Secondary structure calculation program - copyright by David Keith Smith, 1989
1e54A.pdb
1E54 OUTER MEMBRANE PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 331
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 2 SER S 0 0 999.9 136.1 179.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 22
2 A 3 SER S E E AA - 43 0 -163.8 160.1 178.0 -138.2 999.9 171.1 43 -2.0 43 -2.2 0 0.0 0 0.0 6 17
3 A 4 VAL V E E AA - 42 0 -127.1 138.4 -176.6 -164.7 20.3 170.3 0 0.0 0 0.0 0 0.0 0 0.0 8 22
4 A 5 THR T E E AA - 41 0 -131.8 135.4 177.9 -166.1 15.0 169.1 41 -3.6 41 -2.7 0 0.0 6 -0.5 7 22
5 A 6 LEU L E E AA + 40 0 -115.2 120.6 -176.2 149.4 36.6 170.2 0 0.0 0 0.0 0 0.0 0 0.0 8 24
6 A 7 PHE F E E AA + 39 0 -145.9 178.9 179.0 154.4 15.5 149.3 39 -2.7 39 -2.8 4 -0.5 0 0.0 9 33
7 A 8 GLY G E E AAB - 38 331 175.1 -176.4 179.5 -117.1 29.8 171.7 331 -2.2 331 -2.4 0 0.0 0 0.0 10 41
8 A 9 ILE I E E AAB - 37 330 -149.3 129.2 176.6 -161.7 10.6 166.3 37 -2.5 37 -2.0 0 0.0 10 -0.6 13 44
9 A 10 VAL V E E A B + 0 329 -115.4 112.9 -179.4 169.7 18.9 164.0 329 -3.1 329 -3.0 0 0.0 11 -0.5 13 46
10 A 11 ASP D E E A B + 0 328 -126.1 107.5 179.0 162.3 6.1 162.4 8 -0.6 31 -2.9 0 0.0 0 0.0 16 54
11 A 12 THR T E E ACB + 30 327 -127.0 150.9 -176.8 171.0 8.4 161.3 327 -1.7 327 -2.2 9 -0.5 0 0.0 15 51
12 A 13 ASN N E E ACB - 29 326 -147.2 177.5 175.4 -108.0 37.7 149.5 29 -2.6 29 -2.4 0 0.0 0 0.0 13 52
13 A 14 VAL V E E ACB - 28 325 -110.5 130.5 -178.1 -171.1 46.6 163.7 325 -2.7 325 -2.5 0 0.0 0 0.0 11 42
14 A 15 ALA A E E ACB - 27 324 -129.1 160.7 -179.7 -173.3 16.5 153.4 27 -2.8 27 -2.0 0 0.0 0 0.0 14 50
15 A 16 TYR Y E E ACB - 26 323 -153.9 135.8 176.2 -177.4 6.8 168.8 323 -2.3 323 -2.9 0 0.0 0 0.0 13 45
16 A 17 VAL V E E ACB - 25 322 -132.0 133.3 -177.7 -137.7 26.5 175.9 25 -2.5 25 -3.0 0 0.0 0 0.0 15 51
17 A 18 ASN N S e S+ 0 0 -68.8 -14.2 179.4 13.3 81.5 51.0 321 -2.3 0 0.0 0 0.0 0 0.0 10 39
18 A 19 LYS K - 0 0 -165.0 143.4 177.9 -164.6 55.7 162.5 0 0.0 0 0.0 0 0.0 0 0.0 12 40
19 A 20 ASP D t > T - 0 0 -109.5 -167.2 -179.6 -69.7 59.9 111.5 23 -1.3 22 -1.8 0 0.0 0 0.0 14 42
20 A 21 ALA A T T 3 TS+ 0 0 -61.4 -14.9 -179.7 49.9 137.3 48.2 0 0.0 0 0.0 0 0.0 0 0.0 9 32
21 A 22 ALA A T T 3 TS- 0 0 -100.3 -8.0 179.9 -109.9 118.8 60.5 0 0.0 0 0.0 0 0.0 0 0.0 7 23
22 A 23 GLY G S t < TS+ 0 0 93.7 -0.9 179.6 125.9 77.2 64.3 19 -1.8 0 0.0 0 0.0 0 0.0 8 28
23 A 24 ASP D - 0 0 -91.5 153.8 178.6 -114.0 62.5 127.5 0 0.0 19 -1.3 0 0.0 0 0.0 8 25
24 A 25 SER S - 0 0 -80.4 156.4 -178.7 -156.2 30.2 118.2 0 0.0 0 0.0 0 0.0 0 0.0 9 32
25 A 26 ARG R E E AC + 16 0 -139.3 134.8 179.3 165.3 17.1 177.6 16 -3.0 16 -2.5 0 0.0 0 0.0 11 35
26 A 27 TYR Y E E AC + 15 0 -147.8 153.6 179.7 104.0 16.1 172.6 0 0.0 0 0.0 0 0.0 0 0.0 9 36
27 A 28 GLY G E E AC - 14 0 170.2 -159.8 179.3 -35.3 67.4 169.5 14 -2.0 14 -2.8 0 0.0 29 -0.6 9 35
28 A 29 LEU L E E AC + 13 0 -95.9 119.9 180.0 167.0 62.1 147.2 0 0.0 0 0.0 0 0.0 0 0.0 11 40
29 A 30 GLY G E E AC - 12 0 -119.4 -168.5 -178.4 -125.7 20.8 120.6 12 -2.4 12 -2.6 27 -0.6 0 0.0 14 51
30 A 31 THR T E E AC + 11 0 -140.5 167.7 176.2 22.6 64.6 153.2 307 -2.3 0 0.0 0 0.0 0 0.0 16 56
31 A 32 SER S e + 0 0 45.1 58.9 179.1 148.9 55.3 32.2 10 -2.9 110 -0.8 0 0.0 0 0.0 15 62
32 A 33 GLY G S S S+ 0 0 -86.9 -29.1 -179.6 18.6 83.0 37.9 0 0.0 0 0.0 0 0.0 0 0.0 17 67
33 A 34 ALA A S S S+ 0 0 -107.8 -40.9 178.0 4.8 140.1 41.6 0 0.0 0 0.0 0 0.0 0 0.0 11 66
34 A 35 SER S S S S- 0 0 -144.4 145.0 179.5 -98.7 85.3 172.7 0 0.0 0 0.0 0 0.0 0 0.0 11 60
35 A 36 THR T - 0 0 -66.8 127.9 179.0 -117.1 43.3 119.1 0 0.0 0 0.0 0 0.0 0 0.0 13 57
36 A 37 SER S e + 0 0 -64.0 140.8 -178.0 160.0 50.4 113.5 0 0.0 60 -1.5 0 0.0 0 0.0 15 52
37 A 38 ARG R E E AAD - 8 59 -158.6 167.5 177.4 -152.4 36.4 167.7 8 -2.0 8 -2.5 0 0.0 0 0.0 11 46
38 A 39 LEU L E E AAD + 7 58 -145.1 130.0 -180.0 155.8 32.4 167.5 58 -2.0 58 -2.5 0 0.0 0 0.0 12 41
39 A 40 GLY G E E AAD - 6 57 -155.2 167.6 178.6 -142.8 33.9 168.4 6 -2.8 6 -2.7 0 0.0 0 0.0 12 37
40 A 41 LEU L E E AAD + 5 56 -132.2 135.2 178.2 168.0 27.3 174.6 56 -2.3 56 -2.8 0 0.0 0 0.0 11 36
41 A 42 ARG R E E AAD + 4 55 -144.7 163.6 -179.8 177.2 5.9 162.5 4 -2.7 4 -3.6 0 0.0 0 0.0 11 35
42 A 43 GLY G E E AAD - 3 54 -162.2 163.7 178.7 -147.6 18.1 171.2 54 -1.8 54 -1.2 0 0.0 0 0.0 11 31
43 A 44 THR T E E AAD - 2 53 -140.7 127.4 178.7 -161.3 9.6 171.4 2 -2.2 2 -2.0 0 0.0 45 -0.6 11 30
44 A 45 GLU E E E A D - 0 52 -114.7 116.6 178.9 -139.3 16.4 162.0 52 -3.5 52 -2.3 0 0.0 46 -0.6 9 25
45 A 46 ASP D E E A D - 0 51 -73.3 114.3 -179.2 -175.6 18.2 128.5 43 -0.6 0 0.0 0 0.0 0 0.0 9 23
46 A 47 LEU L E E A * - 0 0 -91.2 -2.4 -179.7 -106.1 45.9 62.0 50 -3.0 0 0.0 44 -0.6 0 0.0 8 20
47 A 48 GLY G E E A D> TS+ 0 50 86.5 137.8 179.6 57.9 95.9 69.3 50 -0.6 50 -0.5 0 0.0 0 0.0 6 15
48 A 49 GLY G T T 3 TS- 0 0 81.0 28.3 -179.7 -61.0 130.8 38.7 0 0.0 0 0.0 0 0.0 0 0.0 4 15
49 A 50 GLY G T T 3 TS+ 0 0 77.5 -0.2 179.7 129.6 105.8 61.8 0 0.0 0 0.0 0 0.0 0 0.0 8 20
50 A 51 LEU L E E AD < T + 47 0 -93.1 130.0 -179.3 179.4 33.8 140.9 47 -0.5 46 -3.0 0 0.0 47 -0.6 11 24
51 A 52 LYS K E E ADE - 45 81 -132.7 146.0 177.3 -154.4 19.1 166.5 81 -2.9 81 -2.9 0 0.0 0 0.0 12 30
52 A 53 ALA A E E ADE + 44 80 -114.0 144.9 -179.9 175.7 23.3 153.7 44 -2.3 44 -3.5 0 0.0 0 0.0 12 31
53 A 54 GLY G E E ADE - 43 79 -149.6 160.3 178.6 -161.3 19.2 169.9 79 -2.3 79 -3.1 0 0.0 0 0.0 11 38
54 A 55 PHE F E E ADE - 42 78 -138.5 154.3 -179.6 -172.2 5.2 164.2 42 -1.2 42 -1.8 0 0.0 0 0.0 11 39
55 A 56 TRP W E E ADE + 41 77 -154.0 118.4 179.7 178.6 4.3 154.3 77 -2.4 77 -2.7 0 0.0 0 0.0 12 44
56 A 57 LEU L E E ADE + 40 76 -123.3 120.7 -178.7 166.3 15.1 172.2 40 -2.8 40 -2.3 0 0.0 0 0.0 12 38
57 A 58 GLU E E E ADE + 39 75 -142.8 137.8 179.7 176.8 10.4 176.7 75 -3.5 75 -1.7 0 0.0 74 -1.5 14 41
58 A 59 GLY G E E AD - 38 0 -135.1 157.4 -179.3 -100.1 33.5 160.5 38 -2.5 38 -2.0 0 0.0 0 0.0 13 41
59 A 60 GLU E E E AD - 37 0 -80.9 146.8 179.1 -143.1 28.2 119.2 0 0.0 0 0.0 0 0.0 0 0.0 13 50
60 A 61 ILE I e - 0 0 -109.5 138.2 177.8 -164.4 7.7 152.1 36 -1.5 0 0.0 0 0.0 0 0.0 12 46
61 A 62 PHE F t >>T + 0 0 -122.1 85.5 -178.9 179.6 8.7 142.3 0 0.0 66 -1.6 0 0.0 64 -1.0 10 48
62 A 63 GLY G T T 35TS+ 0 0 -58.8 -25.9 -179.6 66.1 72.8 43.5 0 0.0 0 0.0 0 0.0 0 0.0 12 41
63 A 64 ASP D T T 35TS+ 0 0 -69.9 -30.4 179.3 15.4 121.1 34.2 0 0.0 0 0.0 0 0.0 0 0.0 10 36
64 A 65 ASP D T T <5TS- 0 0 -127.2 15.4 179.5 -110.1 104.8 76.4 61 -1.0 0 0.0 0 0.0 0 0.0 6 25
65 A 66 GLY G T T 5TS- 0 0 59.7 40.7 -178.6 -59.2 73.9 31.9 0 0.0 0 0.0 0 0.0 0 0.0 7 26
66 A 67 ASN N S t > TS- 0 85 -164.1 -159.1 179.5 -52.4 74.6 144.4 85 -2.6 85 -1.8 0 0.0 0 0.0 9 25
83 A 84 ASN N T T 3 TS+ 0 0 -70.9 -8.7 178.5 68.8 128.1 53.5 0 0.0 0 0.0 0 0.0 0 0.0 7 23
84 A 85 PHE F T T 3 TS- 0 0 -82.8 -8.0 -178.8 -113.9 115.7 55.9 0 0.0 0 0.0 0 0.0 0 0.0 7 25
85 A 86 GLY G E E AF < T - 82 0 114.8 -138.3 -179.2 -49.2 47.2 158.1 82 -1.8 82 -2.6 0 0.0 0 0.0 10 31
86 A 87 GLU E E E AFG - 81 140 -147.0 134.3 178.0 -160.8 33.9 171.9 140 -2.5 140 -2.8 0 0.0 0 0.0 13 40
87 A 88 VAL V E E AFG - 80 139 -113.6 131.1 -178.9 -168.5 15.7 162.0 80 -2.5 80 -1.9 0 0.0 0 0.0 11 41
88 A 89 ARG R E E AFG - 79 138 -124.3 137.0 178.8 -165.7 6.2 164.9 138 -2.6 138 -2.8 0 0.0 0 0.0 12 48
89 A 90 LEU L E E AFG + 78 137 -124.2 130.2 179.5 38.7 48.6 169.3 78 -2.3 78 -1.7 0 0.0 0 0.0 11 41
90 A 91 GLY G S e S- 0 0 124.0 168.5 179.1 -32.0 95.3 120.5 136 -2.6 0 0.0 0 0.0 0 0.0 12 44
91 A 92 ARG R S S S+ 0 0 -57.1 139.9 -179.0 129.1 76.0 106.8 0 0.0 76 -2.3 0 0.0 0 0.0 14 46
92 A 93 ASP D E E BH - 133 0 -174.3 176.0 175.7 -59.2 65.7 162.7 133 -1.0 133 -1.8 0 0.0 0 0.0 13 58
93 A 94 LEU L E E BH - 132 0 -67.4 144.1 177.8 -113.3 63.1 120.8 0 0.0 0 0.0 0 0.0 0 0.0 11 62
94 A 95 VAL V h > > T - 0 0 -78.1 150.5 -179.3 -105.8 29.9 123.1 131 -2.0 98 -2.6 0 0.0 97 -0.6 13 62
95 A 96 PRO P H H > 3 TS+ 0 0 -44.8 -42.7 -179.6 56.1 116.9 31.7 0 0.0 99 -2.0 0 0.0 0 0.0 13 62
96 A 97 THR T H H > 3 TS+ 0 0 -60.9 -45.3 -179.7 35.9 114.5 23.1 0 0.0 100 -2.1 0 0.0 0 0.0 13 64
97 A 98 SER S H H > < TS+ 0 0 -78.0 -34.4 -179.6 59.8 112.0 30.6 94 -0.6 101 -2.0 0 0.0 0 0.0 12 68
98 A 99 GLN Q H H < TS+ 0 0 -57.9 -44.4 -179.5 32.2 117.3 21.8 94 -2.6 0 0.0 0 0.0 0 0.0 10 55
99 A 100 LYS K H H < > TS+ 0 0 -78.4 -48.9 -176.6 48.0 120.6 20.5 95 -2.0 102 -1.1 0 0.0 0 0.0 9 58
100 A 101 LEU L H H < > TS+ 0 0 -70.5 -23.5 178.8 63.0 99.6 44.7 96 -2.1 103 -1.2 0 0.0 0 0.0 13 61
101 A 102 THR T G h < > TS+ 0 0 -76.1 -9.8 179.5 81.2 84.4 51.0 97 -2.0 104 -1.7 0 0.0 0 0.0 9 59
102 A 103 SER S G G < TS+ 0 0 -67.7 -14.3 179.6 60.8 84.1 47.3 99 -1.1 0 0.0 0 0.0 0 0.0 8 57
103 A 104 TYR Y G G < TS+ 0 0 -89.2 -5.1 179.0 98.1 80.2 58.8 100 -1.2 105 -0.7 0 0.0 0 0.0 12 56
104 A 105 ASP D g X T - 0 0 -84.1 114.0 -179.2 -154.5 65.7 138.3 101 -1.7 107 -1.8 0 0.0 0 0.0 14 62
105 A 106 LEU L T T 3 TS+ 0 0 -64.4 -16.6 179.1 54.2 94.3 46.4 103 -0.7 0 0.0 0 0.0 0 0.0 12 61
106 A 107 PHE F T T > TS- 0 0 -103.9 19.3 176.6 -123.0 109.4 80.5 0 0.0 109 -1.7 0 0.0 0 0.0 10 59
107 A 108 SER S T T < T - 0 0 45.2 45.0 178.2 -71.2 56.4 38.1 104 -1.8 0 0.0 0 0.0 0 0.0 11 57
108 A 109 ALA A T T 3 TS+ 0 0 48.5 33.1 179.1 90.0 112.9 39.5 0 0.0 0 0.0 0 0.0 0 0.0 9 54
109 A 110 THR T t < T + 0 0 -148.5 167.9 179.9 43.8 55.5 161.4 106 -1.7 0 0.0 0 0.0 0 0.0 13 66
110 A 111 GLY G S S S- 0 0 87.3 178.8 -179.1 -49.0 100.4 102.3 31 -0.8 0 0.0 0 0.0 0 0.0 16 67
111 A 112 ILE I S S S+ 0 0 -60.0 -35.5 -178.1 27.6 130.4 37.2 0 0.0 305 -1.7 0 0.0 0 0.0 14 73
112 A 113 GLY G S S S+ 0 0 -131.7 61.4 179.3 136.4 75.5 110.7 0 0.0 0 0.0 0 0.0 0 0.0 14 73
113 A 114 PRO P S S S- 0 0 -89.0 -173.3 177.0 -66.8 71.8 104.4 0 0.0 0 0.0 0 0.0 0 0.0 12 67
114 A 115 PHE F - 0 0 -74.0 123.5 -178.2 -165.0 48.1 131.1 0 0.0 0 0.0 0 0.0 0 0.0 10 71
115 A 116 MET M + 0 0 -98.1 15.6 -180.0 107.1 56.8 77.8 0 0.0 0 0.0 0 0.0 0 0.0 7 70
116 A 117 GLY G + 0 0 -61.3 -34.2 179.7 73.8 65.7 32.9 0 0.0 118 -1.7 0 0.0 0 0.0 9 73
117 A 118 PHE F S S S+ 0 0 -83.2 82.0 178.4 107.5 78.4 126.9 0 0.0 0 0.0 0 0.0 0 0.0 9 67
118 A 119 ARG R S S S- 0 0 -151.6 167.5 -178.4 -91.3 82.0 164.6 116 -1.7 120 -1.8 0 0.0 0 0.0 9 60
119 A 120 ASN N t > T + 0 0 -82.5 77.5 -178.4 168.4 47.7 125.2 0 0.0 122 -1.2 0 0.0 0 0.0 9 53
120 A 121 TRP W T T 3 TS+ 0 0 -62.9 -31.2 -177.6 45.2 73.8 37.8 118 -1.8 0 0.0 0 0.0 0 0.0 8 57
121 A 122 ALA A T T 3 TS- 0 0 -97.6 7.7 -178.8 -113.8 109.7 69.9 0 0.0 0 0.0 0 0.0 0 0.0 7 52
122 A 123 ALA A t < T - 0 0 60.4 41.4 178.8 -171.0 50.1 22.4 119 -1.2 0 0.0 0 0.0 0 0.0 6 44
123 A 124 GLY G - 0 0 -61.0 160.1 -178.4 -131.1 26.4 101.4 0 0.0 0 0.0 0 0.0 0 0.0 11 51
124 A 125 GLN Q S S S+ 0 0 -100.2 10.0 178.4 110.0 70.1 74.1 194 -2.9 0 0.0 0 0.0 0 0.0 11 41
125 A 126 GLY G S t > TS- 0 0 -82.5 156.9 -179.7 -120.9 75.9 120.5 0 0.0 128 -0.9 0 0.0 0 0.0 9 50
126 A 127 ALA A T T 3 TS+ 0 0 -64.9 -37.0 -178.7 29.2 109.5 31.5 0 0.0 0 0.0 0 0.0 0 0.0 5 47
127 A 128 ASP D T T > TS+ 0 0 -121.4 48.4 -179.9 139.8 71.3 105.8 0 0.0 130 -1.5 0 0.0 0 0.0 9 54
128 A 129 ASP D T T < T + 0 0 -74.6 9.7 175.6 77.3 60.7 70.7 125 -0.9 0 0.0 0 0.0 0 0.0 13 56
129 A 130 ASN N T T 3 TS- 0 0 -95.1 5.5 178.9 -126.1 104.2 69.9 0 0.0 0 0.0 0 0.0 0 0.0 8 58
130 A 131 GLY G S t < TS+ 0 0 59.9 25.0 -179.3 108.3 79.4 45.7 127 -1.5 0 0.0 0 0.0 0 0.0 12 67
131 A 132 ILE I S e S+ 0 0 -96.8 -53.1 180.0 7.7 78.0 25.0 0 0.0 94 -2.0 0 0.0 0 0.0 12 63
132 A 133 ARG R E E BH - 93 0 -125.5 172.2 178.9 -155.3 60.5 140.3 0 0.0 0 0.0 0 0.0 0 0.0 11 59
133 A 134 ALA A E E BH > T - 92 0 -153.5 140.2 176.8 -132.2 13.1 170.5 92 -1.8 92 -1.0 0 0.0 136 -0.5 14 56
134 A 135 ASN N T T 3 TS+ 0 0 -79.1 162.9 176.0 24.1 92.2 113.9 0 0.0 0 0.0 0 0.0 0 0.0 10 48
135 A 136 ASN N T e 3 TS+ 0 0 51.3 37.5 -177.4 168.8 90.6 36.4 0 0.0 155 -1.7 0 0.0 0 0.0 10 44
136 A 137 LEU L E E A I< T - 0 154 -91.5 140.5 176.2 -170.9 27.8 126.9 133 -0.5 90 -2.6 0 0.0 0 0.0 15 52
137 A 138 ILE I E E AGI - 89 153 -125.2 121.3 -179.7 -173.9 17.2 174.5 153 -2.3 153 -2.3 0 0.0 0 0.0 11 44
138 A 139 SER S E E AGI - 88 152 -119.7 153.5 177.2 -164.2 15.9 149.8 88 -2.8 88 -2.6 0 0.0 0 0.0 14 52
139 A 140 TYR Y E E AGI - 87 151 -136.8 122.7 178.8 -172.4 6.3 169.8 151 -2.7 151 -2.8 0 0.0 0 0.0 11 43
140 A 141 TYR Y E E AGI - 86 150 -117.8 129.0 -179.7 -138.1 17.3 165.6 86 -2.8 86 -2.5 0 0.0 0 0.0 11 44
141 A 142 THR T e - 0 0 -78.4 165.1 178.9 -105.0 25.0 106.7 149 -2.5 0 0.0 0 0.0 0 0.0 10 34
142 A 143 PRO P - 0 0 -80.4 176.8 -179.8 -84.9 50.2 109.0 0 0.0 0 0.0 0 0.0 0 0.0 9 31
143 A 144 ASN N - 0 0 -89.2 132.5 -179.6 -167.5 39.5 136.4 0 0.0 145 -0.5 0 0.0 0 0.0 7 28
144 A 145 PHE F B B A > TS- 147 0 -121.2 89.7 179.9 -45.7 70.1 144.1 147 -3.2 147 -1.7 0 0.0 0 0.0 6 20
145 A 146 GLY G T T 3 TS- 0 0 54.2 48.0 179.9 -38.8 122.6 22.6 143 -0.5 0 0.0 0 0.0 0 0.0 5 18
146 A 147 GLY G T e 3 TS+ 0 0 96.7 -37.6 -179.6 113.1 116.9 97.0 0 0.0 178 -3.1 0 0.0 0 0.0 9 23
147 A 148 PHE F E E AAJ< T + 144 177 -74.4 137.3 180.0 158.3 35.8 118.6 144 -1.7 144 -3.2 0 0.0 0 0.0 10 29
148 A 149 ASN N E E A J - 0 176 -157.4 145.3 -179.6 -173.7 13.6 169.1 176 -2.1 176 -2.3 0 0.0 0 0.0 13 36
149 A 150 ALA A E E A J - 0 175 -140.7 164.6 179.7 -159.6 7.7 159.0 0 0.0 141 -2.5 0 0.0 0 0.0 10 42
150 A 151 GLY G E E AIJ - 140 174 -146.9 142.5 -179.7 -169.2 5.2 175.6 174 -1.6 174 -2.1 0 0.0 0 0.0 13 48
151 A 152 PHE F E E AIJ - 139 173 -133.5 147.0 179.7 -175.6 6.9 167.5 139 -2.8 139 -2.7 0 0.0 0 0.0 12 48
152 A 153 GLY G E E AIJ - 138 172 -144.8 154.5 178.4 -169.2 12.5 170.4 172 -2.9 172 -1.7 0 0.0 0 0.0 14 49
153 A 154 TYR Y E E AIJ - 137 171 -142.3 130.3 178.8 -164.8 6.6 171.3 137 -2.3 137 -2.3 0 0.0 0 0.0 11 46
154 A 155 ALA A E E AIJ - 136 170 -120.5 126.0 -179.9 -128.3 21.5 166.7 170 -2.3 170 -1.6 0 0.0 0 0.0 13 49
155 A 156 PHE F e - 0 0 -72.4 132.3 179.0 -157.6 7.1 120.5 135 -1.7 0 0.0 0 0.0 0 0.0 10 38
156 A 157 ASP D t > T - 0 0 -77.3 -28.9 -179.7 -153.3 18.5 37.8 0 0.0 159 -1.2 0 0.0 0 0.0 11 40
157 A 158 GLU E T T 3 T - 0 0 56.9 33.8 179.2 -66.0 62.9 35.6 0 0.0 0 0.0 0 0.0 0 0.0 6 27
158 A 159 LYS K T T 3 TS+ 0 0 61.8 30.3 177.6 173.9 75.3 40.4 0 0.0 0 0.0 0 0.0 0 0.0 7 25
159 A 160 GLN Q t < T - 0 0 -65.9 123.6 -177.7 -160.5 18.7 123.7 156 -1.2 167 -2.3 0 0.0 0 0.0 9 34
160 A 161 THR T + 0 0 -121.6 131.1 179.4 168.5 25.6 159.5 0 0.0 0 0.0 0 0.0 0 0.0 9 29
161 A 162 ILE I B B B > T - 164 0 -135.4 118.7 -179.0 -46.1 68.0 168.6 164 -2.5 164 -2.6 0 0.0 0 0.0 11 31
162 A 163 GLY G T T 3 TS- 0 0 57.3 -131.0 -179.8 -14.9 127.4 109.7 0 0.0 0 0.0 0 0.0 0 0.0 10 26
163 A 164 THR T T T 3 TS+ 0 0 -84.3 3.0 179.3 97.3 118.0 64.7 197 -2.3 165 -0.6 0 0.0 0 0.0 9 28
164 A 165 ALA A B B B < T + 161 0 -94.6 119.1 -179.7 170.1 41.4 145.9 161 -2.6 161 -2.5 0 0.0 0 0.0 14 37
165 A 166 ASP D S S S+ 0 0 -113.3 17.4 178.8 50.1 73.5 79.6 163 -0.6 0 0.0 0 0.0 0 0.0 10 30
166 A 167 SER S S t > TS+ 0 0 -143.0 37.0 179.7 164.7 72.3 96.2 0 0.0 169 -1.6 0 0.0 0 0.0 12 41
167 A 168 VAL V T T 3 T + 0 0 -60.5 133.7 179.2 27.4 64.5 109.2 159 -2.3 0 0.0 0 0.0 0 0.0 15 49
168 A 169 GLY G T T 3 TS+ 0 0 101.0 -17.2 179.9 142.6 80.5 78.6 192 -2.6 0 0.0 0 0.0 0 0.0 16 56
169 A 170 ARG R e < T - 0 0 -60.7 136.0 179.1 -167.3 30.0 110.6 166 -1.6 192 -2.0 0 0.0 0 0.0 13 54
170 A 171 TYR Y E E AJK + 154 191 -129.7 138.8 176.8 172.4 16.6 169.5 154 -1.6 154 -2.3 0 0.0 0 0.0 14 59
171 A 172 ILE I E E AJK + 153 190 -143.0 125.1 -179.3 104.7 32.1 167.3 190 -2.0 190 -2.8 0 0.0 0 0.0 11 46
172 A 173 GLY G E E AJK + 152 189 177.5 175.3 -179.8 172.7 26.5 170.5 152 -1.7 152 -2.9 0 0.0 0 0.0 13 51
173 A 174 GLY G E E AJK - 151 188 -179.5 -175.7 -179.9 -122.8 19.4 167.2 188 -2.3 188 -2.4 0 0.0 0 0.0 13 52
174 A 175 TYR Y E E AJK - 150 187 -149.9 161.5 178.1 -148.0 1.5 168.2 150 -2.1 150 -1.6 0 0.0 0 0.0 14 51
175 A 176 VAL V E E AJK + 149 186 -129.8 132.5 -179.0 168.5 30.6 174.8 186 -2.1 186 -2.2 0 0.0 0 0.0 11 41
176 A 177 ALA A E E AJK - 148 185 -145.4 166.6 177.7 -140.2 32.6 160.4 148 -2.3 148 -2.1 0 0.0 0 0.0 12 45
177 A 178 TYR Y E E AJK + 147 184 -129.3 117.3 179.4 175.6 23.4 170.9 184 -2.6 184 -2.1 0 0.0 0 0.0 11 34
178 A 179 ASP D E E A K + 0 183 -128.2 113.0 -180.0 139.7 16.4 162.6 146 -3.1 0 0.0 0 0.0 0 0.0 10 33
179 A 180 ASN N E E A K> T - 0 182 -155.4 125.8 179.5 -45.8 65.6 158.0 182 -2.3 182 -2.2 0 0.0 0 0.0 8 23
180 A 181 GLY G T T 3 TS- 0 0 54.5 -127.7 -179.7 -10.0 124.1 105.3 0 0.0 0 0.0 0 0.0 0 0.0 5 22
181 A 182 PRO P T e 3 TS+ 0 0 -80.7 -4.8 -178.5 86.3 121.0 59.9 0 0.0 212 -1.9 0 0.0 0 0.0 8 27
182 A 183 LEU L E E AKL< T + 179 211 -105.4 140.5 179.0 165.9 45.2 143.7 179 -2.2 179 -2.3 0 0.0 0 0.0 11 28
183 A 184 SER S E E AKL + 178 210 -151.0 126.1 180.0 167.1 3.5 162.4 210 -1.6 210 -2.3 0 0.0 0 0.0 12 40
184 A 185 ALA A E E AKL + 177 209 -143.2 139.0 -179.4 179.7 6.8 176.6 177 -2.1 177 -2.6 0 0.0 0 0.0 11 46
185 A 186 SER S E E AKL - 176 208 -143.6 151.1 177.3 -162.1 17.4 171.5 208 -3.2 208 -2.8 0 0.0 0 0.0 13 46
186 A 187 LEU L E E AKL - 175 207 -131.5 120.5 179.2 -173.4 17.8 172.5 175 -2.2 175 -2.1 0 0.0 0 0.0 11 44
187 A 188 GLY G E E AKL - 174 206 -120.5 142.1 179.0 -176.3 7.7 160.0 206 -3.2 206 -2.8 0 0.0 0 0.0 14 53
188 A 189 LEU L E E AKL + 173 205 -133.7 135.6 -179.8 161.8 13.8 177.9 173 -2.4 173 -2.3 0 0.0 0 0.0 12 47
189 A 190 ALA A E E AKL - 172 204 -154.8 152.5 177.0 -163.4 20.6 176.9 204 -2.2 204 -2.7 0 0.0 0 0.0 12 56
190 A 191 GLN Q E E AKL - 171 203 -139.1 132.8 177.2 -172.0 7.9 175.0 171 -2.8 171 -2.0 0 0.0 0 0.0 11 57
191 A 192 GLN Q E E AKL - 170 202 -120.9 150.0 177.3 -129.7 21.7 156.1 202 -2.0 202 -3.0 0 0.0 0 0.0 14 68
192 A 193 LYS K E E A L + 0 201 -97.1 133.9 179.2 138.5 46.8 146.9 169 -2.0 168 -2.6 0 0.0 0 0.0 14 60
193 A 194 THR T E E A L - 0 200 -152.2 -162.1 179.4 -111.1 43.0 140.0 200 -2.7 200 -2.3 0 0.0 0 0.0 17 57
194 A 195 ALA A E E A L - 0 199 -147.7 140.0 177.7 -166.7 12.9 172.4 0 0.0 124 -2.9 0 0.0 0 0.0 18 49
195 A 196 VAL V E E A L> TS- 0 198 -128.3 121.2 -178.9 -8.5 86.1 174.6 198 -1.9 198 -1.6 0 0.0 0 0.0 12 45
196 A 197 GLY G T T 3 TS- 0 0 60.8 31.0 179.2 -58.0 131.3 32.6 0 0.0 0 0.0 0 0.0 0 0.0 7 34
197 A 198 GLY G T T 3 TS+ 0 0 75.8 11.2 -179.6 122.1 111.8 53.9 0 0.0 163 -2.3 0 0.0 0 0.0 10 33
198 A 199 LEU L E E AL < TS- 195 0 -113.2 131.6 -179.9 -102.4 72.5 156.1 195 -1.6 195 -1.9 0 0.0 0 0.0 13 35
199 A 200 ALA A E E AL + 194 0 -48.8 128.9 -179.2 176.4 50.2 101.0 0 0.0 230 -2.5 0 0.0 0 0.0 15 42
200 A 201 THR T E E ALM - 193 229 -142.6 144.2 177.4 -138.6 27.7 175.6 193 -2.3 193 -2.7 0 0.0 0 0.0 13 52
201 A 202 ASP D E E ALM - 192 228 -101.6 132.4 177.3 -151.7 11.6 150.8 228 -2.4 228 -2.7 0 0.0 203 -0.8 14 55
202 A 203 ARG R E E ALM - 191 227 -104.5 102.6 179.8 -172.3 19.6 154.5 191 -3.0 191 -2.0 0 0.0 0 0.0 13 62
203 A 204 ASP D E E ALM - 190 226 -99.1 133.1 -178.4 -178.6 4.1 147.3 226 -3.0 226 -3.2 201 -0.8 0 0.0 12 57
204 A 205 GLU E E E ALM - 189 225 -139.0 124.7 177.7 -178.8 12.4 169.0 189 -2.7 189 -2.2 0 0.0 0 0.0 12 59
205 A 206 ILE I E E ALM - 188 224 -120.2 132.1 -177.9 -177.0 12.1 168.7 224 -2.1 224 -2.4 0 0.0 0 0.0 11 50
206 A 207 THR T E E ALM - 187 223 -136.8 128.9 178.5 -170.7 11.1 171.0 187 -2.8 187 -3.2 0 0.0 0 0.0 12 56
207 A 208 LEU L E E ALM + 186 222 -118.5 130.2 -179.7 172.7 15.9 164.9 222 -3.4 222 -2.7 0 0.0 0 0.0 12 47
208 A 209 GLY G E E ALM + 185 221 -138.2 155.0 179.5 163.3 7.8 165.1 185 -2.8 185 -3.2 0 0.0 0 0.0 13 53
209 A 210 ALA A E E ALM - 184 220 -164.1 153.5 178.7 -175.5 7.6 167.3 220 -1.6 220 -2.6 0 0.0 0 0.0 12 46
210 A 211 SER S E E ALM - 183 219 -152.9 152.3 179.2 -157.6 8.7 170.5 183 -2.3 183 -1.6 0 0.0 0 0.0 13 45
211 A 212 TYR Y E E ALM - 182 218 -137.6 127.0 179.8 -148.3 10.1 172.2 218 -2.6 218 -3.0 0 0.0 213 -0.8 10 32
212 A 213 ASN N E E A M + 0 217 -97.4 107.5 179.2 177.3 15.9 147.8 181 -1.9 0 0.0 0 0.0 0 0.0 10 31
213 A 214 PHE F e - 0 0 -90.4 11.2 -179.9 -123.7 44.0 75.8 216 -2.5 215 -2.1 211 -0.8 0 0.0 8 20
214 A 215 GLY G S S S+ 0 0 82.3 -64.6 179.7 56.2 107.5 112.7 0 0.0 0 0.0 0 0.0 0 0.0 5 20
215 A 216 VAL V S S S- 0 0 -71.7 -22.0 179.6 -3.1 129.5 42.9 213 -2.1 0 0.0 0 0.0 0 0.0 7 22
216 A 217 ALA A e - 0 0 -161.8 162.3 179.1 -132.1 67.7 166.7 0 0.0 213 -2.5 0 0.0 0 0.0 10 27
217 A 218 LYS K E E AMN - 212 245 -126.8 137.3 -179.6 -153.4 13.1 169.2 245 -2.7 245 -2.1 0 0.0 0 0.0 12 36
218 A 219 LEU L E E AMN + 211 244 -111.3 135.5 -179.8 173.1 19.0 155.6 211 -3.0 211 -2.6 0 0.0 0 0.0 12 38
219 A 220 SER S E E AMN + 210 243 -144.4 144.7 179.8 175.4 3.9 178.7 243 -2.8 243 -4.0 0 0.0 0 0.0 14 49
220 A 221 GLY G E E AMN - 209 242 -147.7 160.0 179.2 -157.7 13.3 168.2 209 -2.6 209 -1.6 0 0.0 0 0.0 13 53
221 A 222 LEU L E E AMN - 208 241 -141.2 137.6 178.2 -171.0 2.3 178.5 241 -2.5 241 -2.1 0 0.0 0 0.0 14 56
222 A 223 LEU L E E AMN + 207 240 -127.2 125.2 -179.3 168.2 20.0 176.9 207 -2.7 207 -3.4 0 0.0 0 0.0 11 47
223 A 224 GLN Q E E AMN - 206 239 -146.4 144.5 177.9 -168.5 24.0 176.3 239 -2.3 239 -2.7 0 0.0 0 0.0 12 56
224 A 225 GLN Q E E AMN - 205 238 -130.9 118.7 179.9 -172.7 10.4 169.2 205 -2.4 205 -2.1 0 0.0 226 -0.5 11 50
225 A 226 THR T E E AMN - 204 237 -114.9 121.5 -179.2 -177.7 5.6 163.2 237 -2.6 237 -2.0 0 0.0 0 0.0 12 55
226 A 227 LYS K E E AMN - 203 236 -126.6 117.8 176.7 -164.8 15.3 163.0 203 -3.2 203 -3.0 224 -0.5 228 -0.7 12 49
227 A 228 PHE F E E AMN - 202 235 -95.1 112.2 179.5 -174.5 19.3 152.1 235 -3.0 235 -2.8 0 0.0 229 -0.6 12 55
228 A 229 LYS K E E AMN - 201 234 -117.6 116.4 179.7 -142.9 14.9 159.2 201 -2.7 201 -2.4 226 -0.7 0 0.0 12 42
229 A 230 ARG R E E AM > T - 200 0 -71.4 145.4 179.1 -129.8 15.7 114.9 233 -2.3 232 -1.4 227 -0.6 0 0.0 13 39
230 A 231 ASP D T e 3 TS+ 0 0 -59.9 -47.6 -179.2 51.7 109.9 19.9 199 -2.5 0 0.0 0 0.0 0 0.0 8 31
231 A 232 ILE I T T 3 TS- 0 0 -72.5 5.6 179.7 -90.7 126.8 68.2 0 0.0 0 0.0 0 0.0 0 0.0 6 20
232 A 233 GLY G S t < TS+ 0 0 102.5 154.7 -179.1 90.5 83.1 92.2 229 -1.4 0 0.0 0 0.0 0 0.0 6 22
233 A 234 GLY G e - 0 0 91.9 129.4 180.0 -157.4 47.5 67.3 0 0.0 229 -2.3 0 0.0 0 0.0 6 26
234 A 235 ASP D E E AN - 228 0 -142.2 158.5 179.2 -135.8 18.1 164.7 0 0.0 236 -0.6 0 0.0 0 0.0 9 37
235 A 236 ILE I E E AN - 227 0 -115.0 112.8 -179.1 -177.5 30.7 164.2 227 -2.8 227 -3.0 0 0.0 0 0.0 11 47
236 A 237 LYS K E E AN + 226 0 -116.5 141.4 179.0 174.2 8.8 155.4 234 -0.6 264 -1.2 0 0.0 265 -1.1 11 45
237 A 238 THR T E E ANO - 225 263 -146.3 131.8 179.6 -156.1 14.9 170.9 225 -2.0 225 -2.6 0 0.0 0 0.0 13 51
238 A 239 ASN N E E ANO - 224 262 -110.6 130.7 -179.5 -163.4 11.7 159.9 262 -2.2 262 -3.4 0 0.0 0 0.0 13 46
239 A 240 SER S E E ANO - 223 261 -117.8 134.1 -179.8 -172.2 5.0 161.2 223 -2.7 223 -2.3 0 0.0 0 0.0 13 55
240 A 241 TYR Y E E ANO + 222 260 -124.7 142.8 -179.8 176.8 6.0 164.0 260 -2.8 260 -2.7 0 0.0 0 0.0 11 47
241 A 242 MET M E E ANO + 221 259 -150.9 136.5 178.1 176.0 10.8 170.9 221 -2.1 221 -2.5 0 0.0 0 0.0 12 52
242 A 243 LEU L E E ANO + 220 258 -138.3 129.8 -179.8 174.1 15.4 174.0 258 -2.2 258 -2.8 0 0.0 0 0.0 11 49
243 A 244 GLY G E E ANO - 219 257 -138.7 160.9 179.2 -157.4 18.4 160.4 219 -4.0 219 -2.8 0 0.0 0 0.0 13 49
244 A 245 ALA A E E ANO - 218 256 -138.1 138.6 -179.6 -168.8 8.8 176.5 256 -2.8 256 -2.6 0 0.0 0 0.0 12 43
245 A 246 SER S E E ANO - 217 255 -127.6 144.9 179.8 -176.1 4.7 163.2 217 -2.1 217 -2.7 0 0.0 0 0.0 12 44
246 A 247 ALA A E E A O - 0 254 -148.0 133.8 179.7 -127.4 22.9 169.8 254 -2.7 254 -3.1 0 0.0 0 0.0 10 33
247 A 248 PRO P E E A O - 0 253 -76.1 143.5 -179.7 -153.3 9.8 121.0 0 0.0 0 0.0 0 0.0 0 0.0 10 28
248 A 249 VAL V e - 0 0 -105.5 24.9 178.9 -114.8 39.6 86.0 252 -3.3 250 -1.4 0 0.0 0 0.0 8 25
249 A 250 GLY G S S S+ 0 0 86.4 -85.7 -179.5 70.1 100.6 127.9 0 0.0 251 -3.2 0 0.0 0 0.0 6 19
250 A 251 GLY G S S S- 0 0 -68.9 61.1 180.0 -69.8 132.4 105.5 248 -1.4 0 0.0 0 0.0 0 0.0 4 19
251 A 252 VAL V S e S+ 0 0 54.2 40.9 178.7 133.4 101.1 27.0 249 -3.2 280 -2.7 0 0.0 0 0.0 9 23
252 A 253 GLY G E E A P - 0 279 -119.0 153.1 -179.7 -165.9 36.4 151.8 0 0.0 248 -3.3 0 0.0 0 0.0 11 31
253 A 254 GLU E E E AOP - 247 278 -145.0 135.9 178.4 -160.0 8.5 173.4 278 -2.0 278 -2.5 0 0.0 0 0.0 12 39
254 A 255 VAL V E E AOP - 246 277 -113.6 139.9 -179.2 -171.1 13.6 156.8 246 -3.1 246 -2.7 0 0.0 0 0.0 12 41
255 A 256 LYS K E E AOP - 245 276 -135.8 138.9 179.4 -179.2 11.1 174.2 276 -2.6 276 -2.7 0 0.0 0 0.0 13 53
256 A 257 LEU L E E AOP + 244 275 -136.4 124.4 -179.3 176.7 10.8 172.5 244 -2.6 244 -2.8 0 0.0 0 0.0 11 47
257 A 258 GLN Q E E AOP - 243 274 -135.8 138.1 179.5 -162.8 12.4 173.5 274 -2.6 274 -2.6 0 0.0 0 0.0 12 53
258 A 259 TYR Y E E AOP - 242 273 -118.3 140.3 -179.8 -177.8 11.1 159.1 242 -2.8 242 -2.2 0 0.0 0 0.0 11 48
259 A 260 ALA A E E AOP - 241 272 -138.7 147.0 179.4 -165.5 10.9 170.6 272 -2.6 272 -2.7 0 0.0 0 0.0 12 54
260 A 261 LEU L E E AOP - 240 271 -135.1 124.5 179.8 -162.9 4.9 173.1 240 -2.7 240 -2.8 0 0.0 262 -0.6 11 48
261 A 262 TYR Y E E AOP - 239 270 -113.8 110.9 -179.6 -164.4 1.5 157.8 270 -2.6 270 -1.1 0 0.0 263 -1.0 12 55
262 A 263 ASP D E E AOP - 238 269 -96.5 95.6 -178.7 -167.1 6.1 141.5 238 -3.4 238 -2.2 260 -0.6 264 -1.2 11 44
263 A 264 GLN Q E E AOP>>T - 237 268 -87.9 91.3 -178.9 -179.5 8.0 132.9 268 -2.2 268 -2.1 261 -1.0 266 -0.8 12 44
264 A 265 LYS K G e >5TS+ 0 0 -56.2 -48.6 -179.2 66.3 73.4 26.8 262 -1.2 267 -2.3 236 -1.2 0 0.0 10 33
265 A 266 ALA A G G 35TS+ 0 0 -45.9 -36.5 179.8 24.4 119.4 36.6 236 -1.1 0 0.0 0 0.0 0 0.0 9 35
266 A 267 ILE I G G <5TS- 0 0 -115.2 14.7 -179.5 -125.2 104.9 79.1 263 -0.8 0 0.0 0 0.0 0 0.0 7 29
267 A 268 ASP D T g <5T + 0 0 40.9 52.2 179.9 128.1 68.3 27.9 264 -2.3 0 0.0 0 0.0 0 0.0 8 28
268 A 269 SER S E E AP T - 0 0 -100.8 143.7 178.2 -40.0 54.1 141.9 269 -3.2 300 -2.5 0 0.0 0 0.0 11 32
298 A 299 ASP D T T 3 TS+ 0 0 46.7 -112.0 -178.3 0.8 131.7 98.4 0 0.0 0 0.0 0 0.0 0 0.0 8 26
299 A 300 ALA A T T 3 TS+ 0 0 -86.7 -4.0 -179.5 120.9 98.7 60.3 0 0.0 0 0.0 0 0.0 0 0.0 10 30
300 A 301 SER S t < T + 0 0 -63.6 139.8 -179.0 176.2 32.4 109.4 297 -2.5 317 -1.9 0 0.0 0 0.0 13 42
301 A 302 THR T + 0 0 -132.1 19.8 179.4 147.9 21.2 81.5 0 0.0 314 -2.4 0 0.0 0 0.0 11 48
302 A 303 LEU L - 0 0 -56.3 149.1 179.0 -160.9 27.4 100.4 0 0.0 0 0.0 0 0.0 0 0.0 10 62
303 A 304 GLY G - 0 0 -133.9 160.1 179.6 -94.4 22.8 156.4 0 0.0 0 0.0 0 0.0 0 0.0 10 63
304 A 305 LEU L - 0 0 -71.4 149.1 -178.0 -120.9 36.3 113.0 0 0.0 306 -1.2 0 0.0 0 0.0 16 68
305 A 306 GLN Q + 0 0 -96.3 76.4 178.7 165.0 39.4 127.4 111 -1.7 307 -1.6 0 0.0 0 0.0 11 63
306 A 307 ALA A B B > C > T - 310 0 -90.2 80.5 -177.8 -147.6 32.8 130.9 310 -1.9 310 -2.5 304 -1.2 309 -2.4 17 62
307 A 308 LYS K T T 4 3 TS+ 0 0 -55.3 124.9 -179.7 17.4 77.9 105.1 305 -1.6 30 -2.3 0 0.0 0 0.0 12 54
308 A 309 GLY G T T 4 3 TS+ 0 0 97.2 -14.0 178.9 47.0 131.3 76.5 0 0.0 0 0.0 0 0.0 0 0.0 10 48
309 A 310 VAL V T T 4 < TS- 0 0 -120.7 -59.4 178.6 -28.4 124.8 49.2 306 -2.4 0 0.0 0 0.0 0 0.0 12 44
310 A 311 TYR Y B B < C T + 306 0 -168.1 124.6 -179.7 158.1 49.9 145.5 306 -2.5 306 -1.9 0 0.0 0 0.0 11 45
311 A 312 ALA A + 0 0 -136.1 28.0 179.1 114.4 47.0 92.8 0 0.0 0 0.0 0 0.0 0 0.0 10 49
312 A 313 GLY G - 0 0 -90.6 -177.0 -179.7 -88.5 68.6 105.7 0 0.0 0 0.0 0 0.0 0 0.0 10 44
313 A 314 GLY G - 0 0 -85.2 -175.8 -180.0 -132.1 33.6 98.5 0 0.0 0 0.0 0 0.0 0 0.0 10 46
314 A 315 VAL V - 0 0 -128.5 175.7 179.3 -70.6 38.1 137.8 301 -2.4 0 0.0 0 0.0 0 0.0 14 41
315 A 316 GLN Q t > T - 0 0 -70.8 141.7 -178.9 -82.1 69.7 118.1 0 0.0 318 -2.4 0 0.0 0 0.0 10 33
316 A 317 ALA A T T 3 TS+ 0 0 -44.9 135.5 179.3 8.2 113.7 93.7 0 0.0 0 0.0 0 0.0 0 0.0 10 31
317 A 318 GLY G T T 3 TS+ 0 0 72.4 -4.0 179.7 136.8 96.8 66.3 300 -1.9 0 0.0 0 0.0 0 0.0 11 35
318 A 319 GLU E e < T - 0 0 -77.0 148.9 177.7 -134.7 49.1 116.7 315 -2.4 296 -1.3 0 0.0 0 0.0 10 36
319 A 320 SER S E E A R - 0 295 -97.9 152.0 179.8 -158.6 19.9 136.3 0 0.0 0 0.0 0 0.0 0 0.0 8 44
320 A 321 GLN Q E E A R - 0 294 -137.8 139.1 179.0 -166.1 9.1 176.1 294 -3.1 294 -3.2 0 0.0 0 0.0 13 50
321 A 322 THR T E E A R - 0 293 -122.5 138.1 -179.6 -177.7 13.3 165.0 0 0.0 17 -2.3 0 0.0 0 0.0 12 52
322 A 323 GLY G E E ABR - 16 292 -139.3 152.1 179.9 -161.0 13.2 168.6 292 -2.9 292 -2.5 0 0.0 0 0.0 14 56
323 A 324 VAL V E E ABR - 15 291 -130.8 145.8 -178.7 -175.6 5.8 166.6 15 -2.9 15 -2.3 0 0.0 0 0.0 12 56
324 A 325 GLN Q E E ABR + 14 290 -145.3 120.3 179.7 172.4 5.7 164.3 290 -2.2 290 -2.9 0 0.0 0 0.0 15 58
325 A 326 VAL V E E ABR + 13 289 -132.4 124.2 -179.3 116.3 24.6 170.6 13 -2.5 13 -2.7 0 0.0 0 0.0 12 49
326 A 327 GLY G E E ABR - 12 288 -162.7 -167.4 -179.6 -86.0 53.0 153.0 288 -1.8 288 -2.3 0 0.0 0 0.0 12 50
327 A 328 ILE I E E ABR - 11 287 -122.5 134.5 177.9 -162.6 23.8 165.4 11 -2.2 11 -1.7 0 0.0 329 -0.5 11 44
328 A 329 ARG R E E ABR - 10 286 -119.7 120.9 -179.9 -176.1 10.5 167.1 286 -2.5 286 -2.3 0 0.0 0 0.0 15 51
329 A 330 HIS H E E ABR - 9 285 -122.1 121.1 179.1 -166.0 4.7 165.3 9 -3.0 9 -3.1 327 -0.5 0 0.0 10 36
330 A 331 ALA A E E AB 8 0 -102.4 149.5 179.3 999.9 999.9 140.0 284 -2.3 0 0.0 0 0.0 0 0.0 9 36
331 A 332 PHE F E E AB 7 0 -146.7 999.9 999.9 999.9 999.9 159.5 7 -2.4 7 -2.2 0 0.0 0 0.0 6 27
1e54A.pdb
1E54 OUTER MEMBRANE PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEEEEEEEEEEES TTS EEEEEE SSS EEEEEEEEEEETTEEEEEEEEEE TTTTSTT SEEEEEEEETTEEEEESSEE HHHHHH Kabs/Sand
chirality ---++--+++-----+--+-+--++-+-++++--+-+-++-----+-++-+--+++---+++--++--+-++-++---++-+-----+-+---++++++ chirality
bends S SSS SSS SSS SSSSSSS S SSS SS SSSSSS bends
turns TTTT TTTT TTTTTTTTT TTTT TTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33< >33< >33< >> 3-turns
bridge-2 BBBBBBBBBB DDDDDDDDD*D EEEEEEE FFFFF GGGG bridge-2
bridge-1 AAAAAAA CCCCCC CCCCCC AAAAAAA DDDDDDDDDD EEEEEEE FFFFF HH bridge-1
sheets AAAAAAAAAAAAAAA AAAAAA AAAAAAAAAAA AAAAAAAAAA AAAAAAAA AAAAA BB sheets
4-turns >>>><<< 4-turns
summary EEEEEEEEEEEEEEEe tTTt EEEEEEeSSS eEEEEEEEEEEETTEEEEEEEEEEetTTTTtTTt SEEEEEEEETTEEEEEeSEEhHHHHHH summary
sequence SSVTLFGIVDTNVAYVNKDAAGDSRYGLGTSGASTSRLGLRGTEDLGGGLKAGFWLEGEIFGDDGNASGFNFKRRSTVSLSGNFGEVRLGRDLVPTSQKL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand GGG TTTT SSSS SS TT SSTTTTSSEETTEEEEE BTTEEEEEEEE TT BTTBSSTT EEEEEEEEEETTEEEEEEEEEEEEEETTEEE Kabs/Sand
chirality +++-+--++-++--+++-++---+-+++-++--++----------++----------+-+--++++++-+++--+-++--++++---+---+----+-+- chirality
bends SSS SS S SSSS SS SS SSSS SSS SS SSS S SS SS S SS SSSS bends
turns TTTTTTTTT TTTT TTTTTT TTTT TTTT TTTT TTTT TTTT TTTT TTTT turns
5-turns 5-turns
3-turns ><<3< >33< >3><3< >33< >33< >33< >33< >33< >33< >33< 3-turns
bridge-2 IIIII JJJJJJJJ KKKKKKKKKK LLLLLLLLLLLLLL M bridge-2
bridge-1 HH GGGG A A IIIII B B JJJJJJJJ KKKKKKKKKK LLL bridge-1
sheets BB AAAAA AAAAAAAA AAAAAAAAAA AAAAAAAAAAAAAA AAA sheets
4-turns < 4-turns
summary hGGgTTTTtSSSS SStTTt StTTTTteEETeEEEEEe BTeEEEEEEEEetTTt BTTBStTTeEEEEEEEEEETeEEEEEEEEEEEEEETTEEE summary
sequence TSYDLFSATGIGPFMGFRNWAAGQGADDNGIRANNLISYYTPNFGGFNAGFGYAFDEKQTIGTADSVGRYIGGYVAYDNGPLSASLGLAQQKTAVGGLAT sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EEEEEEEEEEEE SS EEEEEEEEEEEEETTS EEEEEEEEEEEEEE SSSEEEEEEEEEEEEGGGTEEEEEEEEEEEEESSSSEEEEEEEEEEEE TT Kabs/Sand
chirality ------++---+-+---++--+-------+-+---+---+++------+-+----+-------++-+-------+----+--+++-----+------+++ chirality
bends SS SSS SSS SSS SSSS SS bends
turns TTTT TTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >>3<< >33< 3-turns
bridge-2 MMMMMMMMMMMM NNNNNNNNNNNN OOOOOOOOOOO PPPPPPPPPPPP QQQQQQQQQQQ RRRRRRRRRRR bridge-2
bridge-1 LLLLLLLLLLL MMMMMMMMMMMMM NNNNNNNNNNNN OOOOOOOOOOO PPPPPPPPPPPP QQQQQQQQQQQ bridge-1
sheets AAAAAAAAAAAA AAAAAAAAAAAAA AAAAAAAAAAAAAA AAAAAAAAAAAA AAAAAAAAAAAAA AAAAAAAAAAAA sheets
4-turns 4-turns
summary EEEEEEEEEEEEeSSeEEEEEEEEEEEEEeTteEEEEEEEEEEEEEEeSSeEEEEEEEEEEEEeGGgEEEEEEEEEEEEEeSSeEEEEEEEEEEEEeTTt summary
sequence DRDEITLGASYNFGVAKLSGLLQQTKFKRDIGGDIKTNSYMLGASAPVGGVGEVKLQYALYDQKAIDSKAHQITLGYVHNLSKRTALYGNLAFLKNKDAS sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand BTTTB TT EEEEEEEEEEEEE Kabs/Sand
chirality +---+-++-++----++------++---- chirality
bends SSS SS bends
turns TTTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< 3-turns
bridge-2 RRRRRRRRRRR bridge-2
bridge-1 C C BBBBBBBBBB bridge-1
sheets AAAAAAAAAAAAA sheets
4-turns >444< 4-turns
summary BTTTB tTTeEEEEEEEEEEEEE summary
sequence TLGLQAKGVYAGGVQAGESQTGVQVGIRHAF sequence
310 320 330