M=4= APO-*LACTATE DEHYDROGENASE (E.C.1.1.1.27) DOGFISH (SQUALUS $ACANTHIAS) MUSCLE
author author
Kabs/Sand HHHHH S SSEEEEE SHHHHHHHHHHHTTT SEEEEE S HHHHHHHHHHHHHGGGG S EEEESSGGGGTT SEEEE Kabs/Sand
chirality -++++++---++-----+++----+-+-++++++++++++-++-+----+-+-+++++++++++++++++-+-+++-+-+-++++++-+---+++---- chirality
bends SSSSS S SS SSSSSSSSSSSSSS S S SSSSSSSSSSSSSS SS S SSSSSS S S bends
turns TTTTTTT TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTTTTTT turns
5-turns >5555< 5-turns
3-turns >>3<< >>3XX3<< >>>>>4<<< >>>>XXXXX<<<< >>>>XXXXXXX<<5555< >5555< 5-turns
3-turns >33< >33X33<>33<>33<>33< >>3<< >33X33< >33< >33< > 3-turns
bridge-2 eee A bridge-2
bridge-1 dddd eee FF B C B bridge-1
sheets AAAA AAA BB sheets
4-turns >>>>XXXXXX>X<<<< >>>>XXXXXX<<<< >>>>XXXXXXXXX<<<< >444< > 4-turns
summary tTTthHHHHHHHHHHHHHHHHHHHHHHhTTtEEEEe ShHHHHHHHHHHHHhtgGGeEEEeThHHHHHHHHHHHHHHHhttTTeEE B BSStTTt Bg summary
sequence QEGESRLNLVQRNVNIFKFIIPNIVKHSPDCIILVVSNPVDVLTYVAWKLSGLPMHRIIGSGCNLDSARFRYLMGERLGVHSCSCHGWVIGEHGDSVPSV sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand GGG EETTEEHHHHSS SSSSSSTHHHHHHHHHHHHHHHHHSS HHHHHHHHHHHHHHHTT EEEEEEEE TTSSS SS EEEEEEEEETTEEEEE Kabs/Sand
chirality ++++---+--++++---++-+-+++++++++++++++++++-+-+++++++++++++++++-+-+-+-+-+-+++++-+-+-+-+-+----+-+-++--- chirality
bends SSS SSS SSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSS SSSSS SS SSS bends
turns TTTT TTTTTTTTTT TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTT TTTT turns
5-turns >5555< 5-turns
3-turns >3<< >33< >33< >>><<< >33< >33< >33< >33< >33< >33< 3-turns
bridge-2 GG A C IIII bridge-2
bridge-1 FF GG HHHHHHHH HHHHHHHH II*II bridge-1
sheets BB BB CCCCCCCC CCCCCCCCC CCCCC sheets
4-turns 444< >>44<< >>4>XX4>XXX<<<< >>>>XXXXXXXXX<<<< 4-turns
summary GGGeEEeTEEHHHHhS SSSSSthHHHHHHHHHHHHHHHHHhS hHHHHHHHHHHHHHHHhTt EEEEEEEEeTTtSS SSeEEEEEEEEETTEEEEE summary
sequence WSGMNVASIKLHPLDGTNKDKQDWKKLHKDVVDSAYEVIKLKGYTSWAIGLSVADLAETIMKNLCRVHPVSTMVKDFYGIKDNVFLSLPCVLNDHGISNI sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HHHHHHHHHHHHHHHHH S Kabs/Sand
chirality ------+++++++++++++++++++++ chirality
bends SSSSSSSSSSSSSSSSS S bends
turns TTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXXXXXXXXX<<<< 4-turns
summary e hHHHHHHHHHHHHHHHHHh S summary
sequence VKMKLKPNEEQQLQKSATTLWDIQKDLKF sequence
310 320