Secondary structure calculation program - copyright by David Keith Smith, 1989
1hfuA.pdb
1HFU OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 500
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 e 0 0 999.9 -16.0 -178.5 999.9 999.9 999.9 0 0.0 35 -1.3 0 0.0 0 0.0 6 31
2 A 2 ILE I E E Aa - 35 0 -120.7 130.1 177.5 -156.6 999.9 168.6 0 0.0 4 -0.5 0 0.0 0 0.0 7 35
3 A 3 VAL V E E Aa - 36 0 -99.3 128.5 -178.0 -142.9 19.6 151.6 35 -3.4 37 -2.2 0 0.0 0 0.0 11 46
4 A 4 ASN N - 0 0 -87.1 169.7 -177.9 -102.6 26.5 112.4 2 -0.5 0 0.0 0 0.0 0 0.0 8 44
5 A 5 SER S S e S+ 0 0 -63.4 -31.3 171.9 41.1 120.2 37.1 0 0.0 45 -2.4 0 0.0 7 -0.6 12 41
6 A 6 VAL V E E Bb S+ 45 0 -110.6 110.9 -177.6 106.9 98.1 168.1 0 0.0 0 0.0 0 0.0 0 0.0 8 33
7 A 7 ASP D E E Bb - 46 0 -166.7 -179.1 175.8 -96.4 65.7 168.4 45 -2.3 47 -2.4 5 -0.6 0 0.0 9 33
8 A 8 THR T E E Bb - 47 0 -114.2 136.6 176.1 -159.2 22.1 154.9 0 0.0 10 -0.6 0 0.0 0 0.0 9 36
9 A 9 MET M E E Bb - 48 0 -117.6 101.6 -178.9 -166.0 11.4 154.4 47 -3.3 49 -2.5 0 0.0 11 -0.6 11 55
10 A 10 THR T E E Bb - 49 0 -93.5 119.6 -175.2 -151.9 7.1 139.5 8 -0.6 29 -2.4 0 0.0 12 -0.6 12 54
11 A 11 LEU L E E BbC + 50 28 -95.1 122.4 173.9 159.4 25.2 147.6 49 -2.9 51 -1.9 9 -0.6 0 0.0 14 58
12 A 12 THR T E E B C - 0 27 -132.8 166.5 172.5 -116.1 37.1 153.5 27 -1.8 27 -3.0 10 -0.6 0 0.0 13 48
13 A 13 ASN N E E B C + 0 26 -97.8 146.8 179.0 158.9 40.3 141.5 0 0.0 0 0.0 0 0.0 0 0.0 12 44
14 A 14 ALA A E E B C - 0 25 -156.7 165.3 177.7 -94.4 45.5 165.4 25 -1.3 25 -3.4 0 0.0 0 0.0 8 35
15 A 15 ASN N E E B C - 0 24 -91.5 133.0 -172.1 -177.7 47.8 138.8 0 0.0 0 0.0 0 0.0 0 0.0 8 35
16 A 16 VAL V E E B C - 0 23 -132.7 155.1 -177.0 -173.3 25.3 158.0 23 -3.6 23 -2.5 0 0.0 0 0.0 9 39
17 A 17 A SER S t > T + 0 0 -148.4 59.4 -174.9 158.3 18.9 109.3 0 0.0 20 -2.0 0 0.0 0 0.0 8 44
18 A 18 PRO P T T 3 TS+ 0 0 -62.6 -22.9 -180.0 31.8 87.2 48.5 0 0.0 171 -1.5 0 0.0 0 0.0 11 54
19 A 19 ASP D T T 3 TS- 0 0 -119.5 13.7 178.3 -91.2 127.3 88.7 0 0.0 0 0.0 0 0.0 0 0.0 14 49
20 A 20 GLY G S t < TS+ 0 0 89.1 -1.0 176.1 107.5 99.6 66.5 17 -2.0 0 0.0 0 0.0 0 0.0 10 36
21 A 21 PHE F - 0 0 -107.5 131.8 -177.9 -133.0 67.4 158.2 0 0.0 0 0.0 0 0.0 0 0.0 9 36
22 A 22 THR T + 0 0 -92.5 135.0 176.7 146.2 39.0 131.9 0 0.0 0 0.0 0 0.0 0 0.0 9 32
23 A 23 ARG R E E BC - 16 0 -150.4 166.3 178.3 -90.8 51.5 160.5 16 -2.5 16 -3.6 0 0.0 0 0.0 10 39
24 A 24 ALA A E E BC + 15 0 -84.5 139.3 -176.6 155.2 55.9 130.0 0 0.0 0 0.0 0 0.0 0 0.0 9 47
25 A 25 GLY G E E BC - 14 0 -142.3 -157.7 -176.5 -85.2 39.6 129.7 14 -3.4 14 -1.3 0 0.0 0 0.0 12 57
26 A 26 ILE I E E BC - 13 0 -129.4 136.0 -179.8 -166.2 31.1 168.6 118 -0.9 0 0.0 0 0.0 0 0.0 13 60
27 A 27 LEU L E E BC - 12 0 -119.6 156.4 178.7 -147.1 13.0 147.7 12 -3.0 12 -1.8 0 0.0 0 0.0 15 53
28 A 28 VAL V E E BCA> TS- 11 31 -123.3 113.3 -175.8 -14.4 89.3 178.2 31 -2.9 31 -1.6 0 0.0 0 0.0 13 53
29 A 29 ASN N T e 3 TS- 0 0 56.5 39.3 177.7 -56.8 129.6 31.5 10 -2.4 0 0.0 0 0.0 0 0.0 9 36
30 A 30 GLY G T T 3 TS+ 0 0 73.6 11.8 -173.3 102.2 120.3 57.7 0 0.0 0 0.0 0 0.0 0 0.0 8 32
31 A 31 VAL V B B A < TS- 28 0 -127.3 149.9 178.8 -110.6 78.3 151.4 28 -1.6 28 -2.9 0 0.0 33 -0.9 8 36
32 A 32 HIS H S S S- 0 0 -86.0 104.9 179.7 -29.1 91.8 139.3 0 0.0 0 0.0 0 0.0 0 0.0 9 55
33 A 33 GLY G S S S- 0 0 54.2 56.2 177.7 -159.1 80.5 20.1 31 -0.9 0 0.0 0 0.0 0 0.0 12 64
34 A 34 PRO P - 0 0 -57.9 153.0 176.8 -100.7 22.4 107.6 0 0.0 0 0.0 0 0.0 0 0.0 11 56
35 A 35 LEU L E E Aa - 2 0 -75.4 137.1 169.9 -152.5 26.6 126.4 1 -1.3 3 -3.4 0 0.0 0 0.0 12 57
36 A 36 ILE I E E Aad + 3 124 -103.7 133.3 177.6 178.6 23.9 156.9 123 -2.4 125 -2.2 0 0.0 0 0.0 12 65
37 A 37 ARG R E E A d + 0 125 -138.4 152.8 178.1 135.3 12.4 171.8 3 -2.2 0 0.0 0 0.0 0 0.0 12 53
38 A 38 GLY G E E A d - 0 126 -168.0 -174.5 -178.8 -83.2 46.5 159.5 125 -1.7 127 -2.3 0 0.0 0 0.0 10 44
39 A 39 GLY G E E A d> T - 0 127 -105.4 162.5 -173.9 -105.3 42.8 133.5 0 0.0 42 -1.6 0 0.0 0 0.0 10 37
40 A 40 LYS K T e 3 TS+ 0 0 -63.4 -22.4 178.6 42.4 118.4 47.6 127 -1.7 101 -2.7 0 0.0 102 -0.5 14 39
41 A 41 ASN N T T 3 TS+ 0 0 -104.0 6.7 -177.4 130.8 87.3 73.6 0 0.0 0 0.0 0 0.0 0 0.0 9 31
42 A 42 ASP D t < T - 0 0 -64.6 146.7 171.8 -134.7 57.8 105.4 39 -1.6 44 -0.9 0 0.0 0 0.0 10 33
43 A 43 ASN N - 0 0 -97.3 96.3 -179.1 -150.3 29.9 149.8 0 0.0 0 0.0 0 0.0 0 0.0 10 35
44 A 44 PHE F E E B E + 0 97 -73.2 140.2 177.4 179.6 20.9 118.9 97 -2.6 97 -1.4 42 -0.9 0 0.0 10 47
45 A 45 GLU E E E BbE + 6 96 -139.9 97.9 -176.3 175.0 8.6 146.2 5 -2.4 7 -2.3 0 0.0 47 -0.6 11 40
46 A 46 LEU L E E BbE - 7 95 -114.3 107.6 179.2 -156.4 18.5 161.0 95 -2.6 95 -2.6 0 0.0 48 -0.9 12 51
47 A 47 ASN N E E BbE - 8 94 -85.0 111.3 179.8 -157.0 11.0 140.5 7 -2.4 9 -3.3 45 -0.6 49 -0.8 11 44
48 A 48 VAL V E E BbE - 9 93 -91.5 111.7 -174.8 -164.3 7.1 141.9 93 -3.0 93 -2.1 46 -0.9 50 -0.6 12 61
49 A 49 VAL V E E BbE - 10 92 -101.8 114.1 -176.0 -148.7 8.6 153.7 9 -2.5 11 -2.9 47 -0.8 51 -1.0 12 41
50 A 50 ASN N E E Bb + 11 0 -89.4 102.9 176.0 153.2 34.8 138.8 91 -2.6 90 -3.0 48 -0.6 0 0.0 15 51
51 A 51 ASP D e + 0 0 -110.8 24.6 177.5 141.7 24.6 87.9 11 -1.9 0 0.0 49 -1.0 0 0.0 11 39
52 A 52 LEU L + 0 0 -67.2 133.5 -179.5 155.6 10.9 115.5 0 0.0 0 0.0 0 0.0 0 0.0 12 51
53 A 53 ASP D + 0 0 -140.3 1.0 179.8 109.0 32.6 68.2 0 0.0 0 0.0 0 0.0 0 0.0 8 42
54 A 54 ASN N t > T - 0 0 -88.3 113.3 -179.3 -159.0 51.2 138.9 0 0.0 57 -1.5 0 0.0 0 0.0 8 42
55 A 55 PRO P T T 3 TS+ 0 0 -70.2 -6.3 175.9 75.5 81.7 59.0 0 0.0 498 -2.8 0 0.0 0 0.0 10 41
56 A 56 THR T T T 3 TS+ 0 0 -83.3 -4.9 173.7 44.3 102.7 58.5 0 0.0 0 0.0 0 0.0 0 0.0 11 39
57 A 57 MET M S t < TS- 0 0 -125.5 163.8 175.2 -81.7 109.7 151.0 54 -1.5 0 0.0 0 0.0 0 0.0 13 52
58 A 58 LEU L - 0 0 -62.2 144.1 -177.7 -164.3 39.4 114.7 0 0.0 0 0.0 0 0.0 0 0.0 12 58
59 A 59 ARG R + 0 0 -102.2 -48.5 172.2 68.3 64.2 30.2 0 0.0 0 0.0 0 0.0 0 0.0 12 60
60 A 60 PRO P S S S- 0 0 -61.0 161.4 179.3 -170.2 72.2 104.9 0 0.0 0 0.0 0 0.0 0 0.0 12 61
61 A 61 THR T B B B - 87 0 -150.6 172.1 173.6 -169.2 27.3 167.7 87 -2.1 87 -3.4 0 0.0 0 0.0 13 71
62 A 62 SER S e - 0 0 -160.4 133.8 -176.8 -139.1 21.2 158.8 0 0.0 111 -2.8 0 0.0 64 -0.5 14 70
63 A 63 ILE I E E AF - 110 0 -109.3 128.0 174.1 -160.8 7.6 159.5 0 0.0 0 0.0 0 0.0 0 0.0 12 76
64 A 64 HIS H E E AF - 109 0 -97.5 137.2 -178.3 -148.3 12.0 146.4 109 -2.9 109 -1.7 62 -0.5 66 -1.1 12 74
65 A 65 TRP W E E AF > T - 108 0 -104.8 84.0 -166.9 -138.9 31.7 145.4 77 -0.5 68 -1.8 0 0.0 0 0.0 12 82
66 A 66 HIS H E E AF 3 TS+ 107 0 -62.2 118.5 175.8 14.7 75.5 112.4 107 -1.8 107 -0.9 64 -1.1 0 0.0 10 78
67 A 67 GLY G T T 3 TS+ 0 0 110.8 -16.9 178.7 118.8 89.6 80.5 0 0.0 0 0.0 0 0.0 0 0.0 13 73
68 A 68 A LEU L t < T - 0 0 -82.5 134.5 -172.5 -145.4 58.3 134.6 65 -1.8 399 -0.6 0 0.0 0 0.0 10 70
69 A 69 PHE F - 0 0 -75.4 -23.1 178.1 -150.8 16.0 43.3 0 0.0 0 0.0 0 0.0 0 0.0 10 62
70 A 70 GLN Q t > T - 0 0 58.2 38.8 179.8 -168.8 17.5 33.4 0 0.0 73 -2.4 0 0.0 0 0.0 12 58
71 A 71 ARG R T T 3 TS+ 0 0 -62.4 122.9 -177.0 1.9 75.9 114.3 0 0.0 0 0.0 0 0.0 0 0.0 9 54
72 A 72 GLY G T T 3 TS+ 0 0 78.3 1.5 -177.9 76.8 124.2 58.6 0 0.0 475 -0.8 0 0.0 0 0.0 9 44
73 A 73 THR T g X T + 0 0 -137.3 43.9 179.8 142.2 45.0 104.0 70 -2.4 76 -2.5 0 0.0 0 0.0 13 57
74 A 74 ASN N G G > T + 0 0 -57.4 -33.4 176.9 66.1 68.8 28.6 0 0.0 77 -1.8 0 0.0 0 0.0 12 66
75 A 75 TRP W G G 3 TS+ 0 0 -64.0 -12.5 177.5 52.1 99.1 54.0 0 0.0 0 0.0 0 0.0 0 0.0 11 68
76 A 76 ALA A G G < TS+ 0 0 -100.1 -0.9 -173.4 96.2 80.0 67.7 73 -2.5 0 0.0 0 0.0 0 0.0 12 69
77 A 77 ASP D S g < TS- 0 0 -68.5 -24.3 170.5 -140.8 79.9 35.1 74 -1.8 65 -0.5 0 0.0 0 0.0 11 68
78 A 78 GLY G + 0 0 92.0 -7.9 179.2 138.9 49.6 66.6 0 0.0 80 -0.9 0 0.0 0 0.0 14 69
79 A 79 ALA A t > > T - 0 0 -79.3 114.9 176.2 -130.4 53.2 134.2 0 0.0 83 -2.7 0 0.0 82 -2.0 13 70
80 A 80 ASP D T T 4 3 TS+ 0 0 -55.8 137.2 177.8 23.2 93.2 112.0 111 -1.7 0 0.0 78 -0.9 0 0.0 12 66
81 A 81 GLY G T T 4 3 TS+ 0 0 88.7 -15.5 -179.7 49.0 128.2 77.1 84 -1.9 351 -1.8 0 0.0 0 0.0 12 63
82 A 82 VAL V T T 4 < TS+ 0 0 -119.1 -57.2 -178.9 10.8 126.3 46.6 79 -2.0 352 -2.9 0 0.0 0 0.0 13 73
83 A 83 ASN N S t < TS- 0 0 -101.8 -22.5 178.7 -8.8 127.5 49.6 79 -2.7 0 0.0 0 0.0 0 0.0 17 77
84 A 84 GLN Q - 0 0 -158.8 169.6 166.6 -105.4 63.6 167.6 0 0.0 81 -1.9 0 0.0 0 0.0 18 65
85 A 85 CYS C - 0 0 -90.6 163.2 179.5 -82.9 61.7 136.7 0 0.0 0 0.0 0 0.0 0 0.0 12 59
86 A 86 PRO P - 0 0 -65.3 154.2 174.0 -110.2 38.5 96.1 0 0.0 0 0.0 0 0.0 0 0.0 12 64
87 A 87 ILE I B B B - 61 0 -81.7 124.2 -174.8 -128.9 42.6 138.8 61 -3.4 61 -2.1 0 0.0 0 0.0 13 62
88 A 88 SER S t > T - 0 0 -83.9 153.3 175.6 -86.4 26.9 123.9 0 0.0 91 -2.0 0 0.0 0 0.0 13 54
89 A 89 PRO P T T 3 TS+ 0 0 -53.0 127.8 178.8 23.6 117.2 103.7 0 0.0 0 0.0 0 0.0 0 0.0 11 48
90 A 90 GLY G T T 3 TS+ 0 0 89.4 8.9 179.4 88.6 110.9 62.1 50 -3.0 0 0.0 0 0.0 0 0.0 8 36
91 A 91 HIS H e < T - 0 0 -128.5 167.6 -179.4 -147.9 60.5 143.0 88 -2.0 50 -2.6 0 0.0 0 0.0 9 41
92 A 92 ALA A E E BE - 49 0 -133.1 167.0 177.1 -154.5 1.6 152.5 0 0.0 0 0.0 0 0.0 0 0.0 10 47
93 A 93 PHE F E E BE - 48 0 -147.6 131.9 -178.2 -139.4 13.2 166.6 48 -2.1 48 -3.0 0 0.0 95 -0.9 10 53
94 A 94 LEU L E E BE - 47 0 -97.0 103.6 175.3 -160.8 16.7 138.9 0 0.0 0 0.0 0 0.0 0 0.0 8 49
95 A 95 TYR Y E E BE - 46 0 -82.1 133.6 178.6 -173.3 9.4 135.3 46 -2.6 46 -2.6 93 -0.9 0 0.0 10 62
96 A 96 LYS K E E BE + 45 0 -130.4 130.4 178.1 121.9 22.8 173.0 0 0.0 0 0.0 0 0.0 0 0.0 10 49
97 A 97 PHE F E E BE - 44 0 -167.9 175.8 175.9 -132.3 39.8 167.3 44 -1.4 44 -2.6 0 0.0 0 0.0 10 54
98 A 98 THR T - 0 0 -141.5 149.7 173.4 -132.2 21.0 172.6 0 0.0 0 0.0 0 0.0 0 0.0 10 48
99 A 99 PRO P t > T - 0 0 -66.6 -22.6 177.6 -145.9 40.6 43.5 0 0.0 102 -1.2 0 0.0 0 0.0 14 54
100 A 100 ALA A T T 3 TS- 0 0 56.4 45.2 179.7 -36.7 72.8 24.5 0 0.0 0 0.0 0 0.0 0 0.0 7 35
101 A 101 GLY G T T 3 TS+ 0 0 91.9 -4.2 -177.1 131.1 106.7 65.6 40 -2.7 103 -1.0 0 0.0 0 0.0 6 33
102 A 102 HIS H t < T - 0 0 -91.8 100.7 -179.9 -176.0 33.8 134.2 99 -1.2 0 0.0 40 -0.5 0 0.0 10 48
103 A 103 ALA A + 0 0 -90.6 157.9 177.1 96.8 26.8 127.6 101 -1.0 0 0.0 0 0.0 0 0.0 12 59
104 A 104 GLY G E E A G S- 0 126 156.5 -175.2 179.1 -57.3 70.7 160.1 126 -2.8 126 -2.9 0 0.0 106 -0.5 12 68
105 A 105 THR T E E A G + 0 125 -105.5 119.7 -174.0 152.2 59.7 155.3 0 0.0 0 0.0 0 0.0 0 0.0 15 68
106 A 106 PHE F E E A G - 0 124 -130.0 -170.4 175.3 -144.5 27.9 124.1 124 -3.1 124 -2.1 104 -0.5 0 0.0 16 74
107 A 107 TRP W E E AFG - 66 123 -159.5 156.7 178.1 -137.2 7.7 163.2 66 -0.9 66 -1.8 0 0.0 0 0.0 15 74
108 A 108 TYR Y E E AFG + 65 122 -114.2 156.2 178.7 160.8 29.5 153.4 122 -2.3 122 -2.1 0 0.0 0 0.0 12 78
109 A 109 HIS H E E AFG - 64 121 -167.4 154.5 174.9 -86.2 45.6 161.6 64 -1.7 64 -2.9 0 0.0 0 0.0 12 72
110 A 110 SER S E E AF - 63 0 -63.6 146.4 177.9 -165.2 29.2 107.9 120 -2.5 0 0.0 0 0.0 0 0.0 13 73
111 A 111 HIS H e + 0 0 -125.7 37.9 176.2 103.9 57.5 108.3 62 -2.8 80 -1.7 0 0.0 0 0.0 14 66
112 A 112 PHE F S t > TS- 0 0 -122.1 109.9 -180.0 -56.3 95.6 164.8 0 0.0 115 -1.7 0 0.0 0 0.0 13 66
113 A 113 GLY G T T 3 TS- 0 0 55.1 -148.2 179.4 -37.9 104.0 98.8 0 0.0 0 0.0 0 0.0 0 0.0 8 59
114 A 114 THR T T g > TS+ 0 0 -95.3 22.0 180.0 120.8 100.1 79.6 0 0.0 117 -1.6 0 0.0 0 0.0 13 62
115 A 115 GLN Q G G X>T + 0 0 -55.7 -34.3 -176.1 63.6 63.3 38.9 112 -1.7 118 -1.8 0 0.0 120 -0.9 14 71
116 A 116 TYR Y G G >5TS+ 0 0 -69.5 -17.3 177.5 68.4 90.4 35.4 0 0.0 119 -2.0 0 0.0 0 0.0 13 72
117 A 117 CYS C G G <5TS+ 0 0 -66.9 -19.5 176.6 62.4 91.7 45.5 114 -1.6 0 0.0 0 0.0 0 0.0 13 67
118 A 118 ASP D G G <5TS- 0 0 -86.6 7.0 176.5 -85.0 134.0 74.1 115 -1.8 26 -0.9 0 0.0 0 0.0 13 73
119 A 119 GLY G T g <5TS+ 0 0 109.5 -0.7 -179.9 134.4 85.2 64.9 116 -2.0 121 -2.0 0 0.0 0 0.0 11 77
120 A 120 LEU L e T - 0 0 -104.9 136.7 176.4 -154.3 4.2 157.2 0 0.0 131 -0.8 0 0.0 0 0.0 9 38
129 A 129 ASP D T T 3 TS+ 0 0 -86.3 -2.5 -177.8 34.6 100.8 62.8 0 0.0 0 0.0 0 0.0 0 0.0 6 24
130 A 130 ASN N T T 3 TS+ 0 0 -140.1 41.4 -175.3 179.6 83.5 100.8 0 0.0 0 0.0 0 0.0 0 0.0 5 21
131 A 131 ASP D t X T - 0 0 -59.1 125.8 178.1 -145.3 25.4 105.4 128 -0.8 134 -1.9 0 0.0 0 0.0 6 37
132 A 132 PRO P T T 3 TS+ 0 0 -58.0 -28.2 -178.4 45.6 98.8 38.9 0 0.0 0 0.0 0 0.0 0 0.0 5 33
133 A 133 HIS H T g > TS+ 0 0 -102.6 13.6 -175.2 117.1 74.9 76.4 0 0.0 136 -2.0 0 0.0 0 0.0 7 41
134 A 134 ALA A G G X T + 0 0 -54.1 -33.2 -179.2 60.2 68.8 38.5 131 -1.9 137 -1.2 0 0.0 0 0.0 8 36
135 A 135 ALA A G G 3 TS+ 0 0 -69.5 -17.2 -176.9 70.2 92.2 52.0 0 0.0 0 0.0 0 0.0 0 0.0 6 24
136 A 136 LEU L G G < TS+ 0 0 -80.3 -11.0 -179.3 31.4 104.1 54.3 133 -2.0 0 0.0 0 0.0 0 0.0 7 34
137 A 137 TYR Y g < T - 0 0 -148.8 160.0 -177.3 -153.2 51.8 169.6 134 -1.2 0 0.0 0 0.0 0 0.0 12 38
138 A 138 ASP D S S S+ 0 0 -98.6 -34.5 -174.6 39.3 81.7 42.6 191 -2.3 0 0.0 0 0.0 0 0.0 10 31
139 A 139 GLU E B B c + 192 0 -130.0 145.3 179.4 157.0 45.4 165.8 191 -1.8 193 -3.0 0 0.0 0 0.0 9 34
140 A 140 ASP D + 0 0 -162.8 101.6 -175.8 112.4 35.4 136.8 0 0.0 0 0.0 0 0.0 0 0.0 10 50
141 A 141 ASP D S t > TS- 0 0 -155.0 -161.0 -176.4 -55.5 80.8 142.3 0 0.0 144 -2.0 0 0.0 0 0.0 6 47
142 A 142 GLU E T T 3 TS+ 0 0 -67.7 -15.0 177.4 56.0 129.7 44.6 0 0.0 0 0.0 0 0.0 0 0.0 6 44
143 A 143 ASN N T T 3 TS+ 0 0 -97.9 8.4 175.5 62.1 96.1 71.9 0 0.0 0 0.0 0 0.0 0 0.0 7 47
144 A 144 THR T S e < TS+ 0 0 -117.4 22.2 176.8 106.3 80.6 86.4 141 -2.0 195 -2.8 0 0.0 0 0.0 12 54
145 A 145 ILE I E E Ch - 195 0 -103.2 137.1 178.0 -172.5 46.6 148.6 0 0.0 0 0.0 0 0.0 0 0.0 11 60
146 A 146 ILE I E E Ch - 196 0 -129.2 107.6 176.9 -170.8 6.3 158.4 195 -3.0 197 -2.5 0 0.0 0 0.0 10 71
147 A 147 THR T E E Ch - 197 0 -96.4 151.9 176.0 -155.2 8.1 137.9 0 0.0 168 -2.2 0 0.0 0 0.0 14 77
148 A 148 LEU L E E ChI + 198 167 -125.1 127.6 -176.5 176.8 17.7 168.2 197 -2.5 199 -3.3 0 0.0 0 0.0 15 81
149 A 149 ALA A E E C I - 0 166 -139.2 142.0 176.8 -132.6 29.3 171.6 166 -2.1 166 -3.1 0 0.0 0 0.0 12 78
150 A 150 ASP D E E C I - 0 165 -85.0 132.0 -178.5 -160.8 29.8 146.8 0 0.0 0 0.0 0 0.0 0 0.0 15 74
151 A 151 TRP W E E C I - 0 164 -126.3 132.3 -177.4 -166.5 6.9 166.9 164 -2.5 163 -2.1 0 0.0 164 -2.0 11 74
152 A 152 TYR Y - 0 0 -113.6 147.0 -179.9 -140.8 22.3 152.6 0 0.0 0 0.0 0 0.0 0 0.0 12 62
153 A 153 HIS H S S S+ 0 0 -82.6 -10.6 177.8 60.9 87.8 52.6 0 0.0 0 0.0 0 0.0 0 0.0 9 50
154 A 154 ILE I S S S- 0 0 -115.3 136.9 174.6 -101.2 97.0 159.8 0 0.0 0 0.0 0 0.0 0 0.0 8 45
155 A 155 PRO P g > T - 0 0 -49.3 142.6 -176.2 -109.4 40.0 99.1 0 0.0 158 -2.1 0 0.0 0 0.0 14 49
156 A 156 ALA A G G > TS+ 0 0 -49.9 -42.1 178.1 59.0 114.2 32.4 0 0.0 159 -1.8 0 0.0 0 0.0 11 49
157 A 157 PRO P G G 3 TS+ 0 0 -63.0 -26.8 -179.1 49.0 108.2 42.7 0 0.0 0 0.0 0 0.0 0 0.0 10 41
158 A 158 SER S G G < TS+ 0 0 -97.6 9.7 -180.0 131.3 77.1 73.3 155 -2.1 0 0.0 0 0.0 0 0.0 9 31
159 A 159 ILE I g < T 0 0 -64.9 135.4 -178.0 999.9 999.9 109.6 156 -1.8 0 0.0 0 0.0 0 0.0 6 37
160!A 160 GLN Q 0 0 -99.2 999.9 999.9 999.9 999.9 143.8 0 0.0 0 0.0 0 0.0 0 0.0 2 17
161!A 164 GLN Q 0 0 999.9 101.2 179.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 45
162 A 165 PRO P - 0 0 -52.0 132.5 174.5 -151.4 999.9 113.1 0 0.0 263 -2.5 0 0.0 0 0.0 12 60
163 A 166 ASP D S S S+ 0 0 -80.1 -33.8 -179.1 5.6 79.0 35.0 151 -2.1 174 -0.6 0 0.0 0 0.0 14 61
164 A 167 ALA A E E CID - 151 173 -148.0 160.3 169.4 -126.5 60.8 165.7 151 -2.0 151 -2.5 0 0.0 166 -0.5 17 71
165 A 168 THR T E E CI - 150 0 -99.5 126.3 173.8 -153.7 29.4 160.2 172 -0.6 167 -0.5 0 0.0 0 0.0 19 75
166 A 169 LEU L E E CI - 149 0 -102.7 128.9 175.9 -166.2 7.1 157.2 149 -3.1 149 -2.1 164 -0.5 168 -0.5 16 75
167 A 170 ILE I E E CIE> TS- 148 170 -113.3 118.0 -172.3 -11.4 83.6 167.2 170 -2.9 170 -1.5 165 -0.5 0 0.0 16 69
168 A 171 ASN N T e 3 TS- 0 0 52.5 45.7 175.8 -53.8 134.6 26.0 147 -2.2 0 0.0 166 -0.5 0 0.0 9 60
169 A 172 GLY G T T 3 TS+ 0 0 73.4 6.6 -179.3 92.4 121.8 61.7 0 0.0 0 0.0 0 0.0 0 0.0 12 63
170 A 173 LYS K B B E < T + 167 0 -132.3 146.3 177.9 120.5 39.9 166.3 167 -1.5 167 -2.9 0 0.0 0 0.0 13 55
171 A 174 GLY G - 0 0 -179.4 -177.8 -178.3 -104.0 43.9 164.6 18 -1.5 0 0.0 0 0.0 0 0.0 19 60
172 A 175 ARG R - 0 0 -126.6 157.9 173.5 -137.9 17.5 157.3 0 0.0 165 -0.6 0 0.0 275 -0.6 17 57
173 A 176 TYR Y B B D > T - 164 0 -109.2 156.0 -179.5 -87.7 42.4 143.1 0 0.0 176 -2.6 0 0.0 0 0.0 12 52
174 A 177 VAL V T T 3 TS+ 0 0 -64.7 122.9 -177.8 11.3 118.9 116.4 163 -0.6 0 0.0 0 0.0 0 0.0 12 42
175 A 178 GLY G T T 3 TS+ 0 0 89.9 -1.3 -179.7 124.8 106.1 63.5 0 0.0 0 0.0 0 0.0 0 0.0 4 30
176 A 179 GLY G t < T - 0 0 -84.0 176.7 177.5 -79.9 68.9 104.3 173 -2.6 0 0.0 0 0.0 0 0.0 10 39
177 A 180 PRO P - 0 0 -66.8 162.6 178.4 -94.5 52.9 103.7 0 0.0 179 -2.1 0 0.0 0 0.0 8 25
178 A 181 ALA A - 0 0 -82.8 65.7 178.9 -171.8 57.5 118.0 0 0.0 0 0.0 0 0.0 0 0.0 8 32
179 A 182 ALA A - 0 0 -55.9 151.3 179.6 -82.2 34.9 104.1 177 -2.1 0 0.0 0 0.0 0 0.0 11 38
180 A 183 GLU E - 0 0 -60.8 134.1 176.2 -141.4 46.2 106.4 0 0.0 0 0.0 0 0.0 0 0.0 7 37
181 A 184 LEU L - 0 0 -95.9 152.1 178.7 -101.1 22.3 135.1 0 0.0 0 0.0 0 0.0 0 0.0 12 50
182 A 185 SER S e - 0 0 -70.6 150.2 -180.0 -147.3 30.8 114.3 0 0.0 278 -2.7 0 0.0 0 0.0 11 50
183 A 186 ILE I E E Dj - 278 0 -123.2 130.0 174.8 -162.3 7.2 168.5 0 0.0 185 -0.6 0 0.0 0 0.0 8 48
184 A 187 VAL V E E Dj - 279 0 -109.5 117.7 -176.6 -145.8 21.9 167.4 278 -2.9 280 -2.8 0 0.0 0 0.0 10 61
185 A 188 ASN N E E Dj + 280 0 -92.2 133.4 177.2 167.4 24.2 139.0 183 -0.6 0 0.0 0 0.0 0 0.0 9 52
186 A 189 VAL V E E Dj - 281 0 -138.4 160.1 179.2 -135.2 27.6 157.0 280 -2.2 282 -2.3 0 0.0 0 0.0 10 50
187 A 190 GLU E t > T - 0 0 -117.6 128.2 -179.0 -103.6 37.2 168.8 0 0.0 190 -2.0 0 0.0 0 0.0 8 37
188 A 191 GLN Q T T 3 TS+ 0 0 -50.1 136.0 177.6 22.5 105.2 102.8 0 0.0 0 0.0 0 0.0 0 0.0 11 30
189 A 192 GLY G T T 3 TS+ 0 0 91.6 -10.7 179.3 108.0 99.6 73.6 246 -2.6 0 0.0 0 0.0 0 0.0 7 26
190 A 193 LYS K e < T - 0 0 -95.8 163.9 -177.5 -136.9 59.7 122.8 187 -2.0 246 -2.3 0 0.0 0 0.0 12 37
191 A 194 LYS K E E C K - 0 245 -126.9 138.6 -171.9 -162.0 17.5 166.4 0 0.0 138 -2.3 0 0.0 139 -1.8 12 43
192 A 195 TYR Y E E CcK - 139 244 -125.4 138.6 171.4 -134.9 23.6 165.7 244 -2.3 244 -2.7 0 0.0 194 -1.2 14 47
193 A 196 ARG R E E C K - 0 243 -87.8 94.1 179.7 -163.5 33.5 141.3 139 -3.0 0 0.0 0 0.0 0 0.0 13 58
194 A 197 MET M E E C K - 0 242 -81.5 130.8 -177.1 -151.6 6.0 137.1 242 -3.0 242 -2.6 192 -1.2 196 -0.7 12 68
195 A 198 ARG R E E ChK - 145 241 -111.7 104.9 -175.1 -164.4 10.0 152.3 144 -2.8 146 -3.0 0 0.0 197 -0.5 13 68
196 A 199 LEU L E E ChK - 146 240 -94.1 122.7 -173.5 -178.0 10.4 143.3 240 -3.3 240 -2.5 194 -0.7 0 0.0 12 70
197 A 200 ILE I E E ChK - 147 239 -128.3 127.2 173.2 -146.7 22.0 171.1 146 -2.5 148 -2.5 195 -0.5 199 -0.6 16 73
198 A 201 SER S E E Ch + 148 0 -88.0 118.6 175.3 176.2 16.4 149.0 238 -2.5 0 0.0 0 0.0 0 0.0 13 77
199 A 202 LEU L e + 0 0 -99.4 16.6 -170.3 150.0 35.7 84.2 148 -3.3 0 0.0 197 -0.6 0 0.0 14 73
200 A 203 SER S - 0 0 -64.3 142.8 171.0 -164.6 46.2 103.2 0 0.0 0 0.0 0 0.0 0 0.0 14 75
201 A 204 CYS C S S S- 0 0 -89.1 -15.3 -177.5 -22.8 87.3 60.4 0 0.0 452 -1.9 0 0.0 453 -0.5 14 71
202 A 205 ASP D S S S+ 0 0 -155.9 -70.3 -171.3 81.6 105.4 78.8 0 0.0 0 0.0 0 0.0 0 0.0 10 67
203 A 206 PRO P - 0 0 -61.6 153.4 169.7 -145.2 53.9 102.5 0 0.0 0 0.0 0 0.0 0 0.0 13 60
204 A 207 ASN N e - 0 0 -105.6 160.3 177.7 -141.8 19.4 140.7 0 0.0 260 -1.5 0 0.0 0 0.0 11 61
205 A 208 TRP W E E DLM - 234 259 -125.4 148.3 169.6 -135.1 13.3 160.4 234 -2.0 234 -2.5 0 0.0 207 -0.7 11 63
206 A 209 GLN Q E E DLM - 233 258 -93.9 114.4 -175.0 -161.4 37.2 156.1 258 -2.2 258 -2.5 0 0.0 0 0.0 12 63
207 A 210 PHE F E E DLM + 232 257 -109.0 133.0 176.8 145.3 23.1 149.6 232 -3.2 232 -1.9 205 -0.7 0 0.0 12 72
208 A 211 SER S E E D M - 0 256 -155.0 163.6 178.6 -139.7 35.2 168.2 256 -2.1 256 -3.0 0 0.0 0 0.0 14 59
209 A 212 ILE I E E D M> T - 0 255 -131.6 119.9 -176.4 -112.0 35.0 175.5 0 0.0 212 -1.8 0 0.0 0 0.0 14 70
210 A 213 ASP D T e 3 TS+ 0 0 -55.9 137.5 178.3 4.5 97.9 105.3 254 -2.5 0 0.0 0 0.0 0 0.0 12 50
211 A 214 GLY G T T 3 TS+ 0 0 73.3 -4.1 -174.6 92.8 115.4 73.3 0 0.0 0 0.0 0 0.0 0 0.0 10 42
212 A 215 HIS H t < T - 0 0 -125.4 156.0 177.1 -137.8 61.9 145.4 209 -1.8 0 0.0 0 0.0 0 0.0 12 55
213 A 216 GLU E - 0 0 -103.6 164.5 -179.4 -130.0 17.8 131.0 0 0.0 215 -0.6 0 0.0 0 0.0 12 47
214 A 217 LEU L E E CN - 229 0 -118.8 107.7 -179.0 -161.3 13.1 160.3 229 -3.1 229 -2.1 0 0.0 216 -1.1 12 61
215 A 218 THR T E E CNO - 228 243 -94.0 95.1 -174.0 -148.3 17.8 139.0 243 -1.9 243 -2.8 213 -0.6 0 0.0 11 51
216 A 219 ILE I E E CNO + 227 242 -69.7 128.1 -175.5 155.2 34.3 117.9 227 -2.6 227 -1.9 214 -1.1 0 0.0 15 61
217 A 220 ILE I E E C** + 0 0 -130.6 -7.8 178.9 35.4 63.5 64.3 241 -2.8 224 -2.2 0 0.0 0 0.0 14 59
218 A 221 GLU E E E CNO - 223 241 -149.9 141.0 179.2 -169.9 56.5 168.7 241 -1.3 241 -2.0 0 0.0 0 0.0 13 65
219 A 222 VAL V E E CNO> TS- 222 240 -134.1 122.9 177.6 -24.0 74.6 173.1 222 -3.0 222 -1.4 0 0.0 0 0.0 15 71
220 A 223 ASP D T e 3 TS- 0 0 44.1 51.4 178.3 -44.1 128.9 32.6 239 -2.7 0 0.0 0 0.0 0 0.0 15 71
221 A 224 GLY G T T 3 TS+ 0 0 70.0 20.5 179.6 107.5 120.1 45.8 0 0.0 0 0.0 0 0.0 0 0.0 13 69
222 A 225 GLU E E E CN < T - 219 0 -131.0 122.4 -179.0 -124.7 68.5 169.6 219 -1.4 219 -3.0 0 0.0 0 0.0 10 64
223 A 226 LEU L E E CN - 218 0 -68.2 151.0 174.9 -171.1 28.0 104.6 0 0.0 308 -1.8 0 0.0 0 0.0 10 60
224 A 227 THR T E E C*F - 0 307 -126.0 166.0 164.4 -90.1 35.8 152.6 217 -2.2 0 0.0 0 0.0 0 0.0 15 55
225 A 228 GLU E E E C* - 0 0 -63.9 148.4 179.1 -85.2 67.8 123.4 306 -2.2 0 0.0 0 0.0 0 0.0 10 43
226 A 229 PRO P E E C* - 0 0 -62.9 122.8 -176.4 -179.0 55.6 108.0 0 0.0 0 0.0 0 0.0 0 0.0 7 46
227 A 230 HIS H E E CN - 216 0 -132.1 116.5 -173.4 -149.8 13.0 162.9 216 -1.9 216 -2.6 0 0.0 0 0.0 10 41
228 A 231 THR T E E CN + 215 0 -100.7 131.4 177.6 156.8 24.6 132.9 0 0.0 0 0.0 0 0.0 0 0.0 8 42
229 A 232 VAL V E E CN - 214 0 -133.8 172.8 176.3 -136.4 40.0 149.6 214 -2.1 214 -3.1 0 0.0 0 0.0 13 45
230 A 233 ASP D S S S+ 0 0 -104.5 -20.6 -173.5 18.3 88.6 55.6 298 -2.9 0 0.0 0 0.0 0 0.0 14 44
231 A 234 ARG R B B g - 299 0 -153.2 141.9 -179.2 -174.5 62.1 175.2 298 -1.6 300 -2.9 0 0.0 0 0.0 14 46
232 A 235 LEU L E E DL - 207 0 -140.3 151.4 174.1 -131.2 22.9 176.7 207 -1.9 207 -3.2 0 0.0 234 -0.5 11 60
233 A 236 GLN Q E E DL - 206 0 -100.4 127.9 -177.8 -162.7 26.0 153.6 0 0.0 0 0.0 0 0.0 0 0.0 9 64
234 A 237 ILE I E E DL - 205 0 -119.8 125.6 -178.3 -156.8 2.9 161.4 205 -2.5 205 -2.0 232 -0.5 0 0.0 11 70
235 A 238 PHE F t > T - 0 0 -96.8 165.0 -176.7 -52.5 43.5 114.5 0 0.0 238 -2.6 0 0.0 0 0.0 14 61
236 A 239 THR T T T 3 TS- 0 0 -41.2 120.6 174.4 -5.0 121.6 96.2 0 0.0 0 0.0 0 0.0 0 0.0 15 73
237 A 240 GLY G T T 3 TS+ 0 0 72.5 8.0 173.8 134.5 95.6 63.2 0 0.0 0 0.0 0 0.0 0 0.0 12 70
238 A 241 GLN Q e < T - 0 0 -83.3 158.9 178.1 -158.5 36.6 116.2 235 -2.6 198 -2.5 0 0.0 0 0.0 13 78
239 A 242 ARG R E E CK - 197 0 -137.5 147.0 175.1 -174.0 10.6 171.6 0 0.0 220 -2.7 0 0.0 0 0.0 15 71
240 A 243 TYR Y E E CKO - 196 219 -137.7 133.9 165.2 -153.9 13.6 170.4 196 -2.5 196 -3.3 0 0.0 242 -0.5 13 75
241 A 244 SER S E E CKO + 195 218 -98.5 131.8 172.3 178.8 24.1 156.2 218 -2.0 217 -2.8 0 0.0 218 -1.3 13 76
242 A 245 PHE F E E CKO - 194 216 -129.5 141.3 173.8 -125.0 29.5 171.0 194 -2.6 194 -3.0 240 -0.5 244 -0.5 14 62
243 A 246 VAL V E E CKO - 193 215 -80.9 129.7 175.3 -154.5 22.6 136.6 215 -2.8 215 -1.9 0 0.0 245 -0.6 14 58
244 A 247 A LEU L E E CK - 192 0 -106.0 117.5 179.7 -156.8 1.6 164.9 192 -2.7 192 -2.3 242 -0.5 246 -0.7 12 61
245 A 248 ASP D E E CK - 191 0 -95.9 105.5 -177.4 -146.7 10.3 152.8 243 -0.6 247 -2.5 0 0.0 0 0.0 10 48
246 A 249 ALA A e + 0 0 -77.0 70.7 -174.7 138.0 51.2 115.4 190 -2.3 189 -2.6 244 -0.7 0 0.0 13 44
247 A 250 ASN N + 0 0 -108.4 21.7 178.3 92.5 36.8 88.0 245 -2.5 0 0.0 0 0.0 0 0.0 8 33
248 A 251 GLN Q S S S- 0 0 -106.7 170.9 175.5 -72.2 88.4 126.3 0 0.0 0 0.0 0 0.0 0 0.0 8 35
249 A 252 PRO P - 0 0 -57.6 145.8 175.2 -87.5 63.7 107.3 0 0.0 0 0.0 0 0.0 0 0.0 5 30
250 A 253 VAL V S S S+ 0 0 -55.6 118.0 -175.7 108.6 85.7 115.1 0 0.0 0 0.0 0 0.0 0 0.0 9 33
251 A 254 ASP D S e S- 0 0 -173.5 180.0 173.1 -80.5 73.0 160.8 0 0.0 281 -2.2 0 0.0 0 0.0 11 36
252 A 255 ASN N E E D P - 0 280 -102.5 134.9 -177.9 -169.4 43.3 157.6 0 0.0 290 -0.6 0 0.0 0 0.0 15 41
253 A 256 TYR Y E E D P - 0 279 -129.1 134.9 -179.5 -112.5 23.7 165.0 279 -2.7 279 -3.4 0 0.0 0 0.0 14 52
254 A 257 TRP W E E D P - 0 278 -67.8 137.2 166.6 -150.5 17.2 122.1 0 0.0 210 -2.5 0 0.0 256 -0.5 15 58
255 A 258 ILE I E E DMP - 209 277 -98.3 126.3 -172.0 -159.1 24.1 159.4 277 -2.7 277 -1.9 0 0.0 0 0.0 12 69
256 A 259 ARG R E E DMP + 208 276 -118.4 131.4 176.7 171.4 25.5 153.4 208 -3.0 208 -2.1 254 -0.5 0 0.0 13 68
257 A 260 ALA A E E DM - 207 0 -137.9 97.6 -174.5 -170.1 14.7 146.2 275 -2.4 0 0.0 0 0.0 0 0.0 13 73
258 A 261 GLN Q E E DM - 206 0 -97.6 115.3 -179.2 -143.1 13.3 143.9 206 -2.5 206 -2.2 0 0.0 0 0.0 14 59
259 A 262 PRO P E E DM - 205 0 -72.2 160.2 179.1 -129.7 14.5 106.6 0 0.0 0 0.0 0 0.0 0 0.0 13 58
260 A 263 ASN N S e S+ 0 0 -85.3 -12.5 177.4 18.6 93.2 54.2 204 -1.5 0 0.0 0 0.0 0 0.0 8 47
261 A 264 LYS K S S S+ 0 0 -147.8 163.9 178.9 137.2 70.4 166.4 0 0.0 0 0.0 0 0.0 0 0.0 9 43
262 A 265 GLY G g > T - 0 0 163.9 157.8 179.7 -76.9 47.2 141.4 0 0.0 265 -0.7 0 0.0 0 0.0 12 44
263 A 266 ARG R G G > TS+ 0 0 -76.5 145.3 174.6 8.0 101.8 109.6 162 -2.5 266 -1.4 0 0.0 0 0.0 11 37
264 A 267 ASN N G G 3 TS- 0 0 57.6 37.7 176.4 -49.9 135.5 37.1 0 0.0 0 0.0 0 0.0 0 0.0 6 29
265 A 268 GLY G G G X TS+ 0 0 81.1 12.7 179.5 143.3 92.0 55.9 262 -0.7 268 -2.6 0 0.0 0 0.0 8 28
266 A 269 LEU L G G X T + 0 0 -52.8 -35.5 178.9 59.9 68.3 34.2 263 -1.4 269 -1.0 0 0.0 0 0.0 17 42
267 A 270 ALA A G G 3 TS+ 0 0 -67.1 -16.6 -173.6 43.1 109.3 47.7 0 0.0 0 0.0 0 0.0 0 0.0 10 41
268 A 271 GLY G G G < TS+ 0 0 -117.9 12.8 -176.7 46.2 107.8 72.5 265 -2.6 0 0.0 0 0.0 0 0.0 6 34
269 A 272 THR T g < T - 0 0 -149.0 166.0 170.9 -163.0 39.2 165.6 266 -1.0 0 0.0 0 0.0 0 0.0 9 39
270 A 273 PHE F g > T + 0 0 -125.5 10.6 -177.0 148.0 49.4 85.2 0 0.0 273 -1.8 0 0.0 0 0.0 11 50
271 A 274 ALA A G G > T + 0 0 -57.4 138.6 -179.9 6.8 68.5 96.3 0 0.0 274 -1.4 0 0.0 0 0.0 5 39
272 A 275 ASN N G G 3 TS- 0 0 62.5 24.8 176.5 -63.2 132.4 44.3 0 0.0 0 0.0 0 0.0 0 0.0 6 41
273 A 276 GLY G G G X TS+ 0 0 81.1 15.2 173.9 151.1 87.5 48.7 270 -1.8 276 -0.8 0 0.0 0 0.0 11 53
274 A 277 VAL V T g < TS+ 0 0 -74.0 156.3 177.8 19.5 70.1 115.1 271 -1.4 0 0.0 0 0.0 0 0.0 14 59
275 A 278 ASN N T e 3 TS+ 0 0 57.2 33.0 -172.7 115.2 111.9 37.8 172 -0.6 257 -2.4 0 0.0 0 0.0 17 74
276 A 279 SER S E E D P< T + 0 256 -140.4 151.5 170.3 171.0 40.0 155.4 273 -0.8 0 0.0 0 0.0 0 0.0 14 63
277 A 280 ALA A E E D P - 0 255 -141.2 179.5 -174.9 -106.6 35.3 149.8 255 -1.9 255 -2.7 0 0.0 0 0.0 14 64
278 A 281 ILE I E E DjP - 183 254 -123.1 128.5 170.6 -156.6 10.2 163.1 182 -2.7 184 -2.9 0 0.0 280 -0.7 14 62
279 A 282 LEU L E E DjP - 184 253 -93.0 113.4 -176.0 -167.5 26.4 150.0 253 -3.4 253 -2.7 0 0.0 281 -0.5 13 64
280 A 283 ARG R E E DjP - 185 252 -112.5 122.3 174.0 -148.0 13.1 160.0 184 -2.8 186 -2.2 278 -0.7 0 0.0 12 47
281 A 284 TYR Y E E Dj > T - 186 0 -78.9 139.5 175.4 -99.2 37.4 125.1 251 -2.2 284 -2.8 279 -0.5 0 0.0 13 43
282 A 285 ALA A T e 3 TS+ 0 0 -57.1 129.0 -175.2 31.7 115.4 114.7 186 -2.3 0 0.0 0 0.0 0 0.0 9 28
283 A 286 GLY G T T 3 TS+ 0 0 103.9 -20.7 -179.9 118.0 93.6 79.2 0 0.0 0 0.0 0 0.0 0 0.0 6 25
284 A 287 ALA A S t < TS- 0 0 -76.2 166.4 -177.0 -91.9 70.5 116.0 281 -2.8 0 0.0 0 0.0 0 0.0 9 28
285 A 288 ALA A - 0 0 -76.3 161.4 172.4 -106.0 30.2 105.4 0 0.0 287 -2.0 0 0.0 0 0.0 6 24
286 A 289 ASN N S S S+ 0 0 -81.9 82.1 -177.4 99.8 87.0 126.2 0 0.0 0 0.0 0 0.0 0 0.0 4 25
287 A 290 ALA A S S S- 0 0 -159.2 164.9 176.7 -82.7 78.3 169.9 285 -2.0 0 0.0 0 0.0 0 0.0 5 31
288 A 291 ASP D - 0 0 -72.9 151.4 169.9 -103.7 50.5 116.8 0 0.0 0 0.0 0 0.0 0 0.0 8 40
289 A 292 PRO P - 0 0 -62.5 155.7 175.0 -162.8 20.0 105.9 0 0.0 0 0.0 0 0.0 0 0.0 9 42
290 A 293 THR T + 0 0 -127.4 21.3 -178.9 124.1 52.0 88.5 252 -0.6 0 0.0 0 0.0 0 0.0 7 31
291 A 294 THR T - 0 0 -79.5 163.9 176.8 -141.8 49.6 103.1 0 0.0 0 0.0 0 0.0 0 0.0 9 34
292 A 295 A SER S - 0 0 -129.1 153.6 -179.4 -99.1 23.6 157.2 0 0.0 0 0.0 0 0.0 0 0.0 7 37
293 A 296 ALA A - 0 0 -66.2 154.6 175.7 -89.3 49.1 108.5 0 0.0 0 0.0 0 0.0 0 0.0 8 40
294 A 297 ASN N - 0 0 -62.7 127.4 -178.8 -145.1 35.3 115.2 0 0.0 0 0.0 0 0.0 0 0.0 8 28
295 A 298 PRO P S S S+ 0 0 -75.0 -6.7 178.2 36.2 92.1 50.5 0 0.0 0 0.0 0 0.0 0 0.0 4 20
296 A 299 ASN N S S S- 0 0 -142.9 65.2 -175.6 -178.8 84.4 124.5 0 0.0 0 0.0 0 0.0 0 0.0 4 19
297 A 300 PRO P - 0 0 -71.4 150.9 170.5 -120.8 34.0 113.2 0 0.0 299 -0.7 0 0.0 0 0.0 8 26
298 A 301 ALA A - 0 0 -82.9 116.8 -177.6 -148.4 39.3 144.9 0 0.0 230 -2.9 0 0.0 231 -1.6 7 30
299 A 302 GLN Q B B g - 231 0 -94.8 132.4 176.2 -107.0 16.0 144.4 297 -0.7 0 0.0 0 0.0 0 0.0 8 34
300 A 303 LEU L - 0 0 -55.2 135.4 170.6 -167.7 28.8 103.4 231 -2.9 0 0.0 0 0.0 0 0.0 10 47
301 A 304 ASN N g > T - 0 0 -122.8 123.1 -175.9 -142.5 18.9 176.7 0 0.0 304 -2.2 0 0.0 0 0.0 7 47
302 A 305 GLU E G G > TS+ 0 0 -56.8 -30.2 -179.9 66.2 98.8 38.5 0 0.0 305 -1.4 0 0.0 0 0.0 8 63
303 A 306 ALA A G G 3 TS+ 0 0 -68.9 -11.2 176.4 60.1 94.7 52.1 0 0.0 0 0.0 0 0.0 0 0.0 10 50
304 A 307 ASP D G G < TS+ 0 0 -88.6 -13.6 -179.9 95.2 84.8 55.7 301 -2.2 0 0.0 0 0.0 0 0.0 7 47
305 A 308 LEU L g < T - 0 0 -84.0 132.9 -177.2 -165.0 59.2 130.9 302 -1.4 419 -0.8 0 0.0 0 0.0 11 60
306 A 309 HIS H B B H - 418 0 -126.5 133.1 179.1 -115.3 21.2 168.3 0 0.0 225 -2.2 0 0.0 0 0.0 12 46
307 A 310 ALA A B B F - 224 0 -58.9 146.1 -179.5 -159.5 19.8 106.5 417 -1.1 0 0.0 0 0.0 0 0.0 14 48
308 A 311 LEU L S S S+ 0 0 -92.1 -51.4 -175.1 47.0 71.0 29.9 223 -1.8 0 0.0 0 0.0 0 0.0 9 40
309 A 312 ILE I S S S- 0 0 -102.1 131.8 -176.0 -8.1 129.0 149.0 0 0.0 0 0.0 0 0.0 0 0.0 6 37
310 A 313 ASP D S S S- 0 0 46.9 59.8 -170.3 -178.8 81.0 20.0 0 0.0 0 0.0 0 0.0 0 0.0 5 30
311 A 314 PRO P + 0 0 -65.9 -28.9 -173.7 102.4 39.3 42.6 0 0.0 0 0.0 0 0.0 0 0.0 11 39
312 A 315 ALA A S S S- 0 0 -65.2 140.6 172.9 -122.2 73.6 107.3 0 0.0 0 0.0 0 0.0 0 0.0 8 39
313 A 316 ALA A - 0 0 -72.3 150.7 179.3 -100.3 40.9 119.5 415 -2.4 0 0.0 0 0.0 0 0.0 13 49
314 A 317 PRO P S S S+ 0 0 -69.9 153.6 172.5 14.8 78.5 112.9 0 0.0 0 0.0 0 0.0 0 0.0 10 46
315 A 318 GLY G S S S- 0 0 83.6 -179.3 -178.7 -16.7 106.8 95.3 0 0.0 0 0.0 0 0.0 0 0.0 8 38
316 A 319 ILE I - 0 0 -64.6 128.6 -174.2 -123.7 66.2 118.9 321 -0.6 318 -2.5 0 0.0 0 0.0 6 29
317 A 320 PRO P S S S+ 0 0 -78.3 59.3 -178.5 98.0 79.1 107.2 0 0.0 0 0.0 0 0.0 0 0.0 8 32
318 A 321 THR T S t > TS- 0 0 -144.9 128.8 -179.5 -100.7 83.9 170.9 316 -2.5 321 -2.5 0 0.0 0 0.0 7 33
319 A 322 PRO P T T 3 TS+ 0 0 -54.3 131.5 178.8 13.0 109.0 104.5 0 0.0 0 0.0 0 0.0 0 0.0 6 39
320 A 323 GLY G T T 3 TS+ 0 0 78.4 11.9 -177.5 110.2 96.6 61.0 0 0.0 0 0.0 0 0.0 0 0.0 6 35
321 A 324 ALA A t < T + 0 0 -108.6 19.9 175.2 116.0 43.0 84.4 318 -2.5 316 -0.6 0 0.0 0 0.0 9 30
322 A 325 ALA A S S S- 0 0 -73.7 172.8 175.4 -109.9 80.4 103.7 0 0.0 0 0.0 0 0.0 0 0.0 12 37
323 A 326 ASP D S S S+ 0 0 -69.0 -39.2 -177.4 30.0 111.7 31.4 379 -1.0 0 0.0 0 0.0 0 0.0 9 31
324 A 327 VAL V E E Eq S- 380 0 -124.1 119.3 -175.2 -171.9 75.1 177.0 379 -2.3 381 -2.7 0 0.0 326 -0.5 8 37
325 A 328 ASN N E E Eq + 381 0 -120.3 106.2 -173.0 178.5 7.7 164.4 0 0.0 0 0.0 0 0.0 0 0.0 11 37
326 A 329 LEU L E E Eq - 382 0 -117.0 131.4 178.6 -167.8 13.2 160.5 381 -2.9 383 -2.4 324 -0.5 328 -0.5 8 40
327 A 330 ARG R E E Eq - 383 0 -112.6 125.4 -179.4 -155.1 13.2 166.1 0 0.0 329 -0.5 0 0.0 0 0.0 7 40
328 A 331 PHE F e - 0 0 -107.3 130.3 179.1 -153.2 3.0 153.5 383 -2.6 330 -0.7 326 -0.5 0 0.0 10 50
329 A 332 GLN Q e - 0 0 -100.3 110.0 176.8 -154.8 13.5 145.1 327 -0.5 340 -2.8 0 0.0 0 0.0 9 45
330 A 333 LEU L E E FR + 339 0 -83.8 147.5 178.8 173.4 19.6 125.9 328 -0.7 0 0.0 0 0.0 0 0.0 15 53
331 A 334 GLY G E E FR - 338 0 -145.3 170.5 178.6 -147.4 29.4 158.6 338 -2.4 338 -2.5 0 0.0 0 0.0 10 41
332 A 335 PHE F E E FR + 337 0 -146.2 106.7 -178.1 148.0 35.7 150.8 0 0.0 0 0.0 0 0.0 0 0.0 10 33
333 A 336 SER S E E FR > T + 336 0 -148.6 138.2 178.3 7.1 59.7 171.0 336 -2.4 336 -1.0 0 0.0 0 0.0 7 23
334 A 337 GLY G T T 3 TS- 0 0 63.5 39.7 178.4 -54.2 129.5 27.1 0 0.0 0 0.0 0 0.0 0 0.0 4 19
335 A 338 GLY G T T 3 TS+ 0 0 78.0 -1.5 -178.1 93.5 119.6 62.3 0 0.0 0 0.0 0 0.0 0 0.0 6 24
336 A 339 ARG R E E FR < TS- 333 0 -130.3 147.9 175.6 -120.6 72.6 162.2 333 -1.0 333 -2.4 0 0.0 0 0.0 9 34
337 A 340 PHE F E E FR - 332 0 -77.8 148.4 -180.0 -166.5 35.1 127.3 457 -2.9 0 0.0 0 0.0 0 0.0 14 45
338 A 341 THR T E E FR - 331 0 -135.1 153.2 172.5 -152.6 21.5 161.9 331 -2.5 331 -2.4 0 0.0 0 0.0 15 46
339 A 342 ILE I E E FRI> TS- 330 342 -122.5 120.8 -175.7 -13.4 92.7 174.3 342 -2.3 342 -2.0 0 0.0 0 0.0 15 50
340 A 343 ASN N T e 3 TS- 0 0 51.1 40.9 177.6 -51.1 133.7 30.0 329 -2.8 0 0.0 0 0.0 0 0.0 8 37
341 A 344 GLY G T T 3 TS+ 0 0 84.0 -4.8 -176.5 107.0 117.4 75.1 0 0.0 343 -0.5 0 0.0 0 0.0 8 31
342 A 345 THR T B B I < T - 339 0 -118.0 124.1 175.1 -147.4 57.4 156.0 339 -2.0 339 -2.3 0 0.0 0 0.0 10 37
343 A 346 ALA A - 0 0 -81.4 126.1 178.7 -113.9 32.4 137.2 341 -0.5 0 0.0 0 0.0 0 0.0 13 41
344 A 347 TYR Y + 0 0 -62.8 133.5 177.6 176.5 38.2 114.2 458 -2.3 0 0.0 0 0.0 0 0.0 14 53
345 A 348 GLU E - 0 0 -140.0 127.1 -175.1 -108.6 35.5 174.3 0 0.0 0 0.0 0 0.0 0 0.0 6 44
346 A 349 SER S - 0 0 -61.5 134.1 178.1 -127.9 34.4 110.2 0 0.0 0 0.0 0 0.0 0 0.0 6 53
347 A 350 PRO P - 0 0 -77.3 160.5 -180.0 -118.9 14.7 111.6 0 0.0 0 0.0 0 0.0 0 0.0 9 42
348 A 351 SER S S S S+ 0 0 -72.3 -29.1 177.2 43.3 105.4 30.5 0 0.0 0 0.0 0 0.0 0 0.0 5 35
349 A 352 VAL V S S S- 0 0 -116.1 130.0 -177.0 -113.5 98.9 162.9 0 0.0 0 0.0 0 0.0 0 0.0 9 41
350 A 353 PRO P h > > T - 0 0 -62.4 143.4 -175.4 -113.5 27.9 109.1 0 0.0 354 -2.1 0 0.0 353 -1.0 13 59
351 A 354 THR T H H > 3 TS+ 0 0 -46.6 -48.6 -176.3 53.2 114.2 32.3 81 -1.8 355 -2.1 0 0.0 0 0.0 13 66
352 A 355 LEU L H H > 3 TS+ 0 0 -61.0 -37.2 176.5 46.7 111.0 24.9 82 -2.9 356 -2.6 0 0.0 0 0.0 13 69
353 A 356 LEU L H H > < TS+ 0 0 -70.0 -35.4 173.9 56.6 107.8 29.7 350 -1.0 357 -1.5 0 0.0 0 0.0 11 58
354 A 357 GLN Q H H < >TS+ 0 0 -56.9 -41.9 -179.0 43.7 112.0 26.8 350 -2.1 359 -2.0 0 0.0 0 0.0 11 50
355 A 358 ILE I H H < >5TS+ 0 0 -74.0 -40.6 177.0 52.0 111.2 22.5 351 -2.1 358 -1.4 0 0.0 0 0.0 13 51
356 A 359 A MET M H H < 35TS+ 0 0 -66.0 -21.9 178.7 56.4 106.8 42.7 352 -2.6 0 0.0 0 0.0 0 0.0 9 47
357 A 360 SER S T h < 35TS- 0 0 -83.5 -15.6 177.0 -76.4 134.4 55.1 353 -1.5 0 0.0 0 0.0 0 0.0 6 36
358 A 361 GLY G T T <5TS+ 0 0 140.5 -3.7 -178.3 151.7 71.9 67.8 355 -1.4 0 0.0 0 0.0 0 0.0 6 27
359 A 362 ALA A t TS- 0 0 -138.1 170.4 -179.8 -102.2 81.6 151.1 0 0.0 364 -1.5 0 0.0 0 0.0 8 38
362 A 365 ALA A G G > TS+ 0 0 -63.6 -26.7 179.4 68.6 116.3 40.0 0 0.0 365 -1.0 0 0.0 0 0.0 10 43
363 A 366 ASN N G G 3 TS+ 0 0 -64.1 -27.3 178.2 51.3 98.2 37.8 0 0.0 0 0.0 0 0.0 0 0.0 5 27
364 A 367 ASP D G G < TS+ 0 0 -85.2 -9.1 -176.5 93.5 97.5 61.3 361 -1.5 0 0.0 0 0.0 0 0.0 7 33
365 A 368 LEU L S g < TS- 0 0 -94.6 148.0 178.2 -101.0 71.5 130.1 362 -1.0 0 0.0 0 0.0 0 0.0 12 46
366 A 369 LEU L S S S+ 0 0 -112.3 150.9 -1.1 50.0 89.1 147.5 0 0.0 0 0.0 0 0.0 0 0.0 8 43
367 A 370 PRO P S t > TS- 0 0 -82.6 143.9 178.7 -130.8 83.9 70.9 0 0.0 370 -2.1 0 0.0 0 0.0 10 45
368 A 371 ALA A T T 3 TS+ 0 0 -52.5 134.0 175.2 16.9 88.4 104.2 0 0.0 0 0.0 0 0.0 0 0.0 7 36
369 A 372 GLY G T T 3 TS+ 0 0 84.8 -5.9 179.3 73.9 113.1 71.1 0 0.0 0 0.0 0 0.0 0 0.0 5 37
370 A 373 SER S S e < TS+ 0 0 -114.5 -7.9 -175.8 82.9 76.2 64.1 367 -2.1 462 -2.7 0 0.0 0 0.0 13 53
371 A 374 VAL V E E Gs - 462 0 -108.6 129.5 -178.6 -173.9 51.8 154.3 0 0.0 0 0.0 0 0.0 0 0.0 13 54
372 A 375 TYR Y E E Gs - 463 0 -120.2 119.2 179.5 -139.0 18.2 166.3 462 -2.9 464 -2.0 0 0.0 0 0.0 9 53
373 A 376 GLU E E E Gs - 464 0 -76.7 144.3 173.4 -162.5 15.8 118.7 0 0.0 0 0.0 0 0.0 0 0.0 11 52
374 A 377 LEU L E E Gs - 465 0 -125.9 146.1 179.1 -125.6 15.2 169.4 464 -2.6 466 -2.5 0 0.0 0 0.0 9 50
375 A 378 PRO P - 0 0 -78.9 170.3 178.6 -87.2 36.3 108.0 0 0.0 0 0.0 0 0.0 0 0.0 9 36
376 A 379 ARG R S S S- 0 0 -83.7 136.0 169.6 -3.6 96.5 125.2 0 0.0 0 0.0 0 0.0 0 0.0 9 36
377 A 380 ASN N S S S+ 0 0 56.6 52.0 -179.7 128.9 94.3 20.3 439 -2.5 0 0.0 0 0.0 0 0.0 7 32
378 A 381 GLN Q e - 0 0 -129.0 163.2 177.4 -106.6 63.0 159.8 0 0.0 439 -2.2 0 0.0 380 -0.6 10 35
379 A 382 VAL V E E E T - 0 438 -95.6 123.8 -179.4 -163.0 35.0 143.4 0 0.0 324 -2.3 0 0.0 323 -1.0 13 43
380 A 383 VAL V E E EqT - 324 437 -108.5 136.7 175.7 -167.4 7.0 152.2 437 -2.9 437 -1.6 378 -0.6 0 0.0 13 52
381 A 384 GLU E E E EqT - 325 436 -122.4 128.2 179.9 -166.5 6.5 171.9 324 -2.7 326 -2.9 0 0.0 0 0.0 14 53
382 A 385 LEU L E E EqT - 326 435 -117.8 132.3 177.1 -167.0 5.4 162.9 435 -2.7 435 -2.5 0 0.0 0 0.0 11 64
383 A 386 VAL V E E EqT + 327 434 -115.7 123.4 -177.2 177.6 8.0 168.8 326 -2.4 328 -2.6 0 0.0 0 0.0 12 56
384 A 387 VAL V E E E T - 0 433 -129.4 84.6 -177.3 -153.1 17.2 137.7 433 -2.2 433 -0.5 0 0.0 0 0.0 12 60
385 A 388 PRO P E E E T - 0 432 -58.8 138.9 177.3 -130.1 12.9 106.3 0 0.0 0 0.0 0 0.0 0 0.0 13 48
386 A 389 ALA A e + 0 0 -81.4 174.0 179.7 100.1 65.8 109.4 431 -1.2 430 -0.6 0 0.0 0 0.0 16 44
387 A 390 GLY G + 0 0 141.4 -39.5 -179.6 118.4 45.6 95.5 0 0.0 0 0.0 0 0.0 0 0.0 9 36
388 A 391 VAL V S t > TS- 0 0 -59.3 140.5 -175.3 -95.4 74.0 110.2 0 0.0 391 -0.6 0 0.0 0 0.0 9 44
389 A 392 LEU L T T 3 TS+ 0 0 -60.3 159.6 178.6 44.6 101.3 90.8 0 0.0 0 0.0 0 0.0 0 0.0 5 37
390 A 393 GLY G T T 3 TS- 0 0 87.8 6.6 178.7 -173.4 95.9 59.9 0 0.0 0 0.0 0 0.0 0 0.0 5 44
391 A 394 GLY G t < T + 0 0 -73.5 -179.1 -1.4 77.1 58.6 91.5 388 -0.6 0 0.0 0 0.0 0 0.0 10 50
392 A 395 PRO P - 0 0 -74.7 136.9 -176.8 -164.0 67.4 70.1 0 0.0 0 0.0 0 0.0 0 0.0 9 54
393 A 396 HIS H e - 0 0 -94.3 122.6 -178.4 -153.8 7.4 141.7 0 0.0 426 -2.3 0 0.0 395 -0.9 12 66
394 A 397 PRO P E E GU - 425 0 -96.1 104.9 -179.9 -158.2 16.2 141.3 0 0.0 450 -2.9 0 0.0 0 0.0 13 64
395 A 398 PHE F E E GUV - 424 449 -89.3 144.0 -179.8 -158.5 3.9 130.5 424 -2.2 424 -2.5 393 -0.9 0 0.0 12 78
396 A 399 A HIS H E E GUV - 423 448 -124.3 138.3 177.6 -151.7 6.5 161.6 448 -3.0 448 -1.9 0 0.0 398 -0.5 12 72
397 A 400 LEU L E E G V> T - 0 447 -108.1 125.2 177.4 -146.9 13.7 162.1 422 -1.6 400 -0.6 0 0.0 0 0.0 12 74
398 A 401 HIS H T e 3 TS+ 0 0 -81.2 157.8 174.0 26.9 78.5 119.3 446 -2.7 0 0.0 396 -0.5 0 0.0 12 72
399 A 402 GLY G T T 3 TS+ 0 0 82.0 -15.0 -174.6 47.4 116.9 68.8 68 -0.6 0 0.0 0 0.0 0 0.0 11 65
400 A 403 HIS H t < T - 0 0 -152.3 154.9 161.9 -132.2 65.5 169.7 397 -0.6 0 0.0 0 0.0 0 0.0 11 66
401 A 404 ALA A - 0 0 -96.6 155.7 178.6 -154.3 36.7 139.0 0 0.0 0 0.0 0 0.0 0 0.0 12 65
402 A 405 PHE F E E EW - 421 0 -130.6 160.2 174.9 -116.3 16.4 162.0 421 -3.1 421 -2.2 0 0.0 0 0.0 10 70
403 A 406 SER S E E EWX - 420 436 -89.8 132.2 178.9 -139.7 23.3 138.2 436 -2.8 436 -2.3 0 0.0 405 -1.2 12 68
404 A 407 VAL V E E E X + 0 435 -92.7 92.5 -177.2 174.2 26.8 142.8 419 -2.8 0 0.0 0 0.0 0 0.0 15 71
405 A 408 VAL V E E E * S+ 0 0 -71.8 -22.7 176.5 25.8 74.5 44.2 403 -1.2 414 -2.2 434 -0.8 0 0.0 14 60
406 A 409 ARG R E E E X S- 0 434 -142.5 114.9 177.9 -163.5 78.4 156.8 434 -1.8 434 -2.0 0 0.0 0 0.0 14 55
407 A 410 SER S t > T - 0 0 -91.1 173.4 176.4 -79.7 35.7 119.2 0 0.0 410 -1.5 0 0.0 0 0.0 14 55
408 A 411 ALA A T T 3 TS+ 0 0 -64.3 144.5 177.7 23.5 116.9 109.4 0 0.0 0 0.0 0 0.0 0 0.0 12 47
409 A 412 GLY G T T 3 TS+ 0 0 78.1 0.1 -178.4 99.6 104.8 63.2 0 0.0 0 0.0 0 0.0 0 0.0 7 36
410 A 413 SER S t < T - 0 0 -120.1 143.5 177.5 -170.4 49.4 159.4 407 -1.5 0 0.0 0 0.0 0 0.0 9 36
411 A 414 SER S + 0 0 -105.3 -3.0 -174.1 87.9 69.0 70.7 0 0.0 0 0.0 0 0.0 0 0.0 6 32
412 A 415 THR T - 0 0 -100.9 154.3 178.0 -140.4 67.3 131.4 0 0.0 0 0.0 0 0.0 0 0.0 5 32
413 A 416 TYR Y - 0 0 -109.4 154.3 175.7 -158.8 5.6 148.4 0 0.0 0 0.0 0 0.0 0 0.0 9 44
414 A 417 ASN N + 0 0 -135.2 111.7 178.2 158.6 23.4 160.0 405 -2.2 0 0.0 0 0.0 0 0.0 9 44
415 A 418 PHE F + 0 0 -107.0 -4.4 -177.3 67.0 69.1 63.3 0 0.0 313 -2.4 0 0.0 0 0.0 11 44
416 A 419 VAL V S S S- 0 0 -84.0 -44.2 -178.9 -15.3 125.9 29.2 0 0.0 0 0.0 0 0.0 0 0.0 7 34
417 A 420 ASN N S S S+ 0 0 -159.9 49.5 178.4 163.4 77.3 92.5 0 0.0 307 -1.1 0 0.0 0 0.0 11 42
418 A 421 PRO P B B H - 306 0 -67.2 157.4 176.7 -90.3 49.1 104.8 0 0.0 0 0.0 0 0.0 0 0.0 16 55
419 A 422 VAL V e - 0 0 -66.3 144.0 173.8 -143.4 35.5 108.6 305 -0.8 404 -2.8 0 0.0 0 0.0 15 59
420 A 423 LYS K E E EW + 403 0 -107.5 139.6 179.6 141.8 36.7 160.9 0 0.0 0 0.0 0 0.0 0 0.0 13 68
421 A 424 ARG R E E EW - 402 0 -158.8 -172.6 -178.4 -126.6 49.3 148.9 402 -2.2 402 -3.1 0 0.0 0 0.0 13 75
422 A 425 ASP D S e S+ 0 0 -130.5 -3.2 172.3 45.5 90.4 58.7 0 0.0 397 -1.6 0 0.0 0 0.0 13 67
423 A 426 VAL V E E GU - 396 0 -133.8 127.9 -178.6 -178.7 66.9 176.6 0 0.0 0 0.0 0 0.0 0 0.0 14 73
424 A 427 VAL V E E GU - 395 0 -133.3 132.4 175.6 -127.3 26.2 173.6 395 -2.5 395 -2.2 0 0.0 0 0.0 11 71
425 A 428 SER S E E GU - 394 0 -73.4 133.4 177.6 -149.7 11.1 129.5 0 0.0 0 0.0 0 0.0 0 0.0 11 71
426 A 429 LEU L e - 0 0 -77.1 -11.1 175.7 -152.2 34.0 50.7 393 -2.3 0 0.0 0 0.0 0 0.0 17 63
427 A 430 GLY G - 0 0 85.7 -144.6 -174.7 -41.5 29.4 122.4 0 0.0 0 0.0 0 0.0 0 0.0 12 47
428 A 431 VAL V S t > TS- 0 0 -124.2 170.6 177.1 -52.3 79.7 139.0 0 0.0 431 -2.6 0 0.0 0 0.0 11 33
429 A 432 THR T T T 3 TS+ 0 0 -47.0 129.1 -178.6 32.3 125.9 95.9 0 0.0 0 0.0 0 0.0 0 0.0 8 27
430 A 433 GLY G T T 3 TS+ 0 0 105.7 -20.5 178.5 115.4 92.2 84.8 386 -0.6 0 0.0 0 0.0 0 0.0 7 28
431 A 434 ASP D e < T - 0 0 -79.1 148.9 179.4 -171.1 43.4 120.1 428 -2.6 386 -1.2 0 0.0 0 0.0 14 41
432 A 435 GLU E E E ET - 385 0 -140.6 69.6 -179.8 -160.9 11.9 126.4 0 0.0 0 0.0 0 0.0 0 0.0 12 46
433 A 436 VAL V E E ET - 384 0 -56.3 128.8 -173.4 -165.7 9.9 113.7 384 -0.5 384 -2.2 0 0.0 0 0.0 16 61
434 A 437 THR T E E ETX - 383 406 -128.4 126.7 -176.7 -179.7 8.4 170.1 406 -2.0 406 -1.8 0 0.0 405 -0.8 12 65
435 A 438 ILE I E E ETX - 382 404 -129.1 154.4 178.7 -157.0 8.9 160.6 382 -2.5 382 -2.7 0 0.0 0 0.0 12 72
436 A 439 ARG R E E ETX + 381 403 -133.3 148.4 173.8 156.0 16.9 166.2 403 -2.3 403 -2.8 0 0.0 0 0.0 14 64
437 A 440 PHE F E E ET - 380 0 -155.6 166.6 178.5 -111.4 36.5 164.9 380 -1.6 380 -2.9 0 0.0 0 0.0 13 63
438 A 441 VAL V E E ET - 379 0 -103.5 141.3 -179.8 -121.0 28.3 150.4 0 0.0 440 -2.1 0 0.0 0 0.0 9 50
439 A 442 THR T e + 0 0 -84.0 73.9 -177.0 134.7 63.9 111.8 378 -2.2 377 -2.5 0 0.0 0 0.0 14 53
440 A 443 ASP D + 0 0 -106.6 20.0 -173.7 71.6 49.7 87.4 438 -2.1 0 0.0 0 0.0 0 0.0 7 45
441 A 444 ASN N S S S- 0 0 -147.9 90.3 -176.9 -143.1 71.7 139.9 0 0.0 0 0.0 0 0.0 0 0.0 11 52
442 A 445 PRO P + 0 0 -57.9 126.5 177.6 63.4 58.8 111.0 0 0.0 0 0.0 0 0.0 0 0.0 15 54
443 A 446 GLY G E E G Y S- 0 465 143.5 168.7 178.8 -60.5 87.6 139.8 465 -2.7 465 -2.0 0 0.0 0 0.0 12 66
444 A 447 PRO P E E G Y - 0 464 -83.3 124.4 -177.1 -172.8 50.8 136.1 0 0.0 0 0.0 0 0.0 0 0.0 13 76
445 A 448 TRP W E E G Y - 0 463 -126.4 132.4 177.4 -124.8 20.2 167.8 463 -2.7 463 -2.7 0 0.0 0 0.0 13 76
446 A 449 PHE F E E G Y - 0 462 -69.8 148.3 174.3 -172.7 19.6 113.4 0 0.0 398 -2.7 0 0.0 0 0.0 13 76
447 A 450 PHE F E E GVY + 397 461 -139.4 107.6 -175.9 128.4 32.5 159.8 461 -2.3 461 -2.2 0 0.0 0 0.0 12 81
448 A 451 HIS H E E GVY - 396 460 -158.0 166.9 173.7 -77.7 63.3 170.0 396 -1.9 396 -3.0 0 0.0 0 0.0 11 77
449 A 452 CYS C E E GV - 395 0 -69.0 129.8 -176.6 -147.1 36.5 120.8 459 -1.9 0 0.0 0 0.0 0 0.0 13 66
450 A 453 HIS H S e S+ 0 0 -84.0 -1.7 171.2 108.1 70.0 65.4 394 -2.9 452 -0.8 0 0.0 0 0.0 15 68
451 A 454 ILE I S h > > TS- 0 0 -68.3 110.6 -172.3 -145.0 70.9 140.7 0 0.0 455 -1.8 0 0.0 454 -1.2 13 61
452 A 455 GLU E H H > 3 TS+ 0 0 -57.0 -37.9 177.0 54.6 93.3 29.7 201 -1.9 456 -2.5 450 -0.8 0 0.0 12 63
453 A 456 PHE F H H > 3 TS+ 0 0 -65.7 -26.2 -180.0 48.6 110.7 37.2 201 -0.5 457 -0.6 0 0.0 0 0.0 9 51
454 A 457 HIS H H H 4 X>TS+ 0 0 -80.6 -42.4 176.0 50.4 108.6 23.4 451 -1.2 459 -2.3 0 0.0 457 -0.5 11 56
455 A 458 LEU L H H < >5TS+ 0 0 -56.7 -47.2 177.7 50.3 112.1 19.3 451 -1.8 458 -1.7 0 0.0 0 0.0 13 60
456 A 459 MET M H H < 35TS+ 0 0 -65.8 -22.5 176.7 52.6 108.3 45.3 452 -2.5 0 0.0 0 0.0 0 0.0 9 49
457 A 460 ASN N T h < <5TS- 0 0 -100.1 17.8 171.4 -82.1 133.3 81.7 453 -0.6 337 -2.9 454 -0.5 0 0.0 11 42
458 A 461 GLY G T T <5TS+ 0 0 109.7 -4.2 -173.1 136.7 80.3 69.9 455 -1.7 344 -2.3 0 0.0 460 -1.9 13 49
459 A 462 LEU L e > T - 0 0 48.2 63.4 179.8 -176.7 68.5 20.1 374 -2.5 469 -1.2 464 -0.5 470 -0.5 14 48
467 A 470 MET M H H > > TS+ 0 0 -56.4 -43.0 -177.3 62.8 74.5 29.1 0 0.0 470 -1.4 0 0.0 471 -0.6 14 47
468 A 471 ALA A H H 4 3 TS+ 0 0 -58.1 -29.8 -176.3 36.4 111.4 39.8 0 0.0 0 0.0 0 0.0 0 0.0 6 37
469 A 472 ASN N H H > < TS+ 0 0 -106.5 9.5 -178.1 96.0 91.4 68.3 466 -1.2 473 -2.3 0 0.0 0 0.0 8 35
470 A 473 THR T H H X < TS+ 0 0 -68.0 -42.6 178.6 47.0 84.1 24.5 467 -1.4 474 -1.6 466 -0.5 0 0.0 13 49
471 A 474 VAL V H H < TS+ 0 0 -65.5 -42.5 179.3 46.6 115.1 20.0 467 -0.6 0 0.0 0 0.0 0 0.0 10 36
472 A 475 ASP D H H 4 TS+ 0 0 -64.6 -38.1 -176.5 48.9 113.4 22.3 0 0.0 0 0.0 0 0.0 0 0.0 6 30
473 A 476 ALA A H H < TS+ 0 0 -72.6 -32.6 -173.4 55.0 107.8 36.6 469 -2.3 0 0.0 0 0.0 0 0.0 10 38
474 A 477 ASN N h < T - 0 0 -111.0 128.5 179.6 -179.9 52.2 157.4 470 -1.6 0 0.0 0 0.0 0 0.0 11 46
475 A 478 ASN N - 0 0 -129.5 79.4 -179.8 -166.9 15.4 136.4 72 -0.8 0 0.0 0 0.0 0 0.0 8 36
476 A 479 PRO P - 0 0 -61.5 147.1 175.4 -107.5 26.8 108.7 0 0.0 0 0.0 0 0.0 0 0.0 9 44
477 A 480 PRO P h > > T - 0 0 -68.0 162.0 179.2 -104.6 33.3 110.4 0 0.0 480 -1.9 0 0.0 481 -0.6 6 34
478 A 481 VAL V H H > 3 TS+ 0 0 -58.8 -33.2 178.7 61.8 120.8 27.8 0 0.0 482 -1.3 0 0.0 0 0.0 6 25
479 A 482 GLU E H H > 3 TS+ 0 0 -66.1 -22.7 -180.0 71.4 90.3 44.3 0 0.0 483 -0.8 0 0.0 0 0.0 8 33
480 A 483 TRP W H H 4 X TS+ 0 0 -64.7 -51.8 -180.0 38.1 101.6 17.9 477 -1.9 483 -1.1 0 0.0 0 0.0 11 52
481 A 484 ALA A H H X > TS+ 0 0 -68.0 -28.3 178.9 66.5 109.0 26.8 477 -0.6 484 -1.3 0 0.0 485 -0.9 11 46
482 A 485 GLN Q H H X 3 TS+ 0 0 -64.8 -21.0 173.6 74.3 83.9 43.4 478 -1.3 486 -2.5 0 0.0 0 0.0 8 35
483 A 486 LEU L H H X < TS+ 0 0 -55.2 -44.9 -177.2 49.0 95.5 25.5 480 -1.1 487 -2.9 479 -0.8 0 0.0 13 49
484 A 487 CYS C H H > < TS+ 0 0 -65.8 -36.9 179.6 49.3 110.5 26.3 481 -1.3 488 -2.8 0 0.0 0 0.0 12 46
485 A 488 GLU E H H X TS+ 0 0 -69.0 -42.8 178.4 44.5 114.8 20.2 481 -0.9 489 -1.1 0 0.0 0 0.0 8 30
486 A 489 ILE I H H < TS+ 0 0 -64.7 -43.3 179.4 47.4 116.7 22.7 482 -2.5 0 0.0 0 0.0 0 0.0 9 34
487 A 490 TYR Y H H < > TS+ 0 0 -63.8 -46.9 -179.1 50.0 110.2 21.8 483 -2.9 490 -1.4 0 0.0 0 0.0 11 40
488 A 491 ASP D H H < 3 TS+ 0 0 -66.4 -20.7 -179.8 56.3 107.7 46.3 484 -2.8 0 0.0 0 0.0 0 0.0 6 32
489 A 492 ASP D T h < 3 TS+ 0 0 -88.4 -10.4 -178.5 126.7 78.5 63.5 485 -1.1 0 0.0 0 0.0 0 0.0 6 25
490 A 493 LEU L t < T - 0 0 -54.1 136.3 175.3 -122.3 61.2 108.2 487 -1.4 0 0.0 0 0.0 0 0.0 8 27
491 A 494 PRO P h > > T - 0 0 -72.1 158.0 -179.7 -104.5 28.5 108.1 0 0.0 494 -1.5 0 0.0 495 -0.6 6 20
492 A 495 PRO P H H > > TS+ 0 0 -54.9 -37.6 179.7 57.1 118.4 32.5 0 0.0 495 -1.0 0 0.0 496 -0.8 6 19
493 A 496 GLU E H H 4 3 TS+ 0 0 -70.0 -20.3 -179.0 62.9 98.1 46.1 0 0.0 0 0.0 0 0.0 0 0.0 5 24
494 A 497 ALA A H H 4 < TS+ 0 0 -78.2 -19.7 -178.3 26.3 116.9 45.1 491 -1.5 0 0.0 0 0.0 0 0.0 8 30
495 A 498 THR T H H < < TS+ 0 0 -124.9 3.1 179.7 127.1 87.9 70.9 492 -1.0 0 0.0 491 -0.6 0 0.0 11 36
496 A 499 SER S h < T - 0 0 -63.1 148.7 179.5 -140.9 50.3 110.2 492 -0.8 0 0.0 0 0.0 0 0.0 7 28
497 A 500 ILE I - 0 0 -117.8 124.6 178.7 -148.7 3.2 163.7 0 0.0 499 -0.8 0 0.0 0 0.0 9 33
498 A 501 GLN Q - 0 0 -91.7 107.1 179.2 -145.7 16.8 148.7 55 -2.8 0 0.0 0 0.0 0 0.0 7 24
499 A 502 THR T 0 0 -78.2 145.5 -172.9 999.9 999.9 120.7 497 -0.8 0 0.0 0 0.0 0 0.0 6 24
500 A 503 VAL V 0 0 -140.0 999.9 999.9 999.9 999.9 134.4 0 0.0 0 0.0 0 0.0 0 0.0 6 22
1hfuA.pdb
1HFU OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EE SEEEEEEEEEEE TTS EEEEEETTBSS EEEEETT EEEEEEE TTS SB EEEET TT GGGS TTTS B TT EEEEEE T Kabs/Sand
chirality ---++----+-+---++-+-+-+-----+-----++--++--++----++++-++--+------++---++++++-+-+++------++-----+---- chirality
bends SS SSS SSSSSS SS SSS S SS SS SSS SSSS SS S bends
turns TTTT TTTT TTTT TTTT TTTT TTTTTTTT TTTTT TTTT TT turns
5-turns 5-turns
3-turns >33< >33< >33< >33< >33< >33X>3<< >33< >33< >3 3-turns
bridge-2 CCCCCC A dddd EEEEEE bridge-2
bridge-1 aa bbbbbb CCCCCC A aa bbbbbb B FFFF B EEEEEE bridge-1
sheets AA BBBBBBBBBBB BBBBBB AAAAA BBBBBBB AAAA BBBBBB sheets
4-turns >444< 4-turns
summary eEE eEEEEEEEEEEEtTTt EEEEEEeTBSS EEEEEeTt EEEEEEEe tTTt SBeEEEETt tTTgGGGg tTTTt BtTTeEEEEEE tT summary
sequence AIVNSVDTMTLTNANVSPDGFTRAGILVNGVHGPLIRGGKNDNFELNVVNDLDNPTMLRPTSIHWHGLFQRGTNWADGADGVNQCPISPGHAFLYKFTPA sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand T EEEEEEE STTGGGGT EEEEEEE TT TTGGG SB STTSEEEEEEE SS GGG SEEEETTB BTT EEEE TT EEEEEEEE Kabs/Sand
chirality +-+-+--+--+--++++-+++-------++-+++++-+++-+++---+----+--+++ -+-----++---++---------+--++--------++- chirality
bends S S SSS SSSS SS SS SS S SSSS SS SSS S SSS SS SS bends
turns TT TTTTTTTTT TTTTTTTTTT TTTT TTTTT TTTT TTTT TTTT turns
5-turns >5555< 5-turns
3-turns 3< >3>X><<< >33X3>X3<< >33< >>3<< >33< >33< >33< 3-turns
bridge-2 GGGGGG GGGGGG IIII D E KKKKKKK bridge-2
bridge-1 FFFF dddd c hhhh IIII E D jjjj c hhhh bridge-1
sheets AAAAAAA AAAAAAA CCCCCCC CCCC DDDD CCCCCCCC sheets
4-turns 4-turns
summary Tt EEEEEEEetTgGGGGgeEEEEEEEtTTtTgGGGgSB tTTeEEEEEEE SSgGGGg SEEEEeTB BTTt eEEEEtTTeEEEEEEEEe summary
sequence GHAGTFWYHSHFGTQYCDGLRGPMVIYDDNDPHAALYDEDDENTIITLADWYHIPAPSIQQPDATLINGKGRYVGGPAAELSIVNVEQGKKYRMRLISLS sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand SS EEEEETT EEEEEETTEEEEEEEESBEEE TT EEEEEEE S SSEEEEEEEESS GGGGGG GGGTTEEEEEETTS SS SS B Kabs/Sand
chirality -+----+--++----++---+------+-+------+---+----++--+-----+---++-+-++++-++-++++-----++--+---+----+----- chirality
bends SS SS SSS S SS S SS SS SSS SS SSSS SSS SS SS bends
turns TTTT TTTT TTTT TTTTTTTTTTTTTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >>3XX3<<>>3X<3< >33< 3-turns
bridge-2 MMMMM OO*OO F OOOO PPPPP PPPPP bridge-2
bridge-1 LLL NNN*NN NN***NNN gLLL KKKKKKK MMMMM jjjj g bridge-1
sheets DDDDD CCCCCC CCCCCCCC DDD CCCCCCC DDDDDDDD DDDDDD sheets
4-turns 4-turns
summary SS eEEEEEeTt EEEEEEeTEEEEEEEESBEEEtTTeEEEEEEEe S SeEEEEEEEEeSgGGGGGGggGGGgeEEEEEEeTt SS SS B summary
sequence CDPNWQFSIDGHELTIIEVDGELTEPHTVDRLQIFTGQRYSFVLDANQPVDNYWIRAQPNKGRNGLAGTFANGVNSAILRYAGAANADPTTSANPNPAQL sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand GGG BBSSS S SS SSTT SSEEEE EEEETTEEEETTB SS HHHHHHTT SGGGSSSTTSEEEE SS EEEEEEE STT EEEETT Kabs/Sand
chirality -+++---+--+--+--+-+++-+-+----+-++-+-----+--+---+--++++++-+-+-+++-+-+++------+-----+--++-+-+------++- chirality
bends SSS SSS S SS SSSS SSS SSS SSS SS SSSSSSSS SSSSSSSSSS SS SSS SS bends
turns TTTTT TTTT TTTT TTTT TTTTTTTTTT TTTTT TTTT TTTT TTTT turns
5-turns >5555< 5-turns
3-turns >>3<< >33< >33< >33< >33< >33< >>3<< >33< >33< >33< 3-turns
bridge-2 I TTTTTTT VVV bridge-2
bridge-1 HF qqqq RRRR RRRR I ssss qqqq UUU bridge-1
sheets EEEE FFFF FFFF GGGG EEEEEEE GGGG sheets
4-turns >>>><<<< 4-turns
summary gGGGgBBSSS S SS StTTtSSEEEEeeEEEETTEEEEeTB SShHHHHHHhTt gGGGgStTTeEEEE SSeEEEEEEEe tTTt eEEEEeTt summary
sequence NEADLHALIDPAAPGIPTPGAADVNLRFQLGFSGGRFTINGTAYESPSVPTLLQIMSGAQSANDLLPAGSVYELPRNQVVELVVPAGVLGGPHPFHLHGH sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand EEEEE TT SSB EESEEE STT EEEEEEE S EEEEEEESSHHHHHTT EEEEEE HHHHHHH HHHHHHHHHHHT HHHH Kabs/Sand
chirality ---++--++-+--++-+--+-+------++-----+--++-+----+--+-+++++-++-------+++++++----++++++++++++--++++--- chirality
bends SS SS SS S SSS S S SSSSSSSSS SSSSSSS SSSSSSSSSSSS SSSS bends
turns TTTT TTTT TTTTTTTTT TTTTTTTTT TTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33X>3<< >>3<< >33X>3<< >33<>>3<< 3-turns
bridge-2 XX*X XXX YYYYYY YYYYYY bridge-2
bridge-1 WW H WW UUU TTTTTTT VVV ssss bridge-1
sheets EEEEE EE GGG EEEEEEE GGGGGGG GGGGGG sheets
4-turns >>>4<<< >>4>X<4<< >>>4XXX>X<<<< >>44<< 4-turns
summary EEEEEtTTt SSBeEEeEEEe tTTeEEEEEEEe S EEEEEEEehHHHHHhTeEEEEEEhHHHHHHHh hHHHHHHHHHHHhthHHHHh summary
sequence AFSVVRSAGSSTYNFVNPVKRDVVSLGVTGDEVTIRFVTDNPGPWFFHCHIEFHLMNGLAIVFAEDMANTVDANNPPVEWAQLCEIYDDLPPEATSIQTV sequence
410 420 430 440 450 460 470 480 490 500
Messages
chain break between 160(A 160 ) and 161(A 164 )