Secondary structure calculation program - copyright by David Keith Smith, 1989
1lvoA.pdb
1LVO REPLICATION MOL_ID: 1; MOL_ID: 1;
Sequence length - 299
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 SER S 0 0 999.9 -179.9 -178.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 27
2 A 2 GLY G - 0 0 98.0 140.6 179.1 -120.2 999.9 76.5 0 0.0 4 -0.5 0 0.0 0 0.0 6 28
3 A 3 LEU L + 0 0 -118.7 118.6 178.1 159.6 37.1 162.5 0 0.0 0 0.0 0 0.0 0 0.0 9 41
4 A 4 ARG R - 0 0 -133.3 148.8 176.6 -112.7 45.6 168.3 2 -0.5 6 -0.6 0 0.0 0 0.0 4 41
5 A 5 LYS K - 0 0 -76.2 124.9 178.2 -173.6 49.7 131.2 0 0.0 0 0.0 0 0.0 0 0.0 7 45
6 A 6 MET M - 0 0 -118.0 170.6 174.5 -141.3 20.6 134.0 4 -0.6 0 0.0 0 0.0 0 0.0 6 36
7 A 7 ALA A - 0 0 -123.7 151.0 172.8 -114.6 24.7 161.2 0 0.0 0 0.0 0 0.0 0 0.0 10 41
8 A 8 GLN Q - 0 0 -77.1 151.3 -179.3 -74.7 55.7 121.4 0 0.0 0 0.0 0 0.0 0 0.0 8 40
9 A 9 PRO P - 0 0 -52.0 142.5 -177.0 -152.0 35.9 97.7 0 0.0 0 0.0 0 0.0 0 0.0 5 34
10 A 10 SER S t > > T + 0 0 -97.7 1.7 -174.6 110.2 61.1 69.4 0 0.0 14 -2.2 0 0.0 13 -0.9 8 43
11 A 11 GLY G T T 4 3 TS+ 0 0 -52.6 -37.8 -179.5 49.8 79.7 33.8 0 0.0 0 0.0 0 0.0 0 0.0 6 36
12 A 12 LEU L T T 4 3 TS+ 0 0 -71.7 -29.6 -178.7 42.9 115.5 35.5 0 0.0 0 0.0 0 0.0 0 0.0 8 38
13 A 13 VAL V T g 4 X TS+ 0 0 -84.2 -36.8 -176.5 73.4 95.8 30.8 10 -0.9 16 -2.2 0 0.0 0 0.0 9 57
14 A 14 GLU E G G < > TS+ 0 0 -49.3 -42.4 179.9 57.4 91.0 36.9 10 -2.2 17 -1.4 0 0.0 0 0.0 9 51
15 A 15 PRO P G G 3 TS+ 0 0 -64.6 -17.1 -176.6 58.9 102.8 45.9 0 0.0 0 0.0 0 0.0 0 0.0 8 45
16 A 16 CYS C G e < TS+ 0 0 -91.1 -7.2 -177.6 107.9 80.2 57.2 13 -2.2 31 -3.3 0 0.0 0 0.0 12 58
17 A 17 ILE I E E AA < T + 30 0 -81.4 129.6 178.3 173.5 44.3 125.8 14 -1.4 0 0.0 0 0.0 0 0.0 15 66
18 A 18 VAL V E E AA - 29 0 -132.8 158.6 176.9 -117.4 33.1 155.2 29 -2.4 29 -2.8 0 0.0 0 0.0 14 66
19 A 19 ARG R E E AAB - 28 68 -89.8 129.7 176.8 -172.0 30.2 143.8 68 -2.6 68 -2.4 0 0.0 0 0.0 15 61
20 A 20 VAL V E E AAB + 27 67 -127.8 124.0 176.0 176.0 6.5 176.4 27 -2.5 27 -2.6 0 0.0 0 0.0 15 62
21 A 21 SER S E E AAB + 26 66 -123.6 160.1 178.8 163.8 11.2 151.1 66 -2.6 66 -1.5 0 0.0 0 0.0 12 55
22 A 22 TYR Y E E AA > T - 25 0 -172.1 119.7 -179.0 -23.9 68.9 138.0 25 -2.2 25 -1.7 0 0.0 0 0.0 11 49
23 A 23 GLY G T T 3 TS- 0 0 72.3 -135.8 179.7 -28.0 127.7 121.8 0 0.0 0 0.0 0 0.0 0 0.0 9 28
24 A 24 ASN N T T 3 TS+ 0 0 -94.2 3.6 -176.9 103.5 117.1 70.6 0 0.0 0 0.0 0 0.0 0 0.0 6 27
25 A 25 ASN N E E AA < T + 22 0 -98.2 131.6 178.7 174.4 41.8 141.7 22 -1.7 22 -2.2 0 0.0 0 0.0 8 40
26 A 26 VAL V E E AA + 21 0 -130.8 126.0 179.6 134.7 19.9 177.2 0 0.0 0 0.0 0 0.0 0 0.0 11 46
27 A 27 LEU L E E AA - 20 0 -152.5 -164.6 -179.9 -73.9 49.4 146.1 20 -2.6 20 -2.5 0 0.0 0 0.0 16 55
28 A 28 ASN N E E AA - 19 0 -107.9 157.1 179.1 -169.3 33.4 135.0 144 -2.5 0 0.0 0 0.0 0 0.0 19 66
29 A 29 GLY G E E AA - 18 0 -135.9 161.9 178.5 -121.4 22.9 155.3 18 -2.8 18 -2.4 0 0.0 31 -0.5 15 76
30 A 30 LEU L E E AAC - 17 37 -110.2 123.1 -176.6 -153.8 22.2 160.2 37 -3.1 37 -2.1 0 0.0 32 -0.7 12 79
31 A 31 TRP W E E A C + 0 36 -104.3 106.5 -178.0 156.9 25.9 144.3 16 -3.3 0 0.0 29 -0.5 0 0.0 13 62
32 A 32 LEU L E E A C> T - 0 35 -128.4 130.6 -176.6 -31.4 66.0 174.5 35 -2.3 35 -2.1 30 -0.7 0 0.0 11 48
33 A 33 GLY G T T 3 TS- 0 0 58.3 -135.3 178.2 -31.1 124.6 113.1 0 0.0 94 -2.5 0 0.0 0 0.0 9 32
34 A 34 ASP D T e 3 TS+ 0 0 -103.7 29.0 179.4 91.9 122.0 89.3 0 0.0 90 -3.4 0 0.0 0 0.0 11 37
35 A 35 GLU E E E ACD< T - 32 89 -127.4 148.5 177.2 -160.3 54.8 163.4 32 -2.1 32 -2.3 0 0.0 0 0.0 11 48
36 A 36 VAL V E E ACD - 31 88 -125.7 123.8 179.8 -162.7 11.3 171.4 88 -2.2 88 -2.6 0 0.0 0 0.0 12 64
37 A 37 ILE I E E ACD + 30 87 -108.7 137.7 178.8 150.4 21.5 154.6 30 -2.1 30 -3.1 0 0.0 0 0.0 11 70
38 A 38 CYS C E E A D - 0 86 -156.4 167.0 179.7 -68.0 56.0 161.7 86 -1.6 86 -3.1 0 0.0 0 0.0 15 72
39 A 39 PRO P E E A D> T - 0 85 -61.1 132.1 -177.0 -134.8 43.1 117.5 0 0.0 42 -1.9 0 0.0 0 0.0 14 74
40 A 40 ARG R G e > TS+ 0 0 -67.1 -15.6 178.8 81.0 95.8 42.4 84 -2.3 43 -2.3 0 0.0 0 0.0 10 70
41 A 41 HIS H G G > T + 0 0 -64.8 -7.1 178.1 82.7 68.3 49.4 0 0.0 44 -1.4 0 0.0 0 0.0 8 65
42 A 42 VAL V G G < TS+ 0 0 -65.8 -15.6 -177.1 59.5 87.2 38.8 39 -1.9 0 0.0 0 0.0 0 0.0 11 68
43 A 43 ILE I G G < TS+ 0 0 -86.6 -12.0 -178.8 119.6 75.9 49.8 40 -2.3 0 0.0 0 0.0 0 0.0 10 60
44 A 44 ALA A g < T - 0 0 -59.1 122.8 179.7 -159.4 50.5 107.1 41 -1.4 0 0.0 0 0.0 0 0.0 11 46
45 A 45 SER S S S S+ 0 0 -73.9 -26.8 179.6 21.9 88.3 37.4 0 0.0 0 0.0 0 0.0 0 0.0 7 33
46 A 46 ASP D t > T - 0 0 -145.6 105.1 -177.4 -176.9 61.6 147.8 0 0.0 49 -0.9 0 0.0 0 0.0 6 27
47 A 47 THR T T T 3 TS+ 0 0 -85.0 8.9 179.9 69.5 78.8 72.1 0 0.0 0 0.0 0 0.0 0 0.0 10 35
48 A 48 THR T T T 3 TS+ 0 0 -100.7 -7.2 -178.0 49.8 100.6 58.1 0 0.0 0 0.0 0 0.0 0 0.0 5 21
49 A 49 ARG R S t < TS- 0 0 -128.4 160.4 178.6 -71.4 106.2 149.2 46 -0.9 0 0.0 0 0.0 0 0.0 6 21
50 A 50 VAL V - 0 0 -48.2 138.9 -178.5 -131.6 55.7 101.3 0 0.0 0 0.0 0 0.0 0 0.0 8 23
51 A 51 ILE I - 0 0 -101.1 137.9 177.8 -154.1 11.3 145.1 0 0.0 53 -0.8 0 0.0 0 0.0 8 28
52 A 52 ASN N h > T - 0 0 -107.6 100.8 -175.3 -171.6 11.5 152.8 0 0.0 56 -1.8 0 0.0 0 0.0 6 28
53 A 53 TYR Y H H > TS+ 0 0 -68.7 -29.6 177.1 58.1 80.4 35.1 51 -0.8 57 -2.2 0 0.0 0 0.0 7 33
54 A 54 GLU E H H > TS+ 0 0 -60.8 -47.8 178.9 45.3 110.2 17.8 0 0.0 58 -3.0 0 0.0 0 0.0 6 27
55 A 55 ASN N H H > TS+ 0 0 -63.1 -40.6 -178.3 50.0 111.6 31.2 0 0.0 59 -1.9 0 0.0 0 0.0 7 23
56 A 56 GLU E H H < TS+ 0 0 -69.2 -33.9 177.7 47.5 114.0 26.1 52 -1.8 0 0.0 0 0.0 0 0.0 11 36
57 A 57 MET M H H < > TS+ 0 0 -68.9 -48.5 178.8 53.0 108.7 18.4 53 -2.2 60 -1.8 0 0.0 0 0.0 9 35
58 A 58 SER S H H < 3 TS+ 0 0 -54.1 -39.3 -177.8 42.8 114.2 28.7 54 -3.0 0 0.0 0 0.0 0 0.0 6 21
59 A 59 SER S T h < 3 TS+ 0 0 -95.2 16.2 -179.2 133.0 85.4 74.0 55 -1.9 0 0.0 0 0.0 0 0.0 6 25
60 A 60 VAL V t < T - 0 0 -70.0 142.5 178.2 -161.8 39.3 109.7 57 -1.8 62 -0.6 0 0.0 0 0.0 7 33
61 A 61 ARG R g > T - 0 0 -124.7 110.2 -176.9 -149.6 11.7 160.8 0 0.0 64 -3.0 0 0.0 0 0.0 6 28
62 A 62 LEU L G G > TS+ 0 0 -49.0 -36.3 -179.7 64.7 94.0 35.3 60 -0.6 65 -1.8 0 0.0 0 0.0 9 35
63 A 63 HIS H G G 3 TS+ 0 0 -64.8 -13.8 -179.4 67.5 90.6 48.6 0 0.0 0 0.0 0 0.0 0 0.0 6 26
64 A 64 ASN N G G < TS+ 0 0 -80.7 -15.3 177.1 87.9 83.6 47.3 61 -3.0 0 0.0 0 0.0 0 0.0 8 33
65 A 65 PHE F g < T - 0 0 -77.8 151.7 176.0 -164.1 60.5 120.1 62 -1.8 0 0.0 0 0.0 0 0.0 11 52
66 A 66 SER S E E AB + 21 0 -137.1 121.3 -179.3 178.6 10.0 167.0 21 -1.5 21 -2.6 0 0.0 0 0.0 12 49
67 A 67 VAL V E E ABE + 20 74 -128.8 121.9 -177.4 158.3 14.0 170.7 74 -0.6 74 -2.5 0 0.0 0 0.0 12 58
68 A 68 SER S E E ABE - 19 73 -147.9 161.1 175.3 -153.9 35.2 166.2 19 -2.4 19 -2.6 0 0.0 0 0.0 12 49
69 A 69 LYS K E E A E> TS- 0 72 -130.7 127.6 -176.1 -25.6 83.4 178.6 72 -2.7 72 -2.2 0 0.0 0 0.0 10 45
70 A 70 ASN N T T 3 TS- 0 0 59.9 -138.4 -179.5 -40.0 127.4 118.0 0 0.0 0 0.0 0 0.0 0 0.0 4 29
71 A 71 ASN N T T 3 TS+ 0 0 -100.9 15.7 -177.0 109.3 118.2 70.7 0 0.0 73 -0.5 0 0.0 0 0.0 5 18
72 A 72 VAL V E E AE < T - 69 0 -95.3 120.4 -178.8 -152.0 56.5 140.9 69 -2.2 69 -2.7 0 0.0 0 0.0 6 28
73 A 73 PHE F E E AE - 68 0 -92.8 160.2 179.4 -148.5 1.4 118.4 71 -0.5 0 0.0 0 0.0 0 0.0 8 38
74 A 74 LEU L E E AE - 67 0 -121.9 152.9 -179.2 -112.1 22.9 154.7 67 -2.5 67 -0.6 0 0.0 0 0.0 10 43
75 A 75 GLY G e - 0 0 -89.2 134.6 178.7 -139.8 21.6 135.3 0 0.0 91 -2.2 0 0.0 77 -0.7 8 35
76 A 76 VAL V E E AF + 90 0 -93.3 116.1 -179.2 174.7 24.0 146.8 0 0.0 0 0.0 0 0.0 0 0.0 14 43
77 A 77 VAL V E E A* - 0 0 -94.0 -23.3 178.2 -10.2 62.4 42.8 89 -2.6 0 0.0 75 -0.7 0 0.0 9 29
78 A 78 SER S E E AF - 89 0 -166.9 164.7 -178.5 -150.2 55.2 169.2 89 -1.0 89 -1.7 0 0.0 0 0.0 8 35
79 A 79 ALA A E E AF + 88 0 -148.9 133.9 -179.6 163.6 17.2 172.8 0 0.0 0 0.0 0 0.0 0 0.0 10 47
80 A 80 ARG R E E AF - 87 0 -146.9 155.8 178.4 -113.9 34.4 168.3 87 -2.2 87 -3.2 0 0.0 0 0.0 8 38
81 A 81 TYR Y E E AF - 86 0 -90.3 142.5 174.3 -170.6 18.6 133.0 0 0.0 0 0.0 0 0.0 0 0.0 9 40
82 A 82 LYS K E E AF > TS- 85 0 -130.6 90.5 -176.5 -59.3 70.2 145.6 85 -3.1 85 -2.1 0 0.0 0 0.0 9 33
83 A 83 GLY G T T 3 TS- 0 0 67.9 -132.6 178.9 -21.1 119.2 122.7 0 0.0 0 0.0 0 0.0 0 0.0 8 39
84 A 84 VAL V T e 3 TS+ 0 0 -87.8 2.6 177.0 94.4 122.3 66.8 178 -2.6 40 -2.3 0 0.0 0 0.0 12 49
85 A 85 ASN N E E ADF< T - 39 82 -94.9 145.7 174.6 -140.3 68.2 139.2 82 -2.1 82 -3.1 0 0.0 87 -0.5 13 57
86 A 86 LEU L E E ADF - 38 81 -98.3 127.2 176.5 -160.1 16.4 152.4 38 -3.1 38 -1.6 0 0.0 88 -0.5 13 64
87 A 87 VAL V E E ADF - 37 80 -111.8 128.1 178.2 -171.9 7.0 162.4 80 -3.2 80 -2.2 85 -0.5 0 0.0 12 53
88 A 88 LEU L E E ADF - 36 79 -118.6 122.6 175.2 -144.5 16.3 167.2 36 -2.6 36 -2.2 86 -0.5 0 0.0 12 56
89 A 89 LYS K E E ADF - 35 78 -78.6 130.9 178.6 -160.4 25.4 136.5 78 -1.7 77 -2.6 0 0.0 78 -1.0 11 39
90 A 90 VAL V E E A F - 0 76 -117.1 158.2 -177.7 -112.2 28.6 148.1 34 -3.4 0 0.0 0 0.0 0 0.0 13 43
91 A 91 ASN N S e S+ 0 0 -66.9 13.3 -177.7 57.2 94.6 78.8 75 -2.2 0 0.0 0 0.0 0 0.0 9 29
92 A 92 GLN Q S S S- 0 0 -157.7 141.4 -179.6 -126.9 73.9 166.9 0 0.0 0 0.0 0 0.0 0 0.0 8 30
93 A 93 VAL V - 0 0 -82.7 131.6 177.8 -118.0 33.9 129.1 0 0.0 0 0.0 0 0.0 0 0.0 9 32
94 A 94 ASN N t > T - 0 0 -68.0 115.6 -179.4 -158.0 22.0 126.8 33 -2.5 97 -1.4 0 0.0 0 0.0 10 38
95 A 95 PRO P T T 3 TS+ 0 0 -71.7 -9.1 -177.7 56.3 89.9 49.2 0 0.0 0 0.0 0 0.0 0 0.0 5 27
96 A 96 ASN N T T 3 TS+ 0 0 -108.2 23.3 -179.9 141.9 71.1 86.4 0 0.0 0 0.0 0 0.0 0 0.0 6 27
97 A 97 THR T t < T - 0 0 -65.5 114.4 -179.5 -143.1 43.5 121.4 94 -1.4 0 0.0 0 0.0 0 0.0 10 34
98 A 98 PRO P - 0 0 -78.2 165.8 173.6 -92.9 26.2 110.9 0 0.0 0 0.0 0 0.0 0 0.0 7 32
99 A 99 GLU E + 0 0 -67.5 135.4 -175.7 157.2 68.1 123.4 0 0.0 0 0.0 0 0.0 0 0.0 6 31
100 A 100 HIS H - 0 0 -158.8 172.5 179.3 -155.2 34.4 165.4 0 0.0 0 0.0 0 0.0 0 0.0 8 36
101 A 101 LYS K E E Bg - 157 0 -144.1 173.1 179.8 -124.0 20.5 145.5 156 -1.7 158 -2.6 0 0.0 0 0.0 8 31
102 A 102 PHE F E E Bg + 158 0 -129.5 139.8 177.2 156.7 32.5 170.6 0 0.0 0 0.0 0 0.0 0 0.0 8 35
103 A 103 LYS K e - 0 0 -156.4 158.6 175.7 -109.1 36.9 168.6 158 -1.5 0 0.0 0 0.0 0 0.0 9 35
104 A 104 SER S - 0 0 -92.6 140.5 177.9 -132.9 26.3 142.0 0 0.0 0 0.0 0 0.0 0 0.0 7 44
105 A 105 ILE I - 0 0 -87.3 142.1 177.3 -144.7 21.8 134.4 0 0.0 0 0.0 0 0.0 0 0.0 9 49
106 A 106 LYS K t > T - 0 0 -103.3 164.2 177.3 -73.6 34.7 129.1 0 0.0 109 -2.3 0 0.0 0 0.0 7 45
107 A 107 ALA A T T 3 TS+ 0 0 -51.2 140.0 177.8 21.5 120.6 100.6 0 0.0 0 0.0 0 0.0 0 0.0 11 49
108 A 108 GLY G T T 3 TS+ 0 0 81.5 -5.3 179.2 125.0 96.1 65.0 129 -3.3 0 0.0 0 0.0 0 0.0 13 47
109 A 109 GLU E e < T - 0 0 -92.7 145.0 -178.3 -136.2 52.6 131.7 106 -2.3 129 -2.7 0 0.0 0 0.0 9 51
110 A 110 SER S E E BH + 128 0 -96.2 152.9 173.3 161.2 28.1 128.9 0 0.0 0 0.0 0 0.0 0 0.0 12 57
111 A 111 PHE F E E BH - 127 0 -156.9 172.3 179.9 -99.0 33.9 164.1 127 -1.9 127 -2.8 0 0.0 0 0.0 13 61
112 A 112 ASN N E E BHI - 126 149 -101.1 140.8 174.0 -155.1 21.3 146.7 149 -2.6 149 -2.2 0 0.0 0 0.0 13 62
113 A 113 ILE I E E BHI - 125 148 -111.7 135.9 173.3 -158.7 5.6 155.5 125 -3.0 125 -1.8 0 0.0 115 -0.8 13 64
114 A 114 LEU L E E BHI - 124 147 -108.8 99.2 -179.3 -149.5 24.1 157.6 147 -2.8 147 -1.1 0 0.0 0 0.0 15 60
115 A 115 ALA A E E BH - 123 0 -77.3 124.4 -175.3 -168.3 17.8 129.8 123 -2.2 122 -2.8 113 -0.8 123 -2.0 13 58
116 A 116 CYS C E E BH - 121 0 -121.3 144.9 178.5 -149.2 18.8 152.2 0 0.0 118 -0.6 0 0.0 0 0.0 17 52
117 A 117 TYR Y E E BH > TS- 120 0 -117.7 115.6 -179.2 -39.4 74.8 163.0 120 -2.9 120 -2.7 0 0.0 0 0.0 11 42
118 A 118 GLU E T T 3 TS- 0 0 33.7 60.2 177.2 -31.5 128.8 35.4 142 -1.9 0 0.0 116 -0.6 0 0.0 12 48
119 A 119 GLY G T T 3 TS+ 0 0 93.5 -13.2 -177.4 104.1 118.0 79.9 0 0.0 0 0.0 0 0.0 0 0.0 14 51
120 A 120 CYS C E E BH < TS- 117 0 -115.3 123.5 178.8 -124.2 70.7 153.7 117 -2.7 117 -2.9 0 0.0 0 0.0 10 44
121 A 121 PRO P E E BH + 116 0 -54.7 125.3 -178.7 164.5 39.3 111.6 0 0.0 0 0.0 0 0.0 0 0.0 10 46
122 A 122 GLY G E E B* - 0 0 -119.0 -36.4 -179.6 -3.2 51.6 43.4 115 -2.8 0 0.0 0 0.0 0 0.0 8 39
123 A 123 SER S E E BH - 115 0 -157.1 160.3 179.3 -144.9 48.7 171.8 115 -2.0 115 -2.2 0 0.0 0 0.0 7 39
124 A 124 VAL V E E BH + 114 0 -132.6 135.0 -178.3 153.6 28.5 176.9 0 0.0 0 0.0 0 0.0 0 0.0 10 42
125 A 125 TYR Y E E BH - 113 0 -157.9 156.2 -175.5 -109.8 37.8 168.8 113 -1.8 113 -3.0 0 0.0 0 0.0 11 42
126 A 126 GLY G E E BH + 112 0 -96.2 149.4 -179.8 177.2 32.6 132.0 0 0.0 0 0.0 0 0.0 0 0.0 12 48
127 A 127 VAL V E E BH - 111 0 -137.2 178.9 -179.6 -137.4 19.0 142.8 111 -2.8 111 -1.9 0 0.0 0 0.0 12 54
128 A 128 ASN N E E BH - 110 0 -147.8 131.7 -175.2 -110.4 25.9 169.4 0 0.0 0 0.0 0 0.0 0 0.0 13 61
129 A 129 MET M e - 0 0 -70.2 124.7 177.5 -142.3 29.8 116.8 109 -2.7 108 -3.3 0 0.0 0 0.0 14 59
130 A 130 ARG R t > T - 0 0 -79.3 159.9 -175.8 -103.6 27.7 115.9 134 -2.9 133 -2.4 0 0.0 0 0.0 12 53
131 A 131 SER S T T 3 TS+ 0 0 -57.1 -33.2 -177.7 54.4 119.9 35.3 197 -0.5 0 0.0 0 0.0 0 0.0 11 48
132 A 132 GLN Q T T 3 TS- 0 0 -84.2 4.4 178.4 -101.9 123.9 65.5 0 0.0 0 0.0 0 0.0 0 0.0 11 41
133 A 133 GLY G S t < TS+ 0 0 88.3 14.1 -180.0 114.1 85.2 52.0 130 -2.4 0 0.0 0 0.0 0 0.0 12 52
134 A 134 THR T - 0 0 -108.3 174.3 176.3 -145.2 50.2 122.3 0 0.0 130 -2.9 0 0.0 0 0.0 14 60
135 A 135 ILE I B B A - 171 0 -135.3 160.7 178.5 -125.8 18.0 162.0 171 -1.7 171 -2.7 0 0.0 137 -0.9 11 66
136 A 136 LYS K + 0 0 -108.3 98.1 -179.5 143.2 56.0 154.6 0 0.0 0 0.0 0 0.0 0 0.0 9 51
137 A 137 GLY G - 0 0 -114.4 -151.9 -179.7 -107.7 55.0 100.5 135 -0.9 0 0.0 0 0.0 0 0.0 7 49
138 A 138 SER S + 0 0 -150.8 102.2 -178.3 154.8 49.2 148.5 0 0.0 0 0.0 0 0.0 0 0.0 4 42
139 A 139 PHE F - 0 0 -133.2 137.1 175.7 -173.3 17.3 169.6 0 0.0 0 0.0 0 0.0 0 0.0 8 45
140 A 140 ILE I t > T - 0 0 -125.6 164.0 -179.5 -62.4 49.3 151.3 0 0.0 143 -2.1 0 0.0 0 0.0 5 38
141 A 141 ALA A T T 3 TS+ 0 0 -46.3 130.2 -178.4 36.0 126.0 99.2 0 0.0 0 0.0 0 0.0 0 0.0 5 38
142 A 142 GLY G T T 3 TS+ 0 0 106.3 -12.1 179.6 86.5 94.2 73.9 0 0.0 118 -1.9 0 0.0 0 0.0 10 43
143 A 143 THR T t X T + 0 0 -100.6 1.6 176.4 125.3 53.8 70.0 140 -2.1 146 -1.9 0 0.0 0 0.0 14 48
144 A 144 CYS C T T 3 TS+ 0 0 -56.3 146.1 -176.4 38.0 70.1 109.5 0 0.0 28 -2.5 0 0.0 0 0.0 14 65
145 A 145 GLY G T T 3 TS+ 0 0 88.5 -11.8 177.0 148.7 83.2 72.2 162 -3.0 0 0.0 0 0.0 0 0.0 14 72
146 A 146 SER S e < T - 0 0 -56.4 151.9 -172.0 -117.2 44.6 104.0 143 -1.9 162 -2.6 0 0.0 0 0.0 13 70
147 A 147 VAL V E E BIJ - 114 161 -110.0 134.8 179.0 -157.8 19.4 144.1 114 -1.1 114 -2.8 0 0.0 0 0.0 14 83
148 A 148 GLY G E E BIJ + 113 160 -105.3 135.9 -177.3 159.8 26.9 149.5 160 -3.3 159 -2.8 0 0.0 160 -1.7 13 77
149 A 149 TYR Y E E BIJ - 112 158 -151.0 165.4 175.7 -151.9 24.3 163.4 112 -2.2 112 -2.6 0 0.0 0 0.0 12 63
150 A 150 VAL V E E B J - 0 157 -142.8 147.8 177.5 -146.4 8.5 170.6 157 -2.5 157 -3.1 0 0.0 0 0.0 11 50
151 A 151 LEU L E E B J + 0 156 -113.4 125.3 178.3 173.4 21.4 166.7 0 0.0 0 0.0 0 0.0 0 0.0 9 41
152 A 152 GLU E E E B J> TS- 0 155 -136.0 122.1 179.8 -22.0 70.0 169.4 155 -2.6 155 -2.9 0 0.0 0 0.0 7 30
153 A 153 ASN N T T 3 TS- 0 0 49.5 43.6 -179.9 -49.6 127.7 30.8 0 0.0 0 0.0 0 0.0 0 0.0 4 15
154 A 154 GLY G T T 3 TS+ 0 0 79.3 -3.4 178.8 121.1 113.2 62.2 0 0.0 156 -0.5 0 0.0 0 0.0 5 20
155 A 155 ILE I E E B J< T - 0 152 -101.2 127.4 178.5 -145.6 53.9 150.8 152 -2.9 152 -2.6 0 0.0 0 0.0 9 25
156 A 156 LEU L E E B J - 0 151 -89.9 128.6 176.1 -171.0 15.9 140.1 154 -0.5 101 -1.7 0 0.0 0 0.0 11 39
157 A 157 TYR Y E E BgJ - 101 150 -121.7 132.6 173.6 -146.5 16.9 169.2 150 -3.1 150 -2.5 0 0.0 159 -0.5 12 44
158 A 158 PHE F E E BgJ + 102 149 -92.2 129.0 -174.0 161.4 30.7 146.7 101 -2.6 103 -1.5 0 0.0 0 0.0 14 59
159 A 159 VAL V E E B * + 0 0 -128.0 -19.4 -178.2 28.5 48.4 51.1 148 -2.8 0 0.0 157 -0.5 0 0.0 14 59
160 A 160 TYR Y E E B J - 0 148 -150.7 147.7 173.5 -167.6 43.5 176.6 148 -1.7 148 -3.3 0 0.0 0 0.0 12 72
161 A 161 MET M E E BKJ - 174 147 -132.3 130.5 -178.8 -120.3 33.3 171.8 174 -1.9 174 -2.1 0 0.0 0 0.0 15 80
162 A 162 HIS H E E BK + 173 0 -75.8 132.0 179.4 158.7 39.1 118.6 146 -2.6 145 -3.0 0 0.0 0 0.0 15 80
163 A 163 HIS H E E B* - 0 0 -117.3 -50.3 -173.5 -20.6 52.3 43.5 172 -2.4 0 0.0 0 0.0 0 0.0 13 71
164 A 164 LEU L E E BK - 172 0 -160.5 173.2 178.4 -113.3 44.8 166.2 172 -2.4 172 -2.6 0 0.0 0 0.0 9 62
165 A 165 GLU E E E BK - 171 0 -118.0 134.4 178.8 -137.8 29.0 160.7 0 0.0 0 0.0 0 0.0 0 0.0 9 47
166 A 166 LEU L e > T - 0 0 -84.5 161.2 179.2 -99.2 34.1 117.1 170 -2.4 169 -2.8 0 0.0 0 0.0 12 40
167 A 167 GLY G T T 3 TS+ 0 0 -49.4 -35.8 179.9 58.6 123.3 33.4 0 0.0 0 0.0 0 0.0 0 0.0 8 26
168 A 168 ASN N T T 3 TS- 0 0 -80.9 15.0 179.7 -107.5 120.1 73.7 0 0.0 0 0.0 0 0.0 0 0.0 7 27
169 A 169 GLY G S t < TS+ 0 0 81.7 -10.5 178.4 136.6 74.7 68.8 166 -2.8 0 0.0 0 0.0 0 0.0 7 32
170 A 170 SER S e - 0 0 -71.9 150.3 -176.9 -119.2 51.6 112.4 0 0.0 166 -2.4 0 0.0 0 0.0 12 43
171 A 171 HIS H E E BKA - 165 135 -106.2 138.6 -175.2 -163.7 23.1 144.9 135 -2.7 135 -1.7 0 0.0 0 0.0 14 60
172 A 172 VAL V E E BK + 164 0 -121.6 131.5 179.2 146.4 18.6 157.3 164 -2.6 164 -2.4 0 0.0 163 -2.4 15 68
173 A 173 GLY G E E BK - 162 0 -149.8 -178.9 -178.9 -116.7 32.1 151.5 0 0.0 181 -2.4 0 0.0 0 0.0 12 75
174 A 174 SER S E E BKB - 161 180 -120.7 170.6 173.9 -117.8 19.8 136.2 161 -2.1 161 -1.9 0 0.0 0 0.0 15 61
175 A 175 ASN N t > T - 0 0 -93.2 -176.4 -177.7 -95.1 44.4 110.5 179 -2.2 178 -1.3 0 0.0 0 0.0 14 57
176 A 176 PHE F T T 3 TS+ 0 0 -86.1 7.2 177.0 70.4 121.0 64.3 0 0.0 0 0.0 0 0.0 0 0.0 12 49
177 A 177 GLU E T T 3 TS- 0 0 -94.1 -4.0 -179.6 -111.7 117.8 64.7 0 0.0 0 0.0 0 0.0 0 0.0 7 37
178 A 178 GLY G S t < TS+ 0 0 84.0 9.3 178.7 135.6 74.5 54.7 175 -1.3 84 -2.6 0 0.0 0 0.0 10 44
179 A 179 GLU E - 0 0 -91.6 130.4 177.6 -127.3 55.8 141.7 0 0.0 175 -2.2 0 0.0 0 0.0 10 41
180 A 180 MET M B B B > T - 174 0 -75.9 127.5 177.3 -115.3 27.7 129.6 0 0.0 183 -2.3 0 0.0 0 0.0 12 53
181 A 181 TYR Y G G > TS+ 0 0 -59.0 133.3 -179.7 15.0 103.8 114.8 173 -2.4 184 -0.8 0 0.0 0 0.0 11 52
182 A 182 GLY G G G 3 TS- 0 0 80.5 -4.7 177.8 -96.2 116.4 66.0 0 0.0 0 0.0 0 0.0 0 0.0 7 46
183 A 183 GLY G G G < T + 0 0 68.3 19.3 178.5 162.6 69.2 44.7 180 -2.3 0 0.0 0 0.0 0 0.0 7 43
184 A 184 TYR Y g < T - 0 0 -68.5 149.2 178.3 -111.2 40.8 113.7 181 -0.8 0 0.0 0 0.0 0 0.0 8 45
185 A 185 GLU E - 0 0 -81.7 143.5 177.9 -126.8 14.3 125.7 0 0.0 187 -2.0 0 0.0 0 0.0 6 44
186 A 186 ASP D S S S+ 0 0 -85.2 65.5 -178.3 110.8 75.6 112.3 0 0.0 0 0.0 0 0.0 0 0.0 8 54
187 A 187 GLN Q S S S- 0 0 -134.3 153.7 179.1 -110.1 84.1 160.3 185 -2.0 189 -1.5 0 0.0 0 0.0 7 42
188 A 188 PRO P S S S+ 0 0 -78.8 43.7 -179.8 137.1 74.9 97.9 0 0.0 0 0.0 0 0.0 0 0.0 8 37
189 A 189 SER S - 0 0 -87.8 168.9 -179.0 -115.3 67.8 113.1 187 -1.5 0 0.0 0 0.0 0 0.0 6 29
190 A 190 MET M + 0 0 -95.7 39.8 179.3 162.2 52.2 101.6 0 0.0 0 0.0 0 0.0 0 0.0 6 24
191 A 191 GLN Q - 0 0 -63.2 145.2 -179.4 -126.6 33.8 105.0 0 0.0 0 0.0 0 0.0 0 0.0 7 30
192 A 192 LEU L - 0 0 -92.8 158.7 -179.0 -131.7 5.4 128.6 0 0.0 0 0.0 0 0.0 0 0.0 7 29
193 A 193 GLU E - 0 0 -76.2 -40.9 -176.9 -135.4 39.9 28.3 0 0.0 0 0.0 0 0.0 0 0.0 10 34
194 A 194 GLY G - 0 0 103.3 167.0 -178.4 -34.6 44.8 108.5 0 0.0 0 0.0 0 0.0 0 0.0 5 29
195 A 195 THR T - 0 0 -68.2 128.8 -178.8 -132.0 61.7 114.6 0 0.0 0 0.0 0 0.0 0 0.0 6 29
196 A 196 ASN N - 0 0 -84.4 126.9 178.9 -153.8 14.7 130.9 0 0.0 198 -0.6 0 0.0 0 0.0 9 38
197 A 197 VAL V - 0 0 -106.3 114.9 -179.8 -132.9 14.8 152.5 0 0.0 131 -0.5 0 0.0 0 0.0 10 42
198 A 198 MET M B B c - 238 0 -65.4 134.8 -179.9 -120.8 18.6 111.1 237 -2.1 239 -1.9 196 -0.6 200 -0.6 11 52
199 A 199 SER S h > T - 0 0 -81.0 117.2 -176.0 -163.4 21.7 131.5 0 0.0 203 -1.8 0 0.0 0 0.0 12 55
200 A 200 SER S H H > TS+ 0 0 -69.9 -46.9 178.5 53.0 86.8 27.5 198 -0.6 204 -2.6 0 0.0 0 0.0 11 65
201 A 201 ASP D H H > TS+ 0 0 -57.5 -40.6 179.5 48.5 112.5 21.2 0 0.0 205 -2.1 0 0.0 0 0.0 9 60
202 A 202 ASN N H H > TS+ 0 0 -66.5 -38.3 178.4 51.1 110.0 29.4 0 0.0 206 -1.9 0 0.0 0 0.0 14 58
203 A 203 VAL V H H X TS+ 0 0 -66.9 -36.3 178.6 49.4 109.9 26.4 199 -1.8 207 -2.0 0 0.0 0 0.0 15 70
204 A 204 VAL V H H X TS+ 0 0 -67.6 -39.7 -179.9 52.8 109.1 24.5 200 -2.6 208 -2.7 0 0.0 0 0.0 13 74
205 A 205 ALA A H H X TS+ 0 0 -57.8 -44.0 -177.0 49.2 109.6 21.7 201 -2.1 209 -2.3 0 0.0 0 0.0 13 66
206 A 206 PHE F H H X TS+ 0 0 -62.5 -44.3 179.3 49.0 110.5 28.4 202 -1.9 210 -1.7 0 0.0 0 0.0 12 62
207 A 207 LEU L H H X TS+ 0 0 -66.0 -36.6 178.0 53.4 109.5 27.8 203 -2.0 211 -2.2 0 0.0 0 0.0 10 70
208 A 208 TYR Y H H X TS+ 0 0 -64.6 -40.9 -180.0 50.8 107.5 21.3 204 -2.7 212 -2.8 0 0.0 0 0.0 12 62
209 A 209 ALA A H H X TS+ 0 0 -63.5 -34.5 -178.8 54.4 106.9 30.3 205 -2.3 213 -2.7 0 0.0 0 0.0 11 60
210 A 210 ALA A H H < >TS+ 0 0 -66.2 -41.1 177.0 48.2 109.5 24.3 206 -1.7 215 -2.9 0 0.0 0 0.0 12 56
211 A 211 LEU L H H < >5TS+ 0 0 -61.2 -55.7 -178.8 46.3 112.9 13.3 207 -2.2 214 -2.3 0 0.0 0 0.0 10 46
212 A 212 ILE I H H < 35TS+ 0 0 -55.5 -40.4 179.8 53.2 111.7 23.9 208 -2.8 0 0.0 0 0.0 0 0.0 9 42
213 A 213 ASN N T h < 35TS- 0 0 -74.3 -4.7 176.8 -97.9 127.7 60.4 209 -2.7 0 0.0 0 0.0 0 0.0 10 35
214 A 214 GLY G T T <5TS+ 0 0 108.5 1.6 -179.1 124.7 80.1 59.7 211 -2.3 0 0.0 0 0.0 0 0.0 6 26
215 A 215 GLU E t T + 0 0 -130.1 -16.4 -176.7 108.7 36.1 59.5 0 0.0 219 -3.4 0 0.0 0 0.0 7 34
217 A 217 TRP W T T 3 TS+ 0 0 -38.6 -29.9 -177.5 53.7 81.5 48.3 0 0.0 0 0.0 0 0.0 0 0.0 5 36
218 A 218 PHE F T T 3 TS+ 0 0 -88.5 -3.9 -178.3 95.4 88.1 63.1 0 0.0 0 0.0 0 0.0 0 0.0 7 47
219 A 219 VAL V t < T - 0 0 -93.8 129.3 179.8 -177.1 56.4 142.2 216 -3.4 0 0.0 0 0.0 0 0.0 8 42
220 A 220 THR T - 0 0 -126.3 172.2 179.6 -89.6 44.8 139.3 0 0.0 222 -2.7 0 0.0 0 0.0 7 28
221 A 221 ASN N S S S+ 0 0 -66.2 41.0 -175.9 92.2 96.3 97.1 0 0.0 0 0.0 0 0.0 0 0.0 4 21
222 A 222 THR T - 0 0 -144.3 162.9 179.6 -163.0 53.2 159.5 220 -2.7 0 0.0 0 0.0 0 0.0 6 26
223 A 223 SER S - 0 0 -143.5 142.5 178.3 -160.2 5.8 173.9 0 0.0 0 0.0 0 0.0 0 0.0 9 29
224 A 224 MET M - 0 0 -127.5 120.6 -176.2 -121.8 30.3 172.4 259 -2.0 0 0.0 0 0.0 0 0.0 10 33
225 A 225 SER S h > T - 0 0 -64.3 153.0 -177.9 -112.7 20.5 101.8 0 0.0 229 -2.4 0 0.0 0 0.0 8 30
226 A 226 LEU L H H > TS+ 0 0 -48.3 -56.0 -178.8 50.9 115.2 23.1 0 0.0 230 -2.4 0 0.0 0 0.0 10 35
227 A 227 GLU E H H > TS+ 0 0 -53.8 -47.3 179.2 45.2 111.5 30.1 0 0.0 231 -0.6 0 0.0 0 0.0 6 26
228 A 228 SER S H H > > TS+ 0 0 -66.8 -41.4 178.1 52.2 111.8 28.0 0 0.0 232 -1.5 0 0.0 231 -0.6 8 32
229 A 229 TYR Y H H X > TS+ 0 0 -57.6 -51.3 -178.8 56.5 104.0 13.7 225 -2.4 233 -3.1 0 0.0 232 -0.8 12 40
230 A 230 ASN N H H X 3 TS+ 0 0 -53.2 -20.7 -179.9 54.0 106.5 40.9 226 -2.4 234 -1.2 0 0.0 0 0.0 11 37
231 A 231 THR T H H < < TS+ 0 0 -81.5 -41.6 177.1 43.2 109.1 31.2 228 -0.6 0 0.0 227 -0.6 0 0.0 8 24
232 A 232 TRP W H H X X TS+ 0 0 -67.8 -40.8 -179.4 64.6 108.5 28.0 228 -1.5 235 -1.4 229 -0.8 236 -0.5 9 32
233 A 233 ALA A H H < >>TS+ 0 0 -48.0 -52.9 -179.2 63.8 90.5 24.7 229 -3.1 236 -1.9 0 0.0 238 -1.0 11 40
234 A 234 LYS K T h < 35TS+ 0 0 -50.9 -27.9 178.9 34.3 110.5 45.2 230 -1.2 0 0.0 0 0.0 0 0.0 10 27
235 A 235 THR T T T 4 <5TS+ 0 0 -112.9 11.5 177.6 60.3 113.1 71.2 232 -1.4 0 0.0 0 0.0 0 0.0 7 21
236 A 236 ASN N T T < <5TS- 0 0 -130.9 48.0 176.8 -99.9 111.7 102.8 233 -1.9 0 0.0 232 -0.5 0 0.0 6 31
237 A 237 SER S T T 5TS+ 0 0 37.0 61.2 179.6 120.1 83.6 31.9 0 0.0 198 -2.1 0 0.0 0 0.0 10 35
238 A 238 PHE F B B c TS+ 0 0 -103.2 3.5 179.9 108.6 84.5 75.3 0 0.0 247 -1.1 0 0.0 0 0.0 8 42
245 A 245 ASP D G G > TS+ 0 0 -49.4 -41.9 -178.3 58.2 70.3 32.8 0 0.0 248 -1.0 0 0.0 0 0.0 5 26
246 A 246 ALA A G G 3 TS+ 0 0 -63.5 -30.2 -175.9 53.4 102.1 37.1 0 0.0 0 0.0 0 0.0 0 0.0 6 40
247 A 247 PHE F G h > X T + 0 0 -91.2 1.3 -179.0 117.1 66.8 66.8 244 -1.1 251 -3.3 0 0.0 250 -0.6 11 48
248 A 248 SER S H H > < TS+ 0 0 -34.8 -61.2 -178.4 38.8 84.3 31.2 245 -1.0 252 -2.6 0 0.0 0 0.0 8 33
249 A 249 MET M H H > 3 TS+ 0 0 -66.3 -32.0 -179.3 47.6 118.5 32.6 0 0.0 253 -1.9 0 0.0 0 0.0 7 33
250 A 250 LEU L H H > < TS+ 0 0 -70.5 -51.4 179.3 44.4 115.6 12.4 247 -0.6 254 -2.0 0 0.0 0 0.0 9 47
251 A 251 ALA A H H X TS+ 0 0 -57.4 -38.4 179.4 54.4 113.8 29.2 247 -3.3 255 -1.7 0 0.0 0 0.0 12 40
252 A 252 ALA A H H < TS+ 0 0 -64.9 -42.7 -176.7 38.3 112.7 28.4 248 -2.6 0 0.0 0 0.0 0 0.0 10 26
253 A 253 LYS K H H < TS+ 0 0 -85.2 -20.1 -177.5 42.0 121.6 43.6 249 -1.9 0 0.0 0 0.0 0 0.0 6 30
254 A 254 THR T H H < TS- 0 0 -95.2 -27.3 -178.9 -133.3 98.7 43.0 250 -2.0 0 0.0 0 0.0 0 0.0 9 35
255 A 255 GLY G h < T + 0 0 87.6 -1.4 178.3 119.0 69.7 63.6 251 -1.7 257 -0.6 0 0.0 0 0.0 6 31
256 A 256 GLN Q - 0 0 -99.2 117.4 179.7 -145.1 57.5 152.2 0 0.0 0 0.0 0 0.0 0 0.0 8 43
257 A 257 SER S h > > T - 0 0 -79.1 153.2 -176.8 -105.3 28.8 122.4 255 -0.6 260 -1.8 0 0.0 261 -0.9 8 39
258 A 258 VAL V H H > 3 TS+ 0 0 -45.8 -44.9 -177.8 65.0 113.4 39.8 0 0.0 262 -2.1 0 0.0 0 0.0 10 53
259 A 259 GLU E H H > 3 TS+ 0 0 -59.5 -24.5 176.4 54.7 99.4 36.7 0 0.0 224 -2.0 0 0.0 263 -1.0 10 48
260 A 260 LYS K H H > X TS+ 0 0 -72.4 -44.6 179.8 49.5 107.3 18.1 257 -1.8 264 -1.7 0 0.0 263 -0.7 13 47
261 A 261 LEU L H H X 3 TS+ 0 0 -60.9 -33.8 -179.8 59.3 104.7 29.6 257 -0.9 265 -1.9 0 0.0 0 0.0 14 61
262 A 262 LEU L H H X 3 TS+ 0 0 -61.0 -33.6 177.9 53.1 102.9 33.1 258 -2.1 266 -1.6 0 0.0 0 0.0 14 57
263 A 263 ASP D H H X < TS+ 0 0 -66.1 -43.7 177.7 54.1 105.6 25.6 259 -1.0 267 -1.8 260 -0.7 0 0.0 12 45
264 A 264 SER S H H X TS+ 0 0 -57.6 -45.4 -179.5 54.2 104.9 22.6 260 -1.7 268 -1.7 0 0.0 0 0.0 11 53
265 A 265 ILE I H H X > TS+ 0 0 -55.5 -51.3 -178.7 50.9 105.8 19.9 261 -1.9 269 -1.9 0 0.0 268 -0.6 10 64
266 A 266 VAL V H H < 3 TS+ 0 0 -54.8 -41.3 -178.8 44.8 114.7 23.3 262 -1.6 0 0.0 0 0.0 0 0.0 9 47
267 A 267 ARG R H H < 3 TS+ 0 0 -81.6 -14.2 177.0 51.3 111.2 49.7 263 -1.8 0 0.0 0 0.0 0 0.0 7 38
268 A 268 LEU L H H < X TS+ 0 0 -90.4 -28.4 178.5 82.4 85.9 37.5 264 -1.7 271 -3.5 265 -0.6 0 0.0 11 43
269 A 269 ASN N T h < 3 TS+ 0 0 -42.5 -35.0 -179.2 58.3 88.5 36.0 265 -1.9 0 0.0 0 0.0 0 0.0 9 41
270 A 270 LYS K T T 3 TS- 0 0 -78.4 -4.4 179.8 -67.9 127.3 57.0 0 0.0 0 0.0 0 0.0 0 0.0 5 24
271 A 271 GLY G t < T - 0 0 131.0 152.9 -180.0 -108.5 31.4 114.1 268 -3.5 0 0.0 0 0.0 0 0.0 7 21
272 A 272 PHE F t > T - 0 0 -90.6 0.2 179.8 -121.8 50.8 65.5 0 0.0 275 -1.5 0 0.0 0 0.0 10 27
273 A 273 GLY G T T 3 TS- 0 0 61.9 32.6 177.7 -49.8 74.9 28.7 0 0.0 0 0.0 0 0.0 0 0.0 4 19
274 A 274 GLY G T T 3 TS+ 0 0 88.5 -2.6 -178.9 117.0 114.0 65.9 0 0.0 0 0.0 0 0.0 0 0.0 6 18
275 A 275 ARG R t < T - 0 0 -89.2 -179.7 179.8 -139.0 51.8 104.3 272 -1.5 0 0.0 0 0.0 0 0.0 6 25
276 A 276 THR T - 0 0 -137.8 164.4 177.8 -149.4 7.2 157.4 0 0.0 0 0.0 0 0.0 0 0.0 9 30
277 A 277 ILE I B B D > TS- 280 0 -135.7 119.6 -174.4 -15.6 91.4 166.6 280 -2.1 280 -2.2 0 0.0 0 0.0 11 42
278 A 278 LEU L T T 3 TS- 0 0 46.3 44.9 178.5 -56.1 131.7 23.4 0 0.0 0 0.0 0 0.0 0 0.0 7 37
279 A 279 SER S T T 3 TS+ 0 0 76.8 -12.8 180.0 120.9 111.6 75.4 0 0.0 0 0.0 0 0.0 0 0.0 5 27
280 A 280 TYR Y B B D < T - 277 0 -88.5 147.1 178.8 -148.3 56.6 129.7 277 -2.2 277 -2.1 0 0.0 0 0.0 8 30
281 A 281 GLY G S S S+ 0 0 -89.0 -1.1 176.8 27.9 81.7 70.0 0 0.0 0 0.0 0 0.0 0 0.0 9 26
282 A 282 SER S S S S- 0 0 -149.1 175.4 -177.9 -64.5 101.1 159.8 0 0.0 0 0.0 0 0.0 0 0.0 10 33
283 A 283 LEU L - 0 0 -69.0 148.1 -178.5 -147.0 44.8 108.3 0 0.0 0 0.0 0 0.0 0 0.0 9 52
284 A 284 CYS C + 0 0 -118.9 126.3 179.3 173.2 23.9 161.4 0 0.0 0 0.0 0 0.0 0 0.0 9 58
285 A 285 ASP D + 0 0 -116.0 25.0 -178.4 104.9 52.6 84.6 0 0.0 0 0.0 0 0.0 0 0.0 12 57
286 A 286 GLU E + 0 0 -82.5 -7.7 179.9 69.5 67.7 54.4 0 0.0 0 0.0 0 0.0 0 0.0 10 58
287 A 287 PHE F S S S- 0 0 -117.5 135.5 178.3 -143.8 70.2 160.5 0 0.0 0 0.0 0 0.0 0 0.0 14 53
288 A 288 THR T h > T - 0 0 -86.1 162.9 179.6 -107.2 31.0 113.8 0 0.0 292 -2.2 0 0.0 0 0.0 13 54
289 A 289 PRO P H H > TS+ 0 0 -57.3 -41.6 178.7 49.0 122.1 24.1 0 0.0 293 -3.1 0 0.0 0 0.0 12 50
290 A 290 THR T H H > TS+ 0 0 -63.8 -41.7 179.0 52.3 108.9 27.6 0 0.0 294 -2.3 0 0.0 0 0.0 6 49
291 A 291 GLU E H H > TS+ 0 0 -60.7 -43.2 -179.6 42.7 114.5 27.4 0 0.0 295 -1.2 0 0.0 0 0.0 8 51
292 A 292 VAL V H H X TS+ 0 0 -70.9 -45.6 178.9 53.3 111.6 21.8 288 -2.2 296 -3.0 0 0.0 0 0.0 13 52
293 A 293 ILE I H H < TS+ 0 0 -56.4 -48.2 179.0 51.8 107.3 22.1 289 -3.1 0 0.0 0 0.0 0 0.0 12 44
294 A 294 ARG R H H < TS+ 0 0 -58.6 -36.8 179.4 41.7 115.8 28.8 290 -2.3 0 0.0 0 0.0 0 0.0 9 34
295 A 295 GLN Q H H < TS+ 0 0 -81.0 -32.5 177.6 60.7 110.3 33.0 291 -1.2 0 0.0 0 0.0 0 0.0 11 35
296 A 296 MET M S h < TS- 0 0 -72.5 -157.0 -176.5 -12.1 128.7 85.1 292 -3.0 0 0.0 0 0.0 0 0.0 11 39
297 A 297 TYR Y S S S- 0 0 -54.4 110.7 -176.9 -100.9 105.6 99.0 0 0.0 0 0.0 0 0.0 0 0.0 7 29
298 A 298 GLY G 0 0 -39.7 138.0 -179.8 999.9 999.9 80.4 0 0.0 0 0.0 0 0.0 0 0.0 6 20
299 A 299 VAL V 0 0 -85.3 999.9 999.9 999.9 999.9 104.3 0 0.0 0 0.0 0 0.0 0 0.0 5 17
1lvoA.pdb
1LVO REPLICATION MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand TTTGGGEEEEEETTEEEEEEEETTEEEEEGGGG S TTS HHHHHHT GGG EEEETTEEE EEEEEEETTEEEEEESS TT Kabs/Sand
chirality -+------++++++++--++--+++----+--+--+--++++-+-++----+++++++--+++-++---+----+--+----+------+---++--+- chirality
bends SSSSSS SS SS S SS S SSS SSSSSSS SSS SSS SSS SS SS bends
turns TTTTTTTT TTTT TTTT TTTTTT TTTT TTTTTTTTTTTTTT TTTT TTTT TTTT turns
5-turns 5-turns
3-turns >33X>3<< >33< >33< >>><<< >33< >33<>>3<< >33< >33< >33< 3-turns
bridge-2 BBB CCC DDDDD EEE FFFFFF bridge-2
bridge-1 AAAAAA AAAAAA CCC BBB EEE F*FFFFF DDDDD bridge-1
sheets AAAAAA AAAAAAAA AAAAA AAAA AAA AAAAAAA AAAAAA sheets
4-turns >444< >>>><<<< 4-turns
summary tTTgGGeEEEEEETTEEEEEEEETeEEEEEeGGGgStTTt hHHHHHHhtgGGGgEEEETTEEEeEEEEEEETeEEEEEEeS tTTt summary
sequence SGLRKMAQPSGLVEPCIVRVSYGNNVLNGLWLGDEVICPRHVIASDTTRVINYENEMSSVRLHNFSVSKNNVFLGVVSARYKGVNLVLKVNQVNPNTPEH sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EE TT EEEEEEEETTEEEEEEEEE TTS B TT TT EEEEEETTEEEEEEEEEEE TTS EEEE TTS BGGG SSS B H Kabs/Sand
chirality -+----++-+--------+-+--+-+----+-+--+-+--+++++--+--+--+---++--+----+-+--+---+-+--+-+--+-+-+---------+ chirality
bends SS SSSS SSS SS SS SSS SSS SSS SS SSS S bends
turns TTTT TTTT TTTT TTTTTTT TTTT TTTT TTTT TTTTT TT turns
5-turns 5-turns
3-turns >33< >33< >33< >33X33< >33< >33< >33< >>3<< 3-turns
bridge-2 III JJJJJJ JJJJ*JJ A B bridge-2
bridge-1 gg HHHHHHHH HH*HHHHHH A III gg KK*KK KKKK B c bridge-1
sheets BB BBBBBBBB BBBBBBBBB BBBBBB BBBBBBBBBBB BBBB sheets
4-turns >> 4-turns
summary EEe tTTeEEEEEEEETTEEEEEEEEEetTTt B tTTtTTeEEEEEETTEEEEEEEEEEEeTTteEEEEtTTt BGGGg SSS BhH summary
sequence KFKSIKAGESFNILACYEGCPGSVYGVNMRSQGTIKGSFIAGTCGSVGYVLENGILYFVYMHHLELGNGSHVGSNFEGEMYGGYEDQPSMQLEGTNVMSS sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHHHHTT TT S HHHHHHHHTTTTB SGGGHHHHHHH HHHHHHHHHHHTT TT BTTBSS S HHHHHHHSS Kabs/Sand
chirality ++++++++++++-+++++--+----++++++++++-+------++++++++++-+--++++++++++++----+----+-+--+++--+++++++-- chirality
bends SSSSSSSSSSSSSS SS S SSSSSSSSSSSS SSS SSSSSSS SSSSSSSSSSSSS SS SSS SS S SSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTT TTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >>33<< >>3X<3< >33X33< >33X33<>33< >33< 3-turns
bridge-2 bridge-2
bridge-1 c D D bridge-1
sheets sheets
4-turns >>XXXXXXX<<<< >>>>XX>>>X<<<< >>>>XXXXX<<<< >>>>X<<<< 4-turns
summary HHHHHHHHHHHHhTttTTt S hHHHHHHHHhTTTB gGGhHHHHHHHh hHHHHHHHHHHHhTttTTt BTTBSS ShHHHHHHHhS summary
sequence DNVVAFLYAALINGERWFVTNTSMSLESYNTWAKTNSFTELSSTDAFSMLAAKTGQSVEKLLDSIVRLNKGFGGRTILSYGSLCDEFTPTEVIRQMYGV sequence
210 220 230 240 250 260 270 280 290