Secondary structure calculation program - copyright by David Keith Smith, 1989
1e5mA.pdb
1E5M CONDENSING ENZYME MOL_ID: 1; MOL_ID: 1;
Sequence length - 411
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 6 LYS K 0 0 999.9 136.9 178.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 27
2 A 7 LYS K - 0 0 -75.5 149.4 178.0 -115.6 999.9 118.1 177 -2.6 0 0.0 0 0.0 0 0.0 9 33
3 A 8 ARG R e - 0 0 -85.1 145.7 -177.5 -150.1 28.4 129.9 0 0.0 242 -2.5 0 0.0 0 0.0 11 47
4 A 9 VAL V E E AAB - 256 241 -125.0 123.9 179.1 -173.4 12.7 166.0 256 -0.6 256 -2.3 0 0.0 0 0.0 14 57
5 A 10 VAL V E E AAB - 255 240 -113.5 155.6 179.0 -120.2 28.0 143.3 240 -2.7 240 -2.6 0 0.0 7 -0.7 15 68
6 A 11 VAL V E E AAB + 254 239 -95.2 116.0 -176.1 167.3 36.4 149.4 254 -2.6 253 -2.8 0 0.0 254 -0.7 15 78
7 A 12 THR T E E A * + 0 0 -111.3 -2.1 -179.9 25.1 57.7 65.0 238 -2.3 0 0.0 5 -0.7 0 0.0 16 64
8 A 13 GLY G E E A B - 0 238 -162.4 148.9 -179.6 -165.2 55.9 167.5 238 -0.7 238 -2.1 0 0.0 0 0.0 15 66
9 A 14 LEU L E E A B + 0 237 -139.7 145.4 178.9 178.5 6.1 173.1 0 0.0 0 0.0 0 0.0 0 0.0 16 72
10 A 15 GLY G E E A B + 0 236 -143.6 148.9 -179.7 176.5 6.4 171.6 236 -2.2 236 -2.7 0 0.0 0 0.0 16 68
11 A 16 ALA A E E A B - 0 235 -160.9 139.2 176.4 -175.0 22.0 163.5 0 0.0 0 0.0 0 0.0 0 0.0 18 74
12 A 17 ILE I E E A B + 0 234 -131.1 112.9 -175.6 153.8 36.6 167.1 234 -2.4 234 -2.3 0 0.0 0 0.0 15 71
13 A 18 THR T B B A > T - 16 0 -138.8 172.3 179.5 -95.6 60.2 148.1 16 -3.0 16 -1.5 0 0.0 0 0.0 16 77
14 A 19 PRO P T T 3 TS+ 0 0 -65.4 -10.7 179.7 41.0 125.4 52.7 0 0.0 0 0.0 0 0.0 0 0.0 16 70
15 A 20 ILE I T T 3 TS+ 0 0 -121.6 14.8 -179.8 2.2 129.4 77.5 0 0.0 0 0.0 0 0.0 0 0.0 14 56
16 A 21 GLY G B B A < T - 13 0 165.1 135.5 -178.2 -144.8 48.8 129.7 13 -1.5 13 -3.0 0 0.0 0 0.0 14 51
17 A 22 ASN N S S S+ 0 0 -97.6 8.7 178.2 45.5 85.8 73.6 0 0.0 0 0.0 0 0.0 0 0.0 13 55
18 A 23 THR T S h > TS- 0 0 -141.9 165.1 179.0 -104.8 91.0 157.5 0 0.0 22 -2.8 0 0.0 0 0.0 12 51
19 A 24 LEU L H H > TS+ 0 0 -55.9 -49.9 -179.4 47.3 121.9 19.2 0 0.0 23 -2.7 0 0.0 0 0.0 12 56
20 A 25 GLN Q H H > TS+ 0 0 -59.4 -46.7 -179.8 44.6 114.6 24.8 0 0.0 24 -2.4 0 0.0 0 0.0 7 39
21 A 26 ASP D H H > TS+ 0 0 -67.4 -38.1 179.4 51.0 113.7 28.6 0 0.0 25 -2.2 0 0.0 0 0.0 10 41
22 A 27 TYR Y H H X TS+ 0 0 -64.7 -47.5 -179.5 43.9 113.4 19.7 18 -2.8 26 -2.4 0 0.0 0 0.0 14 62
23 A 28 TRP W H H X TS+ 0 0 -66.1 -41.4 179.3 50.2 113.5 24.9 19 -2.7 27 -2.6 0 0.0 0 0.0 11 56
24 A 29 A GLN Q H H X TS+ 0 0 -62.7 -39.3 179.2 51.7 110.6 25.0 20 -2.4 28 -1.5 0 0.0 0 0.0 8 41
25 A 30 GLY G H H < >TS+ 0 0 -62.0 -45.6 179.2 48.1 109.9 21.7 21 -2.2 30 -3.0 0 0.0 0 0.0 11 48
26 A 31 LEU L H H < >5TS+ 0 0 -61.1 -42.1 -179.3 51.8 110.6 24.3 22 -2.4 29 -1.1 0 0.0 0 0.0 14 58
27 A 32 MET M H H < 35TS+ 0 0 -66.9 -24.5 -179.9 43.9 113.9 40.1 23 -2.6 383 -0.7 0 0.0 0 0.0 12 48
28 A 33 GLU E T h < 35TS- 0 0 -100.9 5.1 -179.2 -116.8 111.9 70.8 24 -1.5 0 0.0 0 0.0 0 0.0 8 35
29 A 34 GLY G T T <5T - 0 0 61.7 34.9 -179.7 -169.2 44.8 30.8 26 -1.1 0 0.0 0 0.0 0 0.0 14 46
30 A 35 ARG R t T + 0 0 -96.8 20.0 -179.4 117.0 40.6 82.3 39 -1.0 44 -2.0 0 0.0 0 0.0 10 35
42 A 47 A SER S T T 3 TS+ 0 0 -57.0 -31.0 -179.7 45.9 79.9 36.9 0 0.0 0 0.0 0 0.0 0 0.0 5 25
43 A 48 ASP D T T 3 TS+ 0 0 -97.5 12.6 -179.7 101.1 95.9 75.2 0 0.0 0 0.0 0 0.0 0 0.0 5 25
44 A 49 GLN Q S t < TS- 0 0 -98.1 154.9 178.9 -134.2 72.5 129.9 41 -2.0 0 0.0 0 0.0 0 0.0 10 37
45 A 50 ALA A S S S+ 0 0 -74.3 -29.5 177.8 41.7 103.4 38.8 0 0.0 0 0.0 0 0.0 0 0.0 7 40
46 A 51 CYS C + 0 0 -119.7 125.1 -177.0 176.1 65.6 171.5 0 0.0 0 0.0 0 0.0 0 0.0 12 53
47 A 52 ARG R e + 0 0 -120.4 26.7 179.8 61.1 55.6 86.7 0 0.0 36 -2.1 0 0.0 0 0.0 11 50
48 A 53 PHE F E E BC + 35 0 -144.8 167.0 -180.0 142.8 49.4 157.6 0 0.0 0 0.0 0 0.0 0 0.0 11 58
49 A 54 GLY G E E BC - 34 0 178.1 -175.2 179.7 -70.0 54.0 167.8 34 -2.5 34 -2.3 0 0.0 51 -0.9 14 68
50 A 55 GLY G E E BCb - 33 231 -104.9 96.0 -179.5 -179.4 52.4 145.0 230 -3.3 232 -1.6 0 0.0 0 0.0 14 70
51 A 56 GLU E e - 0 0 -95.0 151.9 176.6 -114.7 33.0 129.7 49 -0.9 0 0.0 32 -0.5 0 0.0 15 62
52 A 57 VAL V - 0 0 -81.4 129.0 -178.4 -156.7 41.4 137.6 0 0.0 0 0.0 0 0.0 0 0.0 14 61
53 A 58 A LYS K + 0 0 -113.2 152.8 179.8 11.3 59.1 143.8 0 0.0 0 0.0 0 0.0 0 0.0 6 42
54 A 59 ASP D S S S+ 0 0 52.3 42.8 179.5 144.2 84.6 30.5 0 0.0 0 0.0 0 0.0 0 0.0 4 29
55 A 60 PHE F - 0 0 -116.3 124.2 179.4 -178.4 27.2 163.0 0 0.0 57 -0.5 0 0.0 0 0.0 6 41
56 A 61 ASP D g > T - 0 0 -123.9 103.6 -178.8 -162.8 12.7 157.0 0 0.0 59 -2.2 0 0.0 0 0.0 6 35
57 A 62 ALA A G G > > TS+ 0 0 -54.0 -32.8 -178.9 66.8 87.4 36.8 55 -0.5 61 -1.9 0 0.0 60 -1.8 10 42
58 A 63 THR T G G 4 3 TS+ 0 0 -68.2 -8.1 179.0 70.4 86.4 54.7 0 0.0 0 0.0 0 0.0 0 0.0 8 27
59 A 64 GLN Q G G 4 < TS+ 0 0 -77.8 -21.3 -177.9 20.6 117.4 42.4 56 -2.2 0 0.0 0 0.0 0 0.0 5 25
60 A 65 PHE F T g 4 < TS+ 0 0 -121.4 -14.5 -178.6 62.0 120.3 57.7 57 -1.8 0 0.0 0 0.0 0 0.0 7 37
61 A 66 LEU L S t < TS- 0 0 -121.6 152.7 177.2 -97.3 87.7 151.1 57 -1.9 0 0.0 0 0.0 0 0.0 9 34
62 A 67 ASP D h > T - 0 0 -58.0 137.9 -178.3 -123.3 41.4 111.4 0 0.0 66 -2.8 0 0.0 0 0.0 7 25
63 A 68 ARG R H H > TS+ 0 0 -55.2 -50.9 -179.4 45.4 107.7 23.1 0 0.0 67 -2.2 0 0.0 0 0.0 7 21
64 A 69 LYS K H H > TS+ 0 0 -62.2 -40.5 179.1 48.8 114.8 25.2 0 0.0 68 -1.2 0 0.0 0 0.0 6 21
65 A 70 GLU E H H 4 TS+ 0 0 -64.1 -44.7 179.8 50.2 110.8 22.1 0 0.0 0 0.0 0 0.0 0 0.0 8 34
66 A 71 ALA A H H < > TS+ 0 0 -60.6 -39.1 -179.7 53.5 108.2 28.0 62 -2.8 69 -1.2 0 0.0 0 0.0 12 38
67 A 72 LYS K H H < 3 TS+ 0 0 -66.9 -27.5 -179.7 56.2 105.3 37.5 63 -2.2 0 0.0 0 0.0 0 0.0 7 33
68 A 73 ARG R T h < 3 TS+ 0 0 -95.4 27.6 177.5 62.6 102.8 89.2 64 -1.2 0 0.0 0 0.0 0 0.0 8 36
69 A 74 MET M S t < TS- 0 0 -149.0 152.5 -179.5 -113.4 78.7 173.7 66 -1.2 0 0.0 0 0.0 0 0.0 10 52
70 A 75 ASP D h > > T - 0 0 -82.2 165.1 -179.5 -100.9 37.1 111.1 0 0.0 74 -1.9 0 0.0 73 -1.3 13 59
71 A 76 ARG R H H > 3 TS+ 0 0 -54.0 -37.6 -179.3 61.0 120.1 34.0 0 0.0 75 -2.5 0 0.0 0 0.0 8 71
72 A 77 PHE F H H > 3 TS+ 0 0 -63.6 -27.3 178.0 43.9 109.5 32.4 0 0.0 76 -1.6 0 0.0 0 0.0 14 76
73 A 78 CYS C H H > < TS+ 0 0 -83.0 -34.6 176.9 59.4 106.5 32.8 70 -1.3 77 -3.0 0 0.0 0 0.0 13 79
74 A 79 HIS H H H X TS+ 0 0 -55.2 -48.1 -179.4 45.1 110.0 17.7 70 -1.9 78 -2.3 0 0.0 0 0.0 11 73
75 A 80 PHE F H H X TS+ 0 0 -61.3 -48.9 -178.9 47.6 114.1 20.7 71 -2.5 79 -2.7 0 0.0 0 0.0 14 83
76 A 81 ALA A H H X TS+ 0 0 -60.0 -50.0 -179.1 43.5 115.2 21.1 72 -1.6 80 -1.9 0 0.0 0 0.0 17 89
77 A 82 VAL V H H X TS+ 0 0 -64.3 -46.4 -179.3 44.8 117.5 20.2 73 -3.0 81 -2.2 0 0.0 0 0.0 12 76
78 A 83 CYS C H H X TS+ 0 0 -66.9 -38.9 178.9 48.3 114.0 27.0 74 -2.3 82 -2.0 0 0.0 0 0.0 11 70
79 A 84 ALA A H H X TS+ 0 0 -69.0 -31.8 179.1 52.3 111.4 32.0 75 -2.7 83 -2.0 0 0.0 0 0.0 15 75
80 A 85 SER S H H X TS+ 0 0 -70.0 -38.9 178.0 52.2 106.2 27.4 76 -1.9 84 -2.5 0 0.0 0 0.0 14 76
81 A 86 GLN Q H H X TS+ 0 0 -60.8 -43.2 179.0 52.7 108.8 22.4 77 -2.2 85 -2.6 0 0.0 0 0.0 10 61
82 A 87 GLN Q H H X TS+ 0 0 -56.0 -48.9 -178.8 47.8 109.5 21.9 78 -2.0 86 -2.6 0 0.0 0 0.0 13 60
83 A 88 ALA A H H X TS+ 0 0 -61.7 -42.8 179.6 48.7 112.0 26.8 79 -2.0 87 -2.2 0 0.0 0 0.0 16 67
84 A 89 ILE I H H X >TS+ 0 0 -64.9 -41.9 179.4 46.2 113.9 25.0 80 -2.5 89 -1.7 0 0.0 88 -1.1 14 57
85 A 90 ASN N H H < 5TS+ 0 0 -66.8 -40.6 179.4 52.0 111.4 26.0 81 -2.6 0 0.0 0 0.0 0 0.0 9 38
86 A 91 ASP D H H < 5TS+ 0 0 -61.5 -40.0 -179.1 44.2 113.8 26.2 82 -2.6 0 0.0 0 0.0 0 0.0 11 44
87 A 92 ALA A H H < 5TS- 0 0 -79.1 -16.8 -178.0 -136.5 100.8 48.2 83 -2.2 0 0.0 0 0.0 0 0.0 12 50
88 A 93 LYS K T h < 5T + 0 0 61.7 30.5 -179.9 165.4 44.7 35.3 84 -1.1 90 -0.6 0 0.0 0 0.0 7 37
89 A 94 LEU L t > T - 0 0 -137.9 -178.1 -178.7 -76.4 65.3 142.6 90 -0.6 96 -2.1 0 0.0 95 -1.4 7 23
93 A 98 A GLU E T T 4 3 TS+ 0 0 -53.2 -29.8 -178.2 61.2 123.8 38.3 0 0.0 0 0.0 0 0.0 0 0.0 6 19
94 A 99 LEU L T T 4 3 TS+ 0 0 -72.9 -27.0 179.8 15.9 121.9 40.4 0 0.0 0 0.0 0 0.0 0 0.0 6 20
95 A 100 ASN N T g 4 X TS+ 0 0 -126.4 1.4 -178.7 102.1 94.1 66.4 92 -1.4 98 -1.7 0 0.0 0 0.0 8 34
96 A 101 ALA A G G < > TS+ 0 0 -55.2 -38.5 -178.7 58.0 78.7 32.0 92 -2.1 152 -2.1 0 0.0 99 -1.4 12 32
97 A 102 ASP D G G 3 TS+ 0 0 -69.1 -15.4 -179.0 50.6 105.3 48.3 0 0.0 0 0.0 0 0.0 0 0.0 10 31
98 A 103 GLU E G e < TS+ 0 0 -105.0 9.8 -179.8 78.5 97.2 74.0 95 -1.7 182 -3.0 0 0.0 183 -1.6 12 43
99 A 104 ILE I E E Ad < T + 183 0 -123.7 118.1 -178.9 175.0 60.1 165.6 96 -1.4 153 -2.9 0 0.0 0 0.0 16 62
100 A 105 GLY G E E Ad - 184 0 -114.0 -175.7 -178.8 -127.4 23.2 119.3 183 -2.0 185 -2.6 0 0.0 0 0.0 15 65
101 A 106 VAL V E E Ade + 185 155 -136.2 136.0 178.5 173.8 19.3 175.7 154 -1.9 156 -1.8 0 0.0 0 0.0 17 76
102 A 107 LEU L E E Ade + 186 156 -145.3 93.4 -179.2 163.3 13.0 139.5 185 -2.8 187 -1.8 0 0.0 104 -0.5 18 74
103 A 108 ILE I E E Ad - 187 0 -117.5 121.2 -179.9 -159.6 17.9 163.1 156 -0.9 0 0.0 0 0.0 0 0.0 19 86
104 A 109 GLY G E E Ad + 188 0 -96.1 166.1 178.1 179.3 10.5 120.5 187 -2.8 189 -2.0 102 -0.5 0 0.0 22 77
105 A 110 THR T - 0 0 -156.7 157.5 179.8 -142.1 25.5 164.4 158 -1.1 0 0.0 0 0.0 0 0.0 19 78
106 A 111 GLY G S S S+ 0 0 -93.8 -40.0 -177.8 3.1 95.7 31.6 0 0.0 0 0.0 0 0.0 0 0.0 15 68
107 A 112 ILE I S S S- 0 0 -122.3 -20.2 178.9 -165.9 82.4 53.2 0 0.0 0 0.0 0 0.0 0 0.0 11 63
108 A 113 GLY G + 0 0 70.6 -143.0 -177.6 2.7 64.5 111.7 0 0.0 110 -1.8 0 0.0 0 0.0 12 62
109 A 114 GLY G S h > TS+ 0 0 -83.0 63.5 -179.5 148.1 70.5 111.5 136 -2.3 113 -1.6 0 0.0 0 0.0 15 59
110 A 115 LEU L H H > T + 0 0 -62.0 -38.7 179.7 61.9 69.3 28.9 108 -1.8 114 -2.7 0 0.0 0 0.0 11 50
111 A 116 LYS K H H > TS+ 0 0 -53.5 -45.8 179.8 48.0 104.2 25.3 0 0.0 115 -2.7 0 0.0 0 0.0 10 48
112 A 117 VAL V H H > TS+ 0 0 -62.2 -42.9 -180.0 52.6 110.3 23.8 0 0.0 116 -2.7 0 0.0 0 0.0 11 45
113 A 118 LEU L H H X TS+ 0 0 -58.7 -45.7 -179.3 44.2 112.7 24.1 109 -1.6 117 -2.1 0 0.0 0 0.0 10 39
114 A 119 GLU E H H X TS+ 0 0 -67.9 -45.7 179.7 48.0 114.3 23.2 110 -2.7 118 -2.0 0 0.0 0 0.0 9 38
115 A 120 ASP D H H X TS+ 0 0 -62.3 -42.2 -178.8 44.8 116.1 24.9 111 -2.7 119 -1.6 0 0.0 0 0.0 8 37
116 A 121 GLN Q H H X TS+ 0 0 -73.2 -33.9 178.9 51.6 110.7 33.6 112 -2.7 120 -2.7 0 0.0 0 0.0 11 33
117 A 122 GLN Q H H X TS+ 0 0 -69.2 -36.6 179.0 52.8 109.1 27.9 113 -2.1 121 -2.5 0 0.0 0 0.0 8 29
118 A 123 THR T H H X TS+ 0 0 -63.0 -41.5 179.3 46.4 111.3 25.4 114 -2.0 122 -1.8 0 0.0 0 0.0 8 23
119 A 124 ILE I H H X >TS+ 0 0 -66.6 -45.4 -179.8 53.0 110.2 21.6 115 -1.6 123 -3.9 0 0.0 124 -1.1 12 21
120 A 125 LEU L H H X 5TS+ 0 0 -56.2 -46.4 -179.6 44.3 112.5 23.1 116 -2.7 124 -1.0 0 0.0 0 0.0 12 19
121 A 126 LEU L H H < 5TS+ 0 0 -68.5 -32.7 -178.1 35.6 123.7 34.5 117 -2.5 0 0.0 0 0.0 0 0.0 8 16
122 A 127 ASP D H H < 5TS+ 0 0 -91.9 -37.3 -178.5 14.5 136.0 32.8 118 -1.8 0 0.0 0 0.0 0 0.0 6 15
123 A 128 LYS K H H < 5TS- 0 0 -114.9 -16.0 -179.4 -106.2 107.4 54.4 119 -3.9 0 0.0 0 0.0 0 0.0 8 15
124 A 129 GLY G h < > TS+ 0 0 -56.7 -29.1 -179.3 68.3 123.0 39.5 0 0.0 128 -1.4 0 0.0 0 0.0 8 20
126 A 131 SER S G G 3 TS+ 0 0 -64.9 -21.4 -179.1 55.8 95.8 43.1 0 0.0 0 0.0 0 0.0 0 0.0 6 16
127 A 132 ARG R G G < TS+ 0 0 -90.9 -2.3 179.6 115.1 80.5 61.7 124 -1.7 0 0.0 0 0.0 0 0.0 8 20
128 A 133 CYS C S g < TS- 0 0 -69.0 146.5 -179.1 -94.3 77.7 112.3 125 -1.4 0 0.0 0 0.0 0 0.0 10 25
129 A 134 SER S t > T - 0 0 -63.2 138.3 179.6 -138.6 17.7 107.5 0 0.0 132 -1.6 0 0.0 0 0.0 6 31
130 A 135 PRO P T T 3 TS+ 0 0 -71.3 -9.8 -179.1 56.7 106.4 50.5 0 0.0 0 0.0 0 0.0 0 0.0 5 24
131 A 136 PHE F T h > 3 TS+ 0 0 -102.8 8.2 -179.6 105.4 74.6 72.8 0 0.0 135 -0.6 0 0.0 0 0.0 7 33
132 A 137 MET M H H > X TS+ 0 0 -52.1 -57.5 -177.9 42.9 81.6 19.8 129 -1.6 136 -1.6 0 0.0 135 -1.0 11 34
133 A 138 ILE I H H > 3 TS+ 0 0 -59.8 -52.5 -179.9 48.9 113.2 20.6 0 0.0 137 -2.1 0 0.0 0 0.0 7 33
134 A 139 PRO P H H 4 3 TS+ 0 0 -70.2 1.3 178.5 42.4 118.4 61.7 0 0.0 0 0.0 0 0.0 0 0.0 8 35
135 A 140 MET M H H < < TS+ 0 0 -114.3 -21.0 -176.8 45.2 117.3 53.7 132 -1.0 0 0.0 131 -0.6 0 0.0 12 46
136 A 141 A MET M H H < TS+ 0 0 -92.8 -44.4 -178.2 95.8 84.1 29.6 132 -1.6 109 -2.3 0 0.0 0 0.0 14 47
137 A 142 ILE I S h < > TS- 0 0 -59.0 138.5 -176.9 -124.8 74.3 101.9 133 -2.1 140 -1.9 0 0.0 0 0.0 9 46
138 A 143 ALA A T T > TS+ 0 0 -51.5 -38.8 -178.5 61.6 104.0 39.3 0 0.0 141 -1.2 0 0.0 0 0.0 13 56
139 A 144 ASN N T h > 3 TS+ 0 0 -72.2 -3.3 -179.9 88.7 79.0 59.7 0 0.0 143 -2.5 0 0.0 0 0.0 10 55
140 A 145 MET M H H > < TS+ 0 0 -65.7 -27.3 178.9 60.9 80.0 36.4 137 -1.9 144 -3.0 0 0.0 0 0.0 11 59
141 A 146 ALA A H H > < TS+ 0 0 -63.3 -49.9 179.1 38.4 111.1 15.3 138 -1.2 145 -1.9 0 0.0 0 0.0 14 72
142 A 147 SER S H H > TS+ 0 0 -65.0 -44.0 -178.8 49.3 118.9 23.1 0 0.0 146 -2.3 0 0.0 0 0.0 15 71
143 A 148 GLY G H H X TS+ 0 0 -62.9 -47.3 -179.8 43.5 113.5 22.6 139 -2.5 147 -2.0 0 0.0 0 0.0 10 55
144 A 149 LEU L H H X TS+ 0 0 -68.5 -34.5 178.7 53.8 112.6 31.0 140 -3.0 148 -2.4 0 0.0 0 0.0 10 60
145 A 150 THR T H H X TS+ 0 0 -65.6 -42.2 179.3 50.1 108.1 22.6 141 -1.9 149 -2.6 0 0.0 0 0.0 13 67
146 A 151 ALA A H H X >TS+ 0 0 -61.6 -44.4 179.5 47.7 112.0 23.3 142 -2.3 150 -2.3 0 0.0 151 -1.3 13 55
147 A 152 ILE I H H < 5TS+ 0 0 -63.0 -42.8 -179.2 48.5 113.1 23.1 143 -2.0 0 0.0 0 0.0 0 0.0 8 43
148 A 153 ASN N H H < 5TS+ 0 0 -64.9 -40.7 -178.0 32.4 122.6 26.5 144 -2.4 0 0.0 0 0.0 0 0.0 7 49
149 A 154 LEU L H H < 5TS- 0 0 -93.3 -14.9 -179.6 -120.0 105.4 52.1 145 -2.6 0 0.0 0 0.0 0 0.0 8 56
150 A 155 GLY G T h < 5T + 0 0 81.3 24.2 -179.8 161.9 52.1 42.4 146 -2.3 152 -0.6 0 0.0 0 0.0 9 36
151 A 156 ALA A t T - 0 0 -133.4 45.1 179.0 -122.0 59.2 105.2 158 -0.6 163 -2.3 0 0.0 0 0.0 15 52
161 A 166 ALA A G G > TS+ 0 0 53.5 -127.5 -178.9 7.4 92.8 104.1 0 0.0 164 -2.1 0 0.0 0 0.0 13 62
162 A 167 CYS C G G 3 TS+ 0 0 -57.8 -19.2 -178.6 50.7 137.1 48.4 0 0.0 0 0.0 0 0.0 0 0.0 16 80
163 A 168 ALA A G h > < TS+ 0 0 -100.7 1.5 -177.1 104.2 77.2 65.0 160 -2.3 167 -3.1 0 0.0 0 0.0 19 73
164 A 169 ALA A H H > < TS+ 0 0 -50.6 -48.6 -179.4 43.4 84.3 28.7 161 -2.1 168 -1.9 0 0.0 0 0.0 18 72
165 A 170 GLY G H H > TS+ 0 0 -68.9 -33.6 180.0 49.1 115.2 33.0 342 -0.7 169 -1.9 0 0.0 0 0.0 20 86
166 A 171 SER S H H > TS+ 0 0 -73.3 -41.0 177.8 47.9 111.6 26.1 0 0.0 170 -2.6 0 0.0 0 0.0 17 83
167 A 172 ASN N H H X TS+ 0 0 -65.7 -34.9 -179.6 54.0 110.5 29.4 163 -3.1 171 -2.9 0 0.0 0 0.0 12 71
168 A 173 ALA A H H X TS+ 0 0 -64.4 -46.4 -179.9 42.3 112.2 20.0 164 -1.9 172 -2.1 0 0.0 0 0.0 16 76
169 A 174 ILE I H H X TS+ 0 0 -67.1 -40.1 178.9 50.6 115.5 26.0 165 -1.9 173 -2.2 0 0.0 0 0.0 14 85
170 A 175 GLY G H H X TS+ 0 0 -64.1 -44.9 179.5 45.9 112.0 23.2 166 -2.6 174 -1.8 0 0.0 0 0.0 11 85
171 A 176 ASP D H H X TS+ 0 0 -66.4 -35.8 178.9 51.1 112.3 28.8 167 -2.9 175 -1.7 0 0.0 0 0.0 9 63
172 A 177 ALA A H H X TS+ 0 0 -65.9 -38.6 178.6 56.8 106.0 27.6 168 -2.1 176 -1.9 0 0.0 0 0.0 14 67
173 A 178 PHE F H H X TS+ 0 0 -57.4 -45.0 179.2 49.6 106.1 24.5 169 -2.2 177 -2.8 0 0.0 0 0.0 12 71
174 A 179 ARG R H H X TS+ 0 0 -63.5 -39.4 -179.9 56.8 105.7 27.7 170 -1.8 178 -2.7 0 0.0 0 0.0 8 57
175 A 180 LEU L H H < >TS+ 0 0 -59.3 -42.3 179.9 40.7 112.6 24.0 171 -1.7 180 -2.5 0 0.0 181 -0.9 10 49
176 A 181 VAL V H H < >5TS+ 0 0 -73.0 -43.2 178.7 53.2 113.7 22.5 172 -1.9 179 -1.4 0 0.0 0 0.0 18 49
177 A 182 GLN Q H H < 35TS+ 0 0 -56.4 -40.8 -177.5 44.0 113.6 28.1 173 -2.8 2 -2.6 0 0.0 0 0.0 12 40
178 A 183 ASN N T h < 35TS- 0 0 -89.8 6.2 177.8 -111.5 116.4 70.6 174 -2.7 0 0.0 0 0.0 0 0.0 9 33
179 A 184 GLY G T T <5TS+ 0 0 77.1 15.7 179.9 122.0 82.0 51.1 176 -1.4 0 0.0 0 0.0 0 0.0 9 32
180 A 185 TYR Y S t TS- 0 0 -134.9 166.1 180.0 -102.5 75.9 152.1 192 -1.7 198 -2.4 0 0.0 0 0.0 10 56
195 A 200 PRO P H H > TS+ 0 0 -58.2 -43.3 -178.7 44.8 119.8 25.9 0 0.0 199 -2.1 0 0.0 0 0.0 9 43
196 A 201 LEU L H H > TS+ 0 0 -70.5 -39.7 179.5 49.9 112.8 26.9 0 0.0 200 -2.5 0 0.0 0 0.0 7 39
197 A 202 A SER S H H > TS+ 0 0 -63.4 -46.0 179.6 44.6 114.7 22.2 0 0.0 201 -2.6 0 0.0 0 0.0 10 54
198 A 203 TYR Y H H X TS+ 0 0 -66.3 -38.1 179.4 53.4 111.9 28.7 194 -2.4 202 -2.2 0 0.0 0 0.0 11 51
199 A 204 ALA A H H X TS+ 0 0 -62.8 -43.3 -179.4 44.6 112.7 22.2 195 -2.1 203 -2.2 0 0.0 0 0.0 10 36
200 A 205 GLY G H H X TS+ 0 0 -68.7 -45.6 179.7 42.3 116.6 24.8 196 -2.5 204 -1.5 0 0.0 0 0.0 8 36
201 A 206 PHE F H H < >TS+ 0 0 -72.2 -30.3 179.0 49.4 116.9 34.1 197 -2.6 206 -2.5 0 0.0 207 -0.9 10 46
202 A 207 ALA A H H < >5TS+ 0 0 -73.6 -40.2 180.0 52.5 108.3 26.1 198 -2.2 205 -1.6 0 0.0 0 0.0 12 34
203 A 208 SER S H H < 35TS+ 0 0 -62.5 -34.7 179.6 53.0 107.1 30.2 199 -2.2 0 0.0 0 0.0 0 0.0 7 25
204 A 209 ALA A T h < 35TS- 0 0 -78.1 -1.6 -180.0 -125.9 112.5 62.1 200 -1.5 0 0.0 0 0.0 0 0.0 7 28
205 A 210 ARG R T T <5TS+ 0 0 60.2 30.7 -179.0 126.0 75.1 36.5 202 -1.6 0 0.0 0 0.0 0 0.0 8 32
206 A 211 ALA A t T + 0 0 -81.0 60.8 -179.1 152.2 21.2 110.9 0 0.0 213 -1.6 0 0.0 0 0.0 9 41
211 A 216 ASN N T T 3 T + 0 0 -63.2 -23.2 -179.3 62.4 65.6 43.6 209 -2.2 0 0.0 0 0.0 0 0.0 9 36
212 A 217 ASP D T T 3 TS+ 0 0 -78.8 -13.1 -178.8 22.8 119.4 52.4 0 0.0 0 0.0 0 0.0 0 0.0 4 24
213 A 218 ASP D g X T + 0 0 -152.3 63.2 -179.6 162.9 67.6 111.9 210 -1.6 216 -1.7 0 0.0 0 0.0 7 32
214 A 219 PRO P G G > > TS+ 0 0 -54.2 -36.2 -179.3 66.5 72.4 34.8 0 0.0 217 -1.6 0 0.0 218 -0.5 13 48
215 A 220 LEU L G G 4 3 TS+ 0 0 -60.4 -23.5 -179.5 34.6 111.3 42.5 0 0.0 0 0.0 0 0.0 0 0.0 8 48
216 A 221 HIS H G G 4 < TS+ 0 0 -120.0 23.8 179.6 98.7 89.2 85.1 213 -1.7 0 0.0 0 0.0 0 0.0 7 55
217 A 222 ALA A T g 4 < TS+ 0 0 -75.0 -46.4 179.9 66.2 71.7 23.2 214 -1.6 219 -1.0 0 0.0 0 0.0 13 56
218 A 223 SER S t < T + 0 0 -81.4 102.9 -178.3 150.6 61.6 133.4 214 -0.5 0 0.0 0 0.0 0 0.0 18 69
219 A 224 ARG R t > T - 0 0 -136.9 72.6 -179.9 -155.5 31.1 125.4 217 -1.0 222 -2.1 0 0.0 0 0.0 14 67
220 A 225 PRO P T T 3 TS+ 0 0 -51.2 135.6 178.4 4.9 78.9 100.1 0 0.0 0 0.0 0 0.0 0 0.0 16 71
221 A 226 PHE F T T 3 TS+ 0 0 71.4 -4.6 179.9 133.2 96.1 70.0 0 0.0 371 -1.3 0 0.0 0 0.0 13 60
222 A 227 ASP D B B D X T - 370 0 -78.8 141.8 -178.6 -127.6 64.1 123.1 219 -2.1 225 -1.9 0 0.0 0 0.0 14 54
223 A 228 LYS K T T 3 TS+ 0 0 -60.1 -24.4 -179.2 52.3 108.1 41.7 369 -3.9 0 0.0 0 0.0 0 0.0 7 40
224 A 229 ASP D T T 3 TS+ 0 0 -98.2 13.8 179.0 131.7 77.0 75.6 0 0.0 0 0.0 0 0.0 0 0.0 6 40
225 A 230 ARG R t < T - 0 0 -63.6 148.0 -178.4 -179.3 29.9 109.2 222 -1.9 0 0.0 0 0.0 0 0.0 14 50
226 A 231 ASP D - 0 0 -143.3 35.2 179.6 -39.8 54.1 90.1 0 0.0 0 0.0 0 0.0 0 0.0 12 51
227 A 232 GLY G S S S- 0 0 126.4 163.1 -179.2 -63.8 74.0 119.6 305 -2.0 0 0.0 0 0.0 0 0.0 14 58
228 A 233 PHE F B B c - 207 0 -83.7 162.4 179.6 -133.1 36.4 112.4 206 -2.0 208 -2.1 0 0.0 230 -0.6 13 80
229 A 234 VAL V - 0 0 -115.6 116.5 -178.2 -127.5 27.0 166.1 0 0.0 339 -3.7 0 0.0 0 0.0 15 81
230 A 235 MET M B B e + 339 0 -68.5 143.4 178.1 176.5 30.6 109.2 228 -0.6 50 -3.3 0 0.0 0 0.0 12 85
231 A 236 GLY G B B b - 50 0 -134.6 173.2 179.2 -140.8 15.9 145.3 339 -2.3 0 0.0 0 0.0 0 0.0 17 83
232 A 237 GLU E + 0 0 -136.1 159.6 179.6 83.5 42.9 158.6 50 -1.6 0 0.0 0 0.0 0 0.0 18 82
233 A 238 GLY G E E A F - 0 190 143.4 -171.2 -179.5 -94.7 55.7 154.4 190 -2.7 190 -1.8 0 0.0 0 0.0 18 82
234 A 239 SER S E E ABF - 12 189 -149.7 146.0 178.1 -163.3 14.4 177.0 12 -2.3 12 -2.4 0 0.0 0 0.0 19 90
235 A 240 GLY G E E ABF - 11 188 -130.7 129.3 -177.8 -172.3 16.7 178.7 188 -1.8 188 -1.8 0 0.0 0 0.0 22 89
236 A 241 ILE I E E ABF - 10 187 -129.7 141.6 178.1 -168.9 7.5 165.6 10 -2.7 10 -2.2 0 0.0 0 0.0 18 88
237 A 242 LEU L E E ABF - 9 186 -122.5 151.2 174.1 -139.3 18.7 154.5 186 -3.4 186 -2.7 0 0.0 239 -0.6 19 85
238 A 243 ILE I E E ABF - 8 185 -109.8 113.8 177.7 -165.4 21.6 165.4 8 -2.1 7 -2.3 0 0.0 8 -0.7 15 87
239 A 244 LEU L E E ABF - 6 184 -98.3 134.9 -177.2 -177.7 13.2 151.4 184 -2.6 184 -2.6 237 -0.6 0 0.0 16 82
240 A 245 GLU E E E ABF - 5 183 -140.9 142.8 178.8 -106.1 33.7 172.7 5 -2.6 5 -2.7 0 0.0 0 0.0 14 71
241 A 246 GLU E E E >AB T - 4 0 -63.0 134.3 -176.6 -124.8 38.4 116.2 182 -2.9 245 -2.5 0 0.0 0 0.0 14 52
242 A 247 LEU L H H > TS+ 0 0 -50.9 -51.5 -179.1 47.9 104.7 29.0 3 -2.5 246 -2.9 0 0.0 0 0.0 10 47
243 A 248 GLU E H H > TS+ 0 0 -60.0 -42.8 -179.8 47.5 114.0 24.7 0 0.0 247 -2.4 0 0.0 0 0.0 6 31
244 A 249 SER S H H > TS+ 0 0 -64.9 -41.3 179.5 49.7 112.9 25.2 0 0.0 248 -1.1 0 0.0 0 0.0 9 40
245 A 250 ALA A H H < >>TS+ 0 0 -62.9 -47.7 -179.9 45.7 112.8 20.9 241 -2.5 250 -2.8 0 0.0 248 -0.5 13 46
246 A 251 LEU L H H < >5TS+ 0 0 -63.7 -39.4 -179.3 62.1 105.1 27.3 242 -2.9 249 -1.7 0 0.0 0 0.0 8 31
247 A 252 ALA A H H < 35TS+ 0 0 -57.2 -32.6 -179.8 38.3 111.2 35.5 243 -2.4 0 0.0 0 0.0 0 0.0 7 23
248 A 253 ARG R T h < <5TS- 0 0 -101.6 8.1 179.5 -113.9 115.0 71.4 244 -1.1 0 0.0 245 -0.5 0 0.0 6 26
249 A 254 GLY G T T <5T - 0 0 64.6 34.0 -179.1 -170.1 49.1 33.7 246 -1.7 0 0.0 0 0.0 0 0.0 6 23
250 A 255 ALA A t T - 0 0 -67.7 134.2 -179.6 -124.5 33.2 118.5 0 0.0 275 -1.8 0 0.0 0 0.0 11 38
273 A 278 PRO P T T 3 TS+ 0 0 -46.4 -49.6 -178.8 47.6 107.3 31.7 0 0.0 0 0.0 0 0.0 0 0.0 5 35
274 A 279 ASP D T T 3 TS- 0 0 -76.2 -3.2 179.5 -134.7 99.9 58.4 0 0.0 0 0.0 0 0.0 0 0.0 7 33
275 A 280 GLY G h > < T + 0 0 55.6 30.3 -179.0 151.8 50.9 39.1 272 -1.8 279 -2.4 0 0.0 0 0.0 12 50
276 A 281 ARG R H H > T + 0 0 -58.2 -46.2 -179.7 48.8 67.4 26.2 0 0.0 280 -2.3 0 0.0 0 0.0 9 42
277 A 282 GLY G H H > TS+ 0 0 -62.3 -44.2 179.7 46.7 112.9 24.2 0 0.0 281 -2.0 0 0.0 0 0.0 11 49
278 A 283 ALA A H H > TS+ 0 0 -65.4 -38.3 179.2 53.6 110.8 28.2 0 0.0 282 -2.0 0 0.0 0 0.0 13 62
279 A 284 THR T H H X TS+ 0 0 -61.5 -45.2 -179.7 46.7 110.3 21.4 275 -2.4 283 -2.8 0 0.0 0 0.0 13 52
280 A 285 ARG R H H X TS+ 0 0 -66.9 -34.3 179.1 56.5 107.6 32.6 276 -2.3 284 -3.1 0 0.0 0 0.0 10 51
281 A 286 ALA A H H X TS+ 0 0 -63.2 -43.1 179.7 42.1 112.4 22.5 277 -2.0 285 -1.7 0 0.0 0 0.0 14 58
282 A 287 ILE I H H X TS+ 0 0 -67.9 -49.0 -179.8 47.9 116.4 17.6 278 -2.0 286 -1.9 0 0.0 0 0.0 15 66
283 A 288 ALA A H H X TS+ 0 0 -59.1 -42.7 -179.4 45.3 115.2 25.7 279 -2.8 287 -2.1 0 0.0 0 0.0 11 53
284 A 289 TRP W H H X TS+ 0 0 -74.6 -26.7 178.2 57.8 106.4 38.6 280 -3.1 288 -2.6 0 0.0 0 0.0 10 43
285 A 290 ALA A H H X TS+ 0 0 -67.5 -37.9 179.1 46.4 110.5 25.0 281 -1.7 289 -1.1 0 0.0 0 0.0 14 57
286 A 291 LEU L H H X >TS+ 0 0 -68.3 -43.9 179.0 48.5 112.3 22.9 282 -1.9 291 -2.6 0 0.0 290 -0.6 13 50
287 A 292 LYS K H H < >5TS+ 0 0 -62.8 -38.4 179.6 55.3 107.9 26.4 283 -2.1 290 -1.0 0 0.0 0 0.0 10 35
288 A 293 ASP D H H < 35TS+ 0 0 -62.3 -29.3 -179.1 46.2 111.2 35.8 284 -2.6 0 0.0 0 0.0 0 0.0 11 42
289 A 294 SER S H H < 35TS- 0 0 -90.6 -7.6 -178.2 -122.1 110.9 60.5 285 -1.1 0 0.0 0 0.0 0 0.0 10 45
290 A 295 GLY G T h < <5T + 0 0 66.8 33.0 -179.6 134.4 69.7 31.1 287 -1.0 0 0.0 286 -0.6 0 0.0 6 29
291 A 296 LEU L t T - 0 0 -85.8 152.8 -180.0 -113.5 29.7 124.3 0 0.0 295 -2.2 0 0.0 0 0.0 8 36
293 A 298 PRO P G G > TS+ 0 0 -54.3 -35.1 -179.2 66.1 114.6 31.8 0 0.0 296 -1.8 0 0.0 0 0.0 10 48
294 A 299 GLU E G G 3 TS+ 0 0 -63.2 -12.8 -179.8 67.5 89.8 51.3 0 0.0 0 0.0 0 0.0 0 0.0 6 37
295 A 300 A MET M G G < TS+ 0 0 -80.4 -20.0 -178.4 108.9 74.7 47.0 292 -2.2 0 0.0 0 0.0 0 0.0 8 43
296 A 301 VAL V g < T + 0 0 -63.1 134.4 179.4 172.6 37.1 110.2 293 -1.8 0 0.0 0 0.0 0 0.0 12 59
297 A 302 SER S e + 0 0 -108.0 -39.8 -176.4 8.8 64.1 42.4 390 -2.7 329 -1.7 0 0.0 0 0.0 11 57
298 A 303 TYR Y E E Ahi - 329 391 -148.1 148.2 177.1 -158.6 52.8 174.5 390 -1.7 392 -2.3 0 0.0 0 0.0 12 70
299 A 304 ILE I E E Ahi - 330 392 -130.5 122.1 175.8 -150.6 12.3 171.4 329 -1.8 331 -2.0 0 0.0 301 -1.1 14 82
300 A 305 ASN N E E Ahi - 331 393 -88.6 102.5 -177.5 -145.3 35.8 145.9 392 -3.2 394 -2.3 0 0.0 0 0.0 15 82
301 A 306 ALA A e - 0 0 -69.1 161.1 176.6 -128.4 20.6 99.9 331 -1.9 0 0.0 299 -1.1 0 0.0 12 90
302 A 307 HIS H + 0 0 -70.4 -46.1 178.0 160.4 51.0 19.8 0 0.0 0 0.0 0 0.0 0 0.0 12 86
303 A 308 GLY G + 0 0 23.8 72.5 -178.0 173.9 12.5 39.8 0 0.0 0 0.0 0 0.0 0 0.0 13 86
304 A 309 THR T - 0 0 -79.3 -10.9 -179.4 -115.0 47.4 55.5 0 0.0 0 0.0 0 0.0 0 0.0 16 78
305 A 310 SER S S S S+ 0 0 81.6 22.5 176.9 135.2 71.1 44.5 0 0.0 227 -2.0 0 0.0 0 0.0 17 72
306 A 311 THR T h > T - 0 0 -98.5 149.7 -179.9 -119.4 65.1 140.6 0 0.0 310 -1.5 0 0.0 0 0.0 13 59
307 A 312 PRO P H H > TS+ 0 0 -52.2 -50.1 -177.9 40.4 109.5 21.6 0 0.0 311 -0.9 0 0.0 0 0.0 9 46
308 A 313 ALA A H H > TS+ 0 0 -70.0 -44.0 -177.9 50.2 113.3 26.5 0 0.0 312 -1.6 0 0.0 0 0.0 8 51
309 A 314 ASN N H H > TS+ 0 0 -62.3 -55.2 -176.4 52.9 104.6 17.9 0 0.0 313 -3.0 0 0.0 0 0.0 11 66
310 A 315 ASP D H H X TS+ 0 0 -53.5 -41.5 180.0 40.2 114.5 33.7 306 -1.5 314 -1.6 0 0.0 0 0.0 15 66
311 A 316 A VAL V H H X TS+ 0 0 -77.4 -36.6 -180.0 50.3 116.3 29.9 307 -0.9 315 -2.3 0 0.0 0 0.0 12 55
312 A 317 A THR T H H X TS+ 0 0 -67.6 -38.4 179.8 48.4 111.8 27.6 308 -1.6 316 -2.2 0 0.0 0 0.0 13 56
313 A 318 GLU E H H X TS+ 0 0 -68.3 -41.6 178.7 51.3 110.1 25.9 309 -3.0 317 -2.6 0 0.0 0 0.0 13 68
314 A 319 THR T H H X TS+ 0 0 -60.4 -44.5 179.2 49.6 110.5 21.6 310 -1.6 318 -2.4 0 0.0 0 0.0 12 69
315 A 320 ARG R H H X TS+ 0 0 -60.2 -42.8 179.9 50.6 110.5 24.6 311 -2.3 319 -2.4 0 0.0 0 0.0 12 50
316 A 321 ALA A H H X TS+ 0 0 -62.8 -42.7 179.7 49.5 109.6 26.1 312 -2.2 320 -2.2 0 0.0 0 0.0 14 57
317 A 322 ILE I H H X TS+ 0 0 -63.5 -42.6 179.6 47.0 113.4 23.2 313 -2.6 321 -2.6 0 0.0 0 0.0 12 67
318 A 323 LYS K H H X TS+ 0 0 -67.8 -35.8 179.8 48.4 113.1 30.2 314 -2.4 322 -1.6 0 0.0 0 0.0 12 47
319 A 324 GLN Q H H < TS+ 0 0 -73.9 -31.3 180.0 42.7 116.8 32.8 315 -2.4 0 0.0 0 0.0 0 0.0 8 39
320 A 325 ALA A H H < TS+ 0 0 -82.9 -36.1 -178.3 29.7 126.0 31.9 316 -2.2 0 0.0 0 0.0 0 0.0 11 52
321 A 326 LEU L H H < > TS- 0 0 -101.6 -9.8 -179.0 -159.5 88.3 55.8 317 -2.6 324 -1.3 0 0.0 0 0.0 11 47
322 A 327 GLY G G h < > TS- 0 0 66.1 -144.9 -179.4 -11.7 70.6 111.6 318 -1.6 325 -1.9 0 0.0 0 0.0 8 29
323 A 328 A ASN N G G > TS+ 0 0 -60.1 -25.8 -179.9 73.9 127.9 40.4 0 0.0 326 -1.8 0 0.0 0 0.0 7 25
324 A 329 HIS H G G X TS+ 0 0 -60.8 -22.7 179.6 77.1 77.7 41.4 321 -1.3 327 -1.9 0 0.0 0 0.0 10 34
325 A 330 ALA A G G X TS+ 0 0 -57.1 -30.6 -179.7 51.3 92.9 34.7 322 -1.9 328 -0.7 0 0.0 0 0.0 10 44
326 A 331 TYR Y G G < TS+ 0 0 -84.4 -6.1 -178.9 56.4 106.0 57.8 323 -1.8 0 0.0 0 0.0 0 0.0 8 33
327 A 332 ASN N G G < TS+ 0 0 -108.7 9.7 178.7 71.8 97.2 74.1 324 -1.9 0 0.0 0 0.0 0 0.0 7 33
328 A 333 ILE I S g < TS- 0 0 -115.7 176.2 177.4 -110.6 80.5 129.7 325 -0.7 0 0.0 0 0.0 0 0.0 11 51
329 A 334 ALA A E E Ah - 298 0 -108.1 137.6 178.8 -176.9 32.2 153.8 297 -1.7 299 -1.8 0 0.0 0 0.0 12 58
330 A 335 VAL V E E Ah + 299 0 -132.1 140.5 177.0 168.3 7.1 170.9 377 -2.5 0 0.0 0 0.0 0 0.0 12 76
331 A 336 SER S E E Ah - 300 0 -154.9 150.4 178.1 -141.4 29.2 173.3 299 -2.0 301 -1.9 0 0.0 333 -0.6 16 78
332 A 337 SER S t > T - 0 0 -112.7 113.7 180.0 -170.1 7.0 162.3 0 0.0 335 -1.2 0 0.0 0 0.0 14 84
333 A 338 THR T T h > > TS+ 0 0 -78.1 -7.0 177.9 83.0 79.1 54.4 331 -0.6 337 -2.3 0 0.0 336 -1.7 15 88
334 A 339 LYS K H H > 3 TS+ 0 0 -67.1 -16.1 178.6 75.3 75.0 46.8 0 0.0 338 -1.5 0 0.0 0 0.0 14 92
335 A 340 SER S H H 4 < TS+ 0 0 -62.9 -29.3 -179.1 25.3 110.9 34.5 332 -1.2 0 0.0 0 0.0 0 0.0 15 80
336 A 341 MET M H H 4 < TS+ 0 0 -101.5 -41.8 -177.1 31.9 134.2 36.3 333 -1.7 32 -2.4 0 0.0 0 0.0 15 71
337 A 342 THR T H H < TS- 0 0 -93.2 -21.0 -176.1 -132.1 97.8 48.0 333 -2.3 0 0.0 0 0.0 0 0.0 15 82
338 A 343 GLY G h < T - 0 0 88.1 178.7 -179.5 -47.8 49.0 108.2 334 -1.5 340 -0.8 0 0.0 0 0.0 18 87
339 A 344 HIS H B B e - 230 0 -91.5 109.4 -179.5 -170.0 48.3 142.6 229 -3.7 231 -2.3 0 0.0 0 0.0 12 86
340 A 345 LEU L g > T - 0 0 -81.6 10.1 179.5 -154.4 21.5 71.5 338 -0.8 343 -2.6 0 0.0 0 0.0 16 85
341 A 346 LEU L G G > > TS+ 0 0 54.7 -117.8 -179.8 11.7 80.1 109.2 0 0.0 344 -1.4 0 0.0 345 -0.6 16 85
342 A 347 GLY G G G 4 3 TS+ 0 0 -59.8 -26.3 -179.8 51.2 135.3 38.1 0 0.0 165 -0.7 0 0.0 0 0.0 20 80
343 A 348 GLY G G h > < TS+ 0 0 -86.2 -12.1 -178.4 83.3 88.6 51.0 340 -2.6 347 -2.2 0 0.0 0 0.0 21 88
344 A 349 SER S H H > < TS+ 0 0 -57.9 -46.7 -179.7 51.0 88.2 24.7 341 -1.4 348 -2.3 0 0.0 0 0.0 17 92
345 A 350 GLY G H H X TS+ 0 0 -61.6 -30.6 179.5 52.5 110.9 34.1 341 -0.6 349 -1.4 0 0.0 0 0.0 19 87
346 A 351 GLY G H H > TS+ 0 0 -70.2 -58.0 -178.7 37.1 113.8 11.0 0 0.0 350 -2.0 0 0.0 0 0.0 19 **
347 A 352 ILE I H H X TS+ 0 0 -67.9 -24.7 179.4 53.1 117.9 37.1 343 -2.2 351 -2.0 0 0.0 0 0.0 16 95
348 A 353 GLU E H H X TS+ 0 0 -79.0 -29.7 176.6 50.9 106.7 34.3 344 -2.3 352 -2.3 0 0.0 0 0.0 12 89
349 A 354 ALA A H H X TS+ 0 0 -70.3 -38.1 178.6 52.4 109.8 26.3 345 -1.4 353 -2.6 0 0.0 0 0.0 12 95
350 A 355 VAL V H H X TS+ 0 0 -60.3 -46.4 -179.9 45.9 111.2 19.3 346 -2.0 354 -2.3 0 0.0 0 0.0 14 93
351 A 356 ALA A H H X TS+ 0 0 -63.5 -39.4 -179.4 50.9 112.6 28.4 347 -2.0 355 -2.1 0 0.0 0 0.0 11 91
352 A 357 THR T H H X TS+ 0 0 -65.7 -44.2 179.6 46.7 111.1 24.3 348 -2.3 356 -1.7 0 0.0 0 0.0 14 84
353 A 358 VAL V H H X TS+ 0 0 -65.6 -40.5 178.7 51.5 111.8 25.9 349 -2.6 357 -1.8 0 0.0 0 0.0 13 77
354 A 359 MET M H H X TS+ 0 0 -63.1 -38.9 179.9 55.7 105.9 26.9 350 -2.3 358 -2.9 0 0.0 0 0.0 10 70
355 A 360 ALA A H H X >TS+ 0 0 -60.8 -40.8 179.6 51.3 106.2 24.8 351 -2.1 359 -1.9 0 0.0 360 -0.7 13 63
356 A 361 ILE I H H < 5TS+ 0 0 -62.5 -41.4 -178.5 39.3 116.5 23.8 352 -1.7 0 0.0 0 0.0 0 0.0 18 56
357 A 362 ALA A H H < 5TS+ 0 0 -79.3 -30.7 -177.5 39.5 123.0 36.6 353 -1.8 0 0.0 0 0.0 0 0.0 10 45
358 A 363 GLU E H H < 5TS- 0 0 -96.4 -11.7 -177.8 -133.6 93.7 55.0 354 -2.9 0 0.0 0 0.0 0 0.0 7 42
359 A 364 ASP D T h < 5TS+ 0 0 54.2 49.6 178.4 109.4 71.5 19.6 355 -1.9 386 -1.9 0 0.0 0 0.0 10 41
360 A 365 LYS K E E CJ T - 380 0 -109.3 99.7 -179.5 -156.5 42.5 162.3 379 -1.9 381 -1.1 0 0.0 367 -0.7 19 66
365 A 370 ILE I T T 3 T + 0 0 -76.8 169.1 179.8 32.9 66.8 107.3 363 -0.7 0 0.0 0 0.0 0 0.0 12 57
366 A 371 ASN N T T 3 TS+ 0 0 67.4 0.2 -179.9 138.5 79.2 65.8 0 0.0 368 -0.8 0 0.0 0 0.0 12 54
367 A 372 LEU L t < T + 0 0 -81.6 111.2 -179.6 141.8 8.6 132.3 364 -0.7 0 0.0 0 0.0 0 0.0 12 52
368 A 373 GLU E S S S+ 0 0 -113.5 -51.1 -180.0 17.7 70.1 39.8 366 -0.8 0 0.0 0 0.0 0 0.0 6 33
369 A 374 ASN N S S S- 0 0 -130.6 92.2 -180.0 -161.4 71.6 142.3 0 0.0 223 -3.9 0 0.0 0 0.0 7 32
370 A 375 PRO P B B D - 222 0 -71.2 149.5 178.5 -97.7 32.6 111.5 0 0.0 0 0.0 0 0.0 0 0.0 11 44
371 A 376 ASP D t > T - 0 0 -59.6 155.5 179.9 -107.3 37.5 103.5 221 -1.3 374 -1.9 0 0.0 0 0.0 10 33
372 A 377 PRO P T T 3 TS+ 0 0 -55.5 -30.0 -179.3 53.3 122.9 34.7 0 0.0 0 0.0 0 0.0 0 0.0 5 27
373 A 378 GLU E T T 3 TS+ 0 0 -82.9 -10.7 177.6 69.5 95.0 55.0 0 0.0 375 -0.9 0 0.0 0 0.0 8 36
374 A 379 CYS C t < T + 0 0 -105.5 75.4 -176.5 143.7 62.6 133.4 371 -1.9 0 0.0 0 0.0 0 0.0 11 48
375 A 380 ASP D + 0 0 -106.7 26.4 179.1 107.3 28.4 88.6 373 -0.9 0 0.0 0 0.0 0 0.0 8 40
376 A 381 LEU L S S S- 0 0 -94.8 177.0 178.7 -89.2 83.4 113.1 0 0.0 378 -1.1 0 0.0 0 0.0 9 48
377 A 382 ASP D + 0 0 -89.4 100.9 -178.1 177.5 44.2 140.6 0 0.0 330 -2.5 0 0.0 0 0.0 11 54
378 A 383 TYR Y - 0 0 -91.8 19.9 -179.7 -115.3 45.9 80.8 376 -1.1 0 0.0 0 0.0 0 0.0 10 61
379 A 384 VAL V - 0 0 46.8 56.9 -180.0 -158.4 44.4 20.2 0 0.0 364 -1.9 0 0.0 0 0.0 14 54
380 A 385 PRO P B B f - 364 0 -65.7 152.2 176.8 -5.0 53.6 104.4 0 0.0 382 -1.9 0 0.0 0 0.0 12 51
381 A 386 GLY G S S S+ 0 0 73.4 -75.2 -178.1 35.0 119.4 114.2 364 -1.1 0 0.0 0 0.0 0 0.0 10 41
382 A 387 GLN Q S S S- 0 0 -121.0 157.5 177.9 -100.5 81.8 147.2 380 -1.9 0 0.0 0 0.0 0 0.0 12 36
383 A 388 SER S - 0 0 -63.2 160.5 -178.0 -147.4 42.3 103.1 27 -0.7 0 0.0 0 0.0 0 0.0 13 47
384 A 389 ARG R E E CJ - 361 0 -141.0 140.4 177.9 -118.0 14.0 175.0 361 -2.1 361 -2.7 0 0.0 0 0.0 9 42
385 A 390 ALA A E E CJ + 360 0 -71.7 137.6 -178.7 153.3 48.9 123.1 0 0.0 0 0.0 0 0.0 0 0.0 7 35
386 A 391 LEU L e - 0 0 -166.8 137.4 178.2 -108.2 52.1 156.5 359 -1.9 388 -0.8 0 0.0 0 0.0 7 38
387 A 392 ILE I - 0 0 -72.4 112.3 -179.4 -164.6 36.1 128.3 0 0.0 389 -0.9 0 0.0 0 0.0 8 36
388 A 393 VAL V + 0 0 -103.9 93.4 180.0 152.2 27.7 144.1 386 -0.8 0 0.0 0 0.0 0 0.0 16 47
389 A 394 A ASP D S e S+ 0 0 -86.1 -41.5 180.0 19.0 73.4 30.7 387 -0.9 409 -2.1 0 0.0 0 0.0 10 46
390 A 395 VAL V E E A K S- 0 408 -133.3 131.7 179.9 -179.2 71.8 177.8 0 0.0 297 -2.7 0 0.0 298 -1.7 13 63
391 A 396 ALA A E E AiK - 298 407 -135.8 141.4 179.1 -158.8 9.2 173.7 407 -2.5 407 -2.6 0 0.0 0 0.0 17 72
392 A 397 LEU L E E AiK - 299 406 -115.5 153.9 176.8 -154.4 4.6 146.6 298 -2.3 300 -3.2 0 0.0 0 0.0 13 87
393 A 398 SER S E E AiK - 300 405 -128.5 123.5 -179.0 -154.9 15.2 174.8 405 -2.1 405 -2.3 0 0.0 0 0.0 15 86
394 A 399 ASN N E E A K + 0 404 -103.7 143.1 176.9 177.0 15.8 143.3 300 -2.3 0 0.0 0 0.0 0 0.0 14 89
395 A 400 SER S E E A K + 0 403 -143.3 112.2 -179.9 175.3 3.3 157.9 403 -2.7 403 -2.8 0 0.0 397 -0.6 14 90
396 A 401 PHE F E E A K - 0 402 -119.7 83.9 -176.8 -172.7 25.5 141.1 0 0.0 0 0.0 0 0.0 0 0.0 12 82
397 A 402 GLY G E E >A K> T - 0 401 -87.8 159.0 178.9 -86.5 32.1 111.6 401 -1.3 400 -1.5 395 -0.6 401 -1.0 12 70
398 A 403 PHE F T T 4 3 TS+ 0 0 -54.1 134.8 -178.4 52.4 112.3 106.6 0 0.0 0 0.0 0 0.0 0 0.0 11 60
399 A 404 GLY G T T 4 3 TS- 0 0 115.6 -12.3 178.6 -82.3 127.7 78.8 268 -2.2 0 0.0 0 0.0 0 0.0 9 36
400 A 405 GLY G T e 4 < TS+ 0 0 94.1 11.0 -178.6 152.6 78.8 56.8 397 -1.5 264 -0.9 0 0.0 402 -0.5 15 47
401 A 406 HIS H E E 5555< >5555< 5-turns
3-turns >33< >33< >33< >>3<< >33<>33< >33X>3<< 3-turns
bridge-2 BBB*BBBBB b bridge-2
bridge-1 AAA A A CCC CCC dd bridge-1
sheets AAAAAAAAA BBB BBB AA sheets
4-turns >>>>XXX<<<< >444<>>>4<<< >>>>XXXXXXXXXXX<<<< >444< 4-turns
summary eEEEEEEEEEBTTBShHHHHHHHHHhTt eEEEe SS tTTtS eEEEe S gGGGgthHHHHHhthHHHHHHHHHHHHHHHHHht tTTgGGeEE summary
sequence KKRVVVTGLGAITPIGNTLQDYWQGLMEGRNGIGPITRFDASDQACRFGGEVKDFDATQFLDRKEAKRMDRFCHFAVCASQQAINDAKLVINELNADEIG sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEE SS SHHHHHHHHHHHHHH GGGS TTHHHHHSTTHHHHHHHHHHT S EE GGGHHHHHHHHHHHHHHTTS SEEEEEEEE SHHHHHH Kabs/Sand
chirality ++-+-+-+++++++++++++++--+++--+++++++-+++++++++++-+++--+---+-+++++++++++++++++-++-+--++--+++++-++++++ chirality
bends SS S SSSSSSSSSSSSS SSSS SSSSSSSSSSSSSSSSSSSS S SSSSSSSSSSSSSSSSSSSS S SSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTT TTTTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >>3<<>33X33< >>3<< >>3<< >33< 3-turns
bridge-2 ee FFFFFFFF bridge-2
bridge-1 dddd ee dddddd bridge-1
sheets AAAA AA AAAAAAAA sheets
4-turns >>>>XXXXXXXX<<<< >>>4<<< >>>>XXXX<<<< >>>>XXXXXXXX<<<< >>>>XXX 4-turns
summary EEEE SS hHHHHHHHHHHHHHHhGGGgtThHHHHHhThHHHHHHHHHHht SeEE gGGhHHHHHHHHHHHHHHhTt eEEEEEEEE hHHHHHH summary
sequence VLIGTGIGGLKVLEDQQTILLDKGPSRCSPFMIPMMIANMASGLTAINLGAKGPNNCTVTACAAGSNAIGDAFRLVQNGYAKAMICGGTEAAITPLSYAG sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHTT B TT GGGT TTBTT SB BB EEEEEEEEEHHHHHHTT EEEEEEEEEE S SSS TT HHHHHHHHHHHHHHT GGG EEE Kabs/Sand
chirality +++-++--++++++++++-++-++-----+-+---------++++++----+---++++-+---+--++---+-++++++++++++++-+--+++++--- chirality
bends SSSSS S S SSSS SS SS S SSSSSSS S SSS SS SSSSSSSSSSSSS SSS bends
turns TTTTTT TTTTTTTTTTTTTTTT TTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >33< >33X>3<< >33X33< >>3<< >33< >33< >>3<< 3-turns
bridge-2 FFFFFFFF GG*GGGGGG iii bridge-2
bridge-1 c D c eb BBBBBBBB AAA hhh bridge-1
sheets AAAAAAAAA AAAAAAAAAA AAA sheets
4-turns <<<< >444< >>>><<<< >>>>XXXXXXXX<<<< 4-turns
summary HHHhTtB tTTgGGGgttTTBTTt SB BB EEEEEEEEEHHHHHHhTt EEEEEEEEEEe S SSS tTThHHHHHHHHHHHHHHhtgGGGgeEEE summary
sequence FASARALSFRNDDPLHASRPFDKDRDGFVMGEGSGILILEELESALARGAKIYGEMVGYAMTCDAYHITAPVPDGRGATRAIAWALKDSGLKPEMVSYIN sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand S HHHHHHHHHHHHHHHGGGGGGSEEE THHHH B GGGHHHHHHHHHHHHHHHTEE BTT SSB TT S BSS EE SEEEEEEEETTT Kabs/Sand
chirality -++-+-++++++++++++++--+++++--+--++++----+++++++++++++++++-+-----++++---++++-+---+---+--++----++--+-+ chirality
bends S SSSSSSSSSSSSSSSSSSSSSS SSSSS SSSSSSSSSSSSSSSSSSS S SS SS S SS SS SSS bends
turns TTTTTTTTTTTTTTTTTTTTTTT TTTTTTT TTTTTTTTTTTTTTTTTTTTT TTTT TTTT TTTT turns
5-turns >5555< 5-turns
3-turns >>>XX<<< >>3<< >>3<< >33< >33< >33< 3-turns
bridge-2 KKKKKKKK bridge-2
bridge-1 hhh e JJ f D f JJ iii bridge-1
sheets AAA CC CC AAAAAAAA sheets
4-turns >>>>XXXXXXXXX<<<< >>44<< >4>>X>XXXXXXXXX<<<< >444 4-turns
summary e ShHHHHHHHHHHHHHHHhGGGGGgEEEthHHHHhBgGGhHHHHHHHHHHHHHHHhEE BTTtSSBtTTt S BSS EEe eEEEEEEEETTe summary
sequence AHGTSTPANDVTETRAIKQALGNHAYNIAVSSTKSMTGHLLGGSGGIEAVATVMAIAEDKVPPTINLENPDPECDLDYVPGQSRALIVDVALSNSFGFGG sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand EEEEEEEE Kabs/Sand
chirality -+---+--- chirality
bends bends
turns T turns
5-turns 5-turns
3-turns 3-turns
bridge-2 KKKKKKKK bridge-2
bridge-1 GGGGGGGG bridge-1
sheets AAAAAAAA sheets
4-turns < 4-turns
summary EEEEEEEEe summary
sequence HNVTLAFKKYQ sequence
410