Secondary structure calculation program - copyright by David Keith Smith, 1989
1i6iA.pdb
1I6I TRANSPORT PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 333
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 3 GLY G 0 0 999.9 161.4 -176.9 999.9 999.9 999.9 0 0.0 3 -0.5 0 0.0 0 0.0 6 29
2 A 4 ALA A E E AA - 326 0 -94.5 126.4 178.3 -119.7 999.9 148.4 326 -1.1 326 -2.4 0 0.0 0 0.0 8 35
3 A 5 SER S E E AA - 325 0 -66.6 145.0 176.9 -108.0 25.2 110.3 1 -0.5 5 -0.5 0 0.0 0 0.0 11 44
4 A 6 VAL V e - 0 0 -73.4 121.5 179.5 -130.7 41.0 133.5 324 -2.2 0 0.0 0 0.0 0 0.0 14 58
5 A 7 LYS K E E Bb - 296 0 -78.3 140.7 -177.3 -157.6 23.3 123.9 295 -2.0 297 -2.7 3 -0.5 0 0.0 9 54
6 A 8 VAL V E E Bb + 297 0 -128.9 132.9 177.9 174.0 16.8 165.6 0 0.0 51 -1.8 0 0.0 52 -1.3 15 59
7 A 9 ALA A E E Bbc - 298 52 -129.1 147.4 177.1 -160.0 12.0 162.4 297 -2.4 299 -3.3 0 0.0 0 0.0 14 67
8 A 10 VAL V E E Bbc - 299 53 -124.5 150.7 -177.8 -166.0 9.2 159.1 52 -1.8 54 -2.8 0 0.0 0 0.0 14 72
9 A 11 ARG R E E Bbc - 300 54 -144.9 129.3 179.1 -153.0 9.3 169.7 299 -2.6 301 -3.3 0 0.0 0 0.0 12 77
10 A 12 VAL V E E Bbc - 301 55 -104.9 133.3 -178.7 -154.3 15.7 151.4 54 -2.1 56 -1.6 0 0.0 0 0.0 15 69
11 A 13 ARG R e - 0 0 -97.1 174.3 179.5 -86.7 27.8 112.8 301 -1.7 0 0.0 0 0.0 0 0.0 14 60
12 A 14 PRO P - 0 0 -74.3 166.4 178.7 -76.5 62.5 108.0 0 0.0 0 0.0 0 0.0 0 0.0 10 47
13 A 15 PHE F - 0 0 -59.7 151.5 177.8 -142.4 50.9 104.4 0 0.0 0 0.0 0 0.0 0 0.0 11 39
14 A 16 ASN N h > T - 0 0 -108.7 -179.9 -177.7 -87.4 31.8 122.6 0 0.0 18 -2.4 0 0.0 0 0.0 6 33
15 A 17 SER S H H > TS+ 0 0 -54.6 -46.2 179.8 50.7 124.7 25.7 0 0.0 19 -2.4 0 0.0 0 0.0 6 26
16 A 18 A ARG R H H > TS+ 0 0 -56.7 -57.5 179.9 45.9 111.6 14.7 0 0.0 20 -1.0 0 0.0 0 0.0 6 26
17 A 19 GLU E H H 4 >>TS+ 0 0 -55.3 -41.8 179.2 51.3 112.9 27.3 0 0.0 22 -2.3 0 0.0 20 -0.7 11 32
18 A 20 MET M H H < >5TS+ 0 0 -64.6 -38.8 -178.9 56.8 104.2 25.8 14 -2.4 21 -1.6 0 0.0 0 0.0 9 23
19 A 21 SER S H H < 35TS+ 0 0 -65.2 -19.3 -178.4 45.0 111.1 42.8 15 -2.4 0 0.0 0 0.0 0 0.0 7 16
20 A 22 A ARG R T h < <5TS- 0 0 -106.3 7.8 -179.7 -115.8 113.2 73.3 16 -1.0 0 0.0 17 -0.7 0 0.0 6 18
21 A 23 ASP D T T <5T - 0 0 57.3 46.7 180.0 -170.0 45.5 23.3 18 -1.6 0 0.0 0 0.0 0 0.0 6 20
22 A 24 SER S t T - 32 0 -162.1 120.7 -178.5 -32.9 68.9 148.8 32 -2.1 32 -2.2 0 0.0 0 0.0 7 31
30 A 32 GLY G T T 3 TS- 0 0 64.7 -129.8 179.7 -28.6 125.0 117.2 0 0.0 53 -0.5 0 0.0 0 0.0 6 26
31 A 33 SER S T e 3 TS+ 0 0 -100.4 7.0 -178.8 104.4 117.8 70.4 0 0.0 50 -2.2 0 0.0 0 0.0 10 35
32 A 34 THR T E E CDE< T - 29 49 -96.3 136.9 177.1 -167.0 49.7 136.0 29 -2.2 29 -2.1 0 0.0 0 0.0 12 35
33 A 35 THR T E E CDE - 28 48 -119.8 131.4 179.5 -164.6 7.2 168.4 48 -3.0 48 -2.6 0 0.0 0 0.0 13 50
34 A 36 THR T E E CDE - 27 47 -118.8 138.6 179.5 -160.5 1.3 160.9 27 -2.9 27 -2.4 0 0.0 0 0.0 11 47
35 A 37 ILE I E E CDE - 26 46 -123.3 131.2 -179.5 -150.8 5.7 166.6 46 -2.8 46 -1.6 0 0.0 0 0.0 11 52
36 A 38 VAL V e - 0 0 -99.0 142.6 180.0 -126.0 18.1 139.6 25 -2.5 0 0.0 0 0.0 0 0.0 10 38
37 A 39 ASN N - 0 0 -91.8 110.0 -179.7 -165.8 17.6 143.4 0 0.0 0 0.0 0 0.0 0 0.0 11 33
38 A 40 PRO P S S S+ 0 0 -63.1 -32.3 -179.1 46.7 87.7 36.4 0 0.0 0 0.0 0 0.0 0 0.0 8 32
39 A 41 LYS K S S S+ 0 0 -79.9 -36.2 179.9 32.8 122.7 33.7 0 0.0 0 0.0 0 0.0 0 0.0 4 24
40 A 42 GLN Q t > T + 0 0 -121.0 72.0 -179.4 165.0 65.9 131.2 0 0.0 43 -1.8 0 0.0 0 0.0 6 18
41 A 43 PRO P T T 3 T + 0 0 -64.6 -8.7 -178.8 76.9 67.9 53.6 0 0.0 0 0.0 0 0.0 0 0.0 8 20
42 A 44 LYS K T T 3 TS+ 0 0 -79.5 -9.5 179.8 83.8 79.7 59.5 0 0.0 0 0.0 0 0.0 0 0.0 4 12
43 A 45 GLU E S t < TS- 0 0 -91.3 171.6 178.2 -99.5 90.8 115.9 40 -1.8 0 0.0 0 0.0 0 0.0 6 15
44 A 46 THR T - 0 0 -87.2 137.0 -180.0 -104.8 47.9 136.5 0 0.0 0 0.0 0 0.0 0 0.0 6 19
45 A 47 PRO P - 0 0 -65.0 143.4 179.8 -117.9 33.2 113.0 0 0.0 0 0.0 0 0.0 0 0.0 8 30
46 A 48 LYS K E E CE - 35 0 -85.6 131.7 -180.0 -158.9 28.6 131.5 35 -1.6 35 -2.8 0 0.0 0 0.0 7 36
47 A 49 SER S E E CE - 34 0 -113.4 147.9 -179.8 -172.8 8.7 148.7 0 0.0 0 0.0 0 0.0 0 0.0 8 35
48 A 50 PHE F E E CE - 33 0 -138.2 141.6 -179.5 -145.9 12.5 173.3 33 -2.6 33 -3.0 0 0.0 0 0.0 9 43
49 A 51 SER S E E CE + 32 0 -112.3 137.6 -178.7 168.6 24.5 154.7 0 0.0 0 0.0 0 0.0 0 0.0 9 40
50 A 52 PHE F e - 0 0 -136.7 177.8 177.5 -97.4 52.5 142.0 31 -2.2 0 0.0 0 0.0 0 0.0 13 46
51 A 53 ASP D S S S+ 0 0 -64.9 -34.8 179.3 5.8 113.8 27.6 6 -1.8 0 0.0 0 0.0 0 0.0 8 44
52 A 54 TYR Y E E Bc - 7 0 -149.9 135.9 175.2 -163.4 57.9 171.2 6 -1.3 8 -1.8 0 0.0 54 -0.6 10 50
53 A 55 SER S E E Bc - 8 0 -120.6 98.1 -178.6 -156.2 23.3 154.2 30 -0.5 55 -0.6 0 0.0 0 0.0 15 53
54 A 56 TYR Y E E Bc - 9 0 -83.5 116.7 178.7 -157.0 6.5 131.9 8 -2.8 10 -2.1 52 -0.6 56 -1.0 12 59
55 A 57 TRP W E E Bc + 10 0 -91.1 101.2 -179.8 147.1 33.8 141.5 53 -0.6 66 -1.9 0 0.0 0 0.0 12 52
56 A 58 SER S e + 0 0 -125.8 37.7 -176.1 113.2 32.7 97.8 10 -1.6 0 0.0 54 -1.0 0 0.0 13 52
57 A 59 HIS H S S S+ 0 0 -82.4 -24.5 -178.5 39.0 76.4 42.5 0 0.0 0 0.0 0 0.0 0 0.0 10 48
58 A 60 THR T S S S- 0 0 -93.5 -121.3 176.8 -82.7 100.6 52.8 0 0.0 0 0.0 0 0.0 0 0.0 9 32
59 A 61 SER S t > T - 0 0 -154.6 156.8 -178.7 -90.4 39.2 171.3 0 0.0 62 -3.6 0 0.0 0 0.0 8 26
60 A 62 PRO P T T 3 TS+ 0 0 -42.6 -20.8 178.7 71.6 117.0 50.1 0 0.0 0 0.0 0 0.0 0 0.0 8 24
61 A 63 GLU E T T 3 TS+ 0 0 -72.2 -12.1 179.5 89.8 82.3 46.4 0 0.0 0 0.0 0 0.0 0 0.0 5 17
62 A 64 ASP D S t X TS- 0 0 -81.1 138.0 177.7 -140.6 77.6 127.6 59 -3.6 65 -1.0 0 0.0 0 0.0 7 17
63 A 65 ILE I T T 3 TS+ 0 0 -66.4 -31.2 -178.3 50.9 103.3 30.2 0 0.0 0 0.0 0 0.0 0 0.0 5 17
64 A 66 ASN N T T 3 TS+ 0 0 -88.6 5.9 179.9 121.5 79.9 69.7 0 0.0 0 0.0 0 0.0 0 0.0 6 28
65 A 67 TYR Y t < T - 0 0 -73.9 133.0 -179.8 -132.5 62.0 121.2 62 -1.0 67 -0.9 0 0.0 0 0.0 13 31
66 A 68 ALA A - 0 0 -89.1 108.3 -177.8 -155.9 30.8 140.1 55 -1.9 0 0.0 0 0.0 0 0.0 10 48
67 A 69 SER S h > T - 0 0 -82.5 168.4 178.0 -108.7 30.3 104.9 65 -0.9 71 -2.4 0 0.0 0 0.0 8 47
68 A 70 GLN Q H H > TS+ 0 0 -59.3 -39.2 179.6 57.0 121.9 27.5 0 0.0 72 -2.3 0 0.0 0 0.0 13 57
69 A 71 LYS K H H > TS+ 0 0 -63.1 -38.2 179.0 45.2 107.5 31.2 0 0.0 73 -2.4 0 0.0 0 0.0 8 42
70 A 72 A GLN Q H H > TS+ 0 0 -72.3 -42.2 -179.7 52.8 111.0 23.8 0 0.0 74 -2.0 0 0.0 0 0.0 8 44
71 A 73 VAL V H H X >TS+ 0 0 -59.3 -40.7 179.1 40.5 116.3 25.5 67 -2.4 75 -1.2 0 0.0 76 -1.0 12 59
72 A 74 TYR Y H H < >TS+ 0 0 -75.2 -40.6 -178.3 53.8 112.3 26.2 68 -2.3 77 -3.1 0 0.0 0 0.0 13 54
73 A 75 ARG R H H < 5TS+ 0 0 -66.6 -24.8 177.8 44.2 113.6 39.6 69 -2.4 0 0.0 0 0.0 0 0.0 9 38
74 A 76 ASP D H H X 5TS+ 0 0 -79.7 -73.3 -178.1 2.9 135.6 17.1 70 -2.0 78 -0.8 0 0.0 0 0.0 8 40
75 A 77 A ILE I H H X 5TS+ 0 0 -85.3 -40.4 179.7 53.1 129.2 30.0 71 -1.2 79 -2.1 0 0.0 0 0.0 9 54
76 A 78 GLY G H H > TS+ 0 0 -68.1 -36.6 178.2 56.1 105.0 28.3 78 -1.5 87 -2.6 0 0.0 86 -0.8 12 44
83 A 85 ALA A H H < >5TS+ 0 0 -59.4 -42.0 179.4 51.3 106.0 22.6 79 -2.0 86 -1.1 0 0.0 0 0.0 14 49
84 A 86 PHE F H H < 35TS+ 0 0 -65.1 -28.4 179.0 56.6 104.3 36.3 80 -2.0 0 0.0 0 0.0 0 0.0 8 45
85 A 87 GLU E H H < 35TS- 0 0 -76.9 -13.0 179.3 -101.7 127.8 48.7 81 -1.2 0 0.0 0 0.0 0 0.0 6 36
86 A 88 GLY G T h < <5TS+ 0 0 105.4 10.4 -179.9 135.4 77.3 56.5 83 -1.1 0 0.0 82 -0.8 0 0.0 9 38
87 A 89 TYR Y t TS- 0 0 -60.7 153.5 179.0 -77.4 75.4 100.2 300 -0.6 99 -2.5 0 0.0 0 0.0 14 58
97 A 99 THR T T T 3 TS+ 0 0 -52.9 129.4 178.8 11.4 120.7 106.7 251 -3.1 0 0.0 0 0.0 0 0.0 10 54
98 A 100 GLY G T T 3 TS+ 0 0 79.6 4.9 -178.1 120.3 89.3 60.3 0 0.0 0 0.0 0 0.0 0 0.0 7 54
99 A 101 ALA A S t < TS- 0 0 -76.1 -20.1 179.1 -87.7 92.1 44.7 96 -2.5 0 0.0 0 0.0 0 0.0 11 59
100 A 102 GLY G S h > TS+ 0 0 122.2 27.5 179.6 135.9 79.6 46.0 0 0.0 104 -1.5 0 0.0 0 0.0 13 61
101 A 103 LYS K H H > TS+ 0 0 -68.8 -50.9 -179.1 42.3 78.8 21.8 0 0.0 105 -2.3 0 0.0 0 0.0 14 62
102 A 104 SER S H H > >TS+ 0 0 -66.1 -38.8 178.1 55.0 112.2 26.4 0 0.0 106 -3.6 0 0.0 107 -2.2 9 62
103 A 105 TYR Y H H 4 5TS+ 0 0 -59.1 -45.3 179.5 45.1 111.7 21.4 0 0.0 0 0.0 0 0.0 0 0.0 10 59
104 A 106 THR T H H < 5TS+ 0 0 -65.2 -43.9 -177.9 33.8 123.3 23.0 100 -1.5 116 -2.5 0 0.0 0 0.0 11 66
105 A 107 MET M H H < 5TS+ 0 0 -82.4 -40.7 -178.0 7.3 142.4 29.2 101 -2.3 117 -2.6 0 0.0 0 0.0 13 68
106 A 108 MET M T h < 5TS+ 0 0 -109.2 -46.0 179.9 176.6 82.2 35.4 102 -3.6 115 -3.0 0 0.0 0 0.0 11 60
107 A 109 GLY G B B B TS+ 0 0 -162.8 177.9 151.9 33.9 90.4 153.2 108 -0.7 113 -3.1 0 0.0 0 0.0 6 18
111 A 113 LYS K T T 3 TS- 0 0 45.8 26.5 -173.4 -67.7 121.5 59.8 0 0.0 0 0.0 0 0.0 0 0.0 5 18
112 A 114 ASP D T T 3 TS+ 0 0 46.9 46.0 179.1 130.9 102.8 24.8 0 0.0 0 0.0 0 0.0 0 0.0 7 30
113 A 115 GLN Q t < T + 0 0 -108.7 11.6 179.6 128.4 26.7 84.6 110 -3.1 108 -2.8 0 0.0 0 0.0 9 35
114 A 116 GLN Q B B B - 107 0 -73.1 136.9 -178.9 -136.5 50.4 121.6 0 0.0 0 0.0 0 0.0 0 0.0 14 39
115 A 117 GLY G h > T - 0 0 -81.7 -163.2 -178.7 -69.2 34.8 82.1 106 -3.0 119 -2.1 0 0.0 0 0.0 15 51
116 A 118 ILE I H H > TS+ 0 0 -57.6 -47.1 -178.5 51.6 124.5 27.9 104 -2.5 120 -2.6 0 0.0 0 0.0 14 66
117 A 119 ILE I H H > TS+ 0 0 -61.8 -51.3 179.7 42.8 112.5 18.3 105 -2.6 121 -2.3 0 0.0 0 0.0 9 70
118 A 120 PRO P H H > TS+ 0 0 -62.1 -43.3 179.8 48.2 117.3 18.8 0 0.0 122 -2.4 0 0.0 0 0.0 10 60
119 A 121 GLN Q H H X TS+ 0 0 -63.4 -40.3 179.7 48.6 111.8 26.7 115 -2.1 123 -2.7 0 0.0 0 0.0 10 53
120 A 122 LEU L H H X TS+ 0 0 -66.9 -42.4 179.9 49.2 111.7 24.1 116 -2.6 124 -2.6 0 0.0 0 0.0 12 59
121 A 123 CYS C H H X TS+ 0 0 -61.4 -45.0 179.6 46.1 113.8 21.6 117 -2.3 125 -2.1 0 0.0 0 0.0 10 63
122 A 124 GLU E H H X TS+ 0 0 -61.9 -48.5 179.2 48.8 113.4 19.4 118 -2.4 126 -2.3 0 0.0 0 0.0 9 47
123 A 125 ASP D H H X TS+ 0 0 -58.4 -40.0 -179.5 54.7 109.6 27.3 119 -2.7 127 -2.4 0 0.0 0 0.0 8 45
124 A 126 LEU L H H X TS+ 0 0 -61.9 -48.8 -179.8 41.5 111.2 22.0 120 -2.6 128 -1.9 0 0.0 0 0.0 9 54
125 A 127 PHE F H H X TS+ 0 0 -70.6 -31.1 178.2 56.3 112.2 32.6 121 -2.1 129 -2.5 0 0.0 0 0.0 10 41
126 A 128 SER S H H X TS+ 0 0 -64.0 -46.1 179.7 45.8 109.3 21.5 122 -2.3 130 -0.8 0 0.0 0 0.0 8 31
127 A 129 ARG R H H < TS+ 0 0 -64.4 -38.8 179.7 50.5 113.1 27.6 123 -2.4 0 0.0 0 0.0 0 0.0 8 35
128 A 130 ILE I H H < > TS+ 0 0 -65.7 -43.5 -179.2 46.8 111.3 24.4 124 -1.9 131 -1.2 0 0.0 0 0.0 8 38
129 A 131 ASN N H H < 3 TS+ 0 0 -75.8 -8.8 179.2 63.1 104.4 54.2 125 -2.5 0 0.0 0 0.0 0 0.0 6 27
130 A 132 ASP D T h < 3 TS+ 0 0 -91.7 -4.1 179.0 122.3 77.1 62.7 126 -0.8 0 0.0 0 0.0 0 0.0 6 20
131 A 133 THR T t < T + 0 0 -58.3 140.9 178.8 174.0 33.0 106.3 128 -1.2 0 0.0 0 0.0 0 0.0 8 21
132 A 134 THR T + 0 0 -128.1 -6.2 178.6 94.3 52.7 65.8 0 0.0 134 -1.0 0 0.0 0 0.0 4 16
133 A 135 ASN N t > T - 0 0 -92.7 101.7 -178.0 -160.3 59.6 142.2 0 0.0 136 -2.5 0 0.0 0 0.0 5 17
134 A 136 ASP D T T 3 TS+ 0 0 -60.1 -6.6 178.8 75.5 84.3 56.7 132 -1.0 0 0.0 0 0.0 0 0.0 6 18
135 A 137 ASN N T e 3 TS+ 0 0 -80.8 -8.3 179.6 75.3 87.7 53.8 0 0.0 228 -4.1 0 0.0 0 0.0 7 26
136 A 138 MET M E E BH < T + 227 0 -108.4 132.8 177.2 171.2 56.6 152.7 133 -2.5 0 0.0 0 0.0 0 0.0 10 30
137 A 139 SER S E E BH - 226 0 -134.9 152.8 -177.3 -148.2 15.8 163.4 226 -2.3 226 -2.7 0 0.0 0 0.0 8 35
138 A 140 TYR Y E E BH - 225 0 -129.3 160.6 179.0 -166.1 13.6 150.1 0 0.0 0 0.0 0 0.0 0 0.0 9 42
139 A 141 SER S E E BH - 224 0 -142.2 133.4 -179.3 -168.3 7.8 174.6 224 -2.0 224 -2.7 0 0.0 0 0.0 10 45
140 A 142 VAL V E E BH - 223 0 -128.4 123.7 179.4 -178.9 6.0 172.4 0 0.0 184 -2.5 0 0.0 0 0.0 11 50
141 A 143 GLU E E E BHI - 222 183 -122.6 142.8 -178.7 -160.7 8.4 161.2 222 -1.8 222 -3.0 0 0.0 0 0.0 11 44
142 A 144 VAL V E E BHI + 221 182 -128.1 152.3 178.8 178.1 12.7 157.0 182 -2.5 182 -2.7 0 0.0 0 0.0 13 56
143 A 145 A SER S E E BH - 220 0 -145.3 148.3 -178.3 -168.3 6.6 168.6 220 -2.2 220 -2.5 0 0.0 0 0.0 13 54
144 A 146 TYR Y E E BH + 219 0 -145.7 123.2 -177.4 170.7 12.8 163.4 0 0.0 155 -2.2 0 0.0 156 -0.7 13 66
145 A 147 MET M E E BHJ - 218 154 -134.0 161.6 178.1 -143.2 22.3 152.4 218 -2.2 218 -2.7 0 0.0 0 0.0 13 62
146 A 148 GLU E E E BHJ - 217 153 -122.8 143.5 177.8 -155.4 7.4 162.8 153 -2.2 153 -2.5 0 0.0 148 -0.5 14 67
147 A 149 ILE I E E BHJ + 216 152 -121.5 114.9 -178.3 167.1 21.7 166.3 216 -3.2 216 -3.2 0 0.0 0 0.0 14 63
148 A 150 TYR Y E E BHJ> TS- 215 151 -133.0 118.6 -178.4 -15.7 71.3 166.3 151 -2.7 151 -2.1 146 -0.5 0 0.0 11 49
149 A 151 CYS C T e 3 TS- 0 0 53.6 46.1 178.9 -55.4 128.3 19.9 214 -0.6 0 0.0 0 0.0 0 0.0 11 41
150 A 152 GLU E T T 3 TS+ 0 0 69.8 -4.9 179.7 124.9 113.8 68.7 0 0.0 0 0.0 0 0.0 0 0.0 13 46
151 A 153 ARG R E E BJ < T - 148 0 -89.4 132.5 -177.4 -146.8 51.9 136.5 148 -2.1 148 -2.7 0 0.0 0 0.0 10 48
152 A 154 VAL V E E BJC - 147 164 -102.9 126.8 178.6 -174.3 15.4 146.1 164 -0.6 164 -1.4 0 0.0 0 0.0 12 56
153 A 155 ARG R E E BJ - 146 0 -120.9 138.6 178.9 -125.1 26.7 162.8 146 -2.5 146 -2.2 0 0.0 155 -0.8 12 50
154 A 156 ASP D E E BJ > T - 145 0 -81.1 110.5 -179.2 -168.4 19.8 135.8 0 0.0 157 -1.1 0 0.0 0 0.0 14 47
155 A 157 LEU L T e 3 TS+ 0 0 -76.1 -11.1 179.2 57.0 85.9 54.4 144 -2.2 0 0.0 153 -0.8 0 0.0 13 51
156 A 158 LEU L T T 3 TS+ 0 0 -97.6 2.0 -179.8 35.3 117.0 68.6 144 -0.7 0 0.0 0 0.0 0 0.0 11 46
157 A 159 ASN N t X T + 0 0 -151.8 60.7 179.8 158.0 60.4 112.2 154 -1.1 160 -1.2 0 0.0 0 0.0 7 37
158 A 160 PRO P T T 3 T + 0 0 -67.8 6.5 -178.9 88.0 65.6 65.5 0 0.0 0 0.0 0 0.0 0 0.0 9 34
159 A 161 LYS K T T 3 TS+ 0 0 -89.2 8.7 177.4 61.7 80.9 76.0 0 0.0 0 0.0 0 0.0 0 0.0 4 23
160 A 162 ASN N t < T - 0 0 -140.0 131.5 -175.4 -160.9 62.8 176.4 157 -1.2 0 0.0 0 0.0 0 0.0 6 24
161 A 163 LYS K + 0 0 -95.0 -3.0 167.1 130.6 48.2 64.3 0 0.0 0 0.0 0 0.0 0 0.0 6 25
162 A 164 GLY G - 0 0 -39.0 123.0 159.8 -137.5 59.5 101.0 0 0.0 164 -1.0 0 0.0 0 0.0 5 25
163 A 165 ASN N - 0 0 -88.3 99.1 -174.7 -126.3 35.1 158.2 0 0.0 0 0.0 0 0.0 0 0.0 7 34
164 A 166 LEU L B B C - 152 0 -52.7 138.7 -179.0 -124.2 17.0 102.4 152 -1.4 152 -0.6 162 -1.0 0 0.0 12 38
165 A 167 ARG R e - 0 0 -89.7 129.3 177.1 -137.4 12.8 134.8 0 0.0 177 -2.8 0 0.0 0 0.0 7 34
166 A 168 VAL V E E DK - 176 0 -86.0 127.8 -179.3 -178.0 33.6 140.7 0 0.0 0 0.0 0 0.0 0 0.0 11 41
167 A 169 ARG R E E DK - 175 0 -125.4 171.6 179.1 -125.5 30.1 139.3 175 -3.0 175 -2.1 0 0.0 169 -0.6 8 30
168 A 170 GLU E E E DK - 174 0 -119.2 112.4 179.2 -138.8 25.4 166.5 0 0.0 0 0.0 0 0.0 0 0.0 8 27
169 A 171 HIS H E E >DK T - 173 0 -68.5 138.8 -179.5 -123.0 21.2 121.6 173 -3.1 173 -1.0 167 -0.6 0 0.0 8 18
170 A 172 PRO P T T 4 TS+ 0 0 -55.1 -27.3 -179.6 7.3 102.9 38.1 0 0.0 0 0.0 0 0.0 0 0.0 5 11
171 A 173 LEU L T T 4 TS+ 0 0 -122.8 -34.9 -173.0 50.1 129.5 46.9 0 0.0 0 0.0 0 0.0 0 0.0 4 9
172 A 174 LEU L T T 4 TS- 0 0 -98.9 9.7 176.8 -120.6 97.0 70.7 0 0.0 0 0.0 0 0.0 0 0.0 6 19
173 A 175 GLY G E E T - 166 0 -97.3 116.8 -178.1 -121.9 42.5 151.6 0 0.0 179 -1.6 0 0.0 0 0.0 9 46
177 A 179 GLU E T e 3 TS- 0 0 -64.3 129.2 179.3 -4.3 86.9 113.0 165 -2.8 0 0.0 175 -0.7 0 0.0 8 34
178 A 180 ASP D T T 3 TS+ 0 0 64.6 16.8 178.3 158.1 85.2 51.3 0 0.0 0 0.0 0 0.0 0 0.0 5 32
179 A 181 LEU L t < T - 0 0 -69.7 131.4 -178.2 -108.6 49.1 124.1 176 -1.6 0 0.0 0 0.0 0 0.0 9 42
180 A 182 SER S - 0 0 -67.9 141.3 -179.9 -164.6 30.3 111.7 0 0.0 0 0.0 0 0.0 0 0.0 8 40
181 A 183 LYS K - 0 0 -126.2 102.8 -175.1 -164.2 12.5 161.3 0 0.0 0 0.0 0 0.0 0 0.0 7 39
182 A 184 LEU L E E BI - 142 0 -104.1 133.4 178.7 -132.6 16.4 142.6 142 -2.7 142 -2.5 0 0.0 0 0.0 7 36
183 A 185 ALA A E E BI - 141 0 -76.2 133.8 179.4 -173.9 27.2 125.4 0 0.0 0 0.0 0 0.0 0 0.0 8 33
184 A 186 VAL V e - 0 0 -132.3 136.3 -178.1 -175.0 18.0 176.1 140 -2.5 0 0.0 0 0.0 0 0.0 11 36
185 A 187 THR T + 0 0 -115.8 12.1 178.8 35.7 67.4 74.4 0 0.0 0 0.0 0 0.0 0 0.0 8 34
186 A 188 SER S S h > TS- 0 0 -157.6 158.4 179.1 -118.7 74.0 170.3 0 0.0 190 -1.8 0 0.0 0 0.0 7 33
187 A 189 TYR Y H H > TS+ 0 0 -67.1 -38.7 180.0 58.6 113.5 28.2 0 0.0 191 -3.0 0 0.0 0 0.0 10 37
188 A 190 ASN N H H > TS+ 0 0 -57.1 -44.0 180.0 46.9 107.6 22.0 0 0.0 192 -2.0 0 0.0 0 0.0 6 31
189 A 191 ASP D H H > TS+ 0 0 -65.3 -42.3 -179.3 47.8 112.5 25.2 0 0.0 193 -1.7 0 0.0 0 0.0 9 31
190 A 192 ILE I H H X TS+ 0 0 -66.8 -38.2 179.3 52.4 110.9 24.8 186 -1.8 194 -2.2 0 0.0 0 0.0 12 47
191 A 193 GLN Q H H X TS+ 0 0 -63.3 -39.3 179.4 54.6 105.8 27.2 187 -3.0 195 -2.7 0 0.0 0 0.0 9 46
192 A 194 ASP D H H X TS+ 0 0 -61.5 -39.7 179.0 46.6 109.6 27.3 188 -2.0 196 -2.1 0 0.0 0 0.0 8 34
193 A 195 LEU L H H X TS+ 0 0 -68.9 -37.8 179.7 52.4 111.4 27.4 189 -1.7 197 -2.1 0 0.0 0 0.0 9 43
194 A 196 MET M H H X TS+ 0 0 -62.2 -45.6 -179.5 49.4 110.0 23.0 190 -2.2 198 -2.8 0 0.0 0 0.0 9 56
195 A 197 ASP D H H X TS+ 0 0 -61.6 -49.7 180.0 43.4 113.0 22.7 191 -2.7 199 -1.2 0 0.0 0 0.0 8 41
196 A 198 SER S H H X TS+ 0 0 -66.1 -34.1 179.4 54.2 113.9 29.9 192 -2.1 200 -0.6 0 0.0 0 0.0 10 33
197 A 199 GLY G H H < > TS+ 0 0 -63.4 -49.0 179.3 50.5 105.5 18.6 193 -2.1 200 -1.8 0 0.0 0 0.0 11 47
198 A 200 ASN N H H < > TS+ 0 0 -58.9 -26.4 -179.9 58.0 107.1 38.5 194 -2.8 201 -0.7 0 0.0 0 0.0 8 50
199 A 201 LYS K H H < 3 TS+ 0 0 -78.0 -15.5 -178.3 56.5 101.3 49.2 195 -1.2 0 0.0 0 0.0 0 0.0 6 34
200 A 202 ALA A T h < < TS+ 0 0 -98.5 2.4 -179.1 118.0 78.3 66.5 197 -1.8 0 0.0 196 -0.6 0 0.0 8 37
201 A 203 ARG R S t < TS- 0 0 -74.4 149.3 -179.5 -95.8 73.0 113.1 198 -0.7 0 0.0 0 0.0 0 0.0 11 49
202 A 204 THR T - 0 0 -63.5 136.2 179.2 -157.1 39.6 109.6 0 0.0 212 -3.0 0 0.0 0 0.0 8 44
203 A 205 VAL V B B D - 211 0 -113.1 162.6 -178.8 -139.7 4.2 139.5 0 0.0 0 0.0 0 0.0 0 0.0 9 30
204 A 206 ALA A g >>T - 0 0 -131.4 125.5 178.5 -151.1 14.7 167.1 210 -2.7 207 -2.3 0 0.0 209 -1.6 11 24
205 A 207 ALA A G G >5TS+ 0 0 -51.4 -40.9 179.7 61.4 105.6 25.4 0 0.0 208 -2.0 0 0.0 0 0.0 7 14
206 A 208 THR T G G 35TS+ 0 0 -58.6 -23.4 -179.9 49.5 101.9 46.5 0 0.0 0 0.0 0 0.0 0 0.0 6 16
207 A 209 ASN N G G X5TS- 0 0 -106.6 28.8 -178.0 -90.4 134.6 90.1 204 -2.3 210 -0.8 0 0.0 0 0.0 10 22
208 A 210 A MET M T g <5TS- 0 0 61.2 41.6 -177.3 -61.0 80.6 23.4 205 -2.0 0 0.0 0 0.0 0 0.0 6 16
209 A 211 ASN N T T 3 T - 0 0 -57.0 132.5 179.8 -140.3 22.3 106.6 202 -3.0 215 -1.3 0 0.0 0 0.0 12 39
213 A 215 SER S T T 3 TS+ 0 0 -69.3 -8.8 -177.6 61.2 99.0 52.5 0 0.0 249 -2.9 0 0.0 0 0.0 9 44
214 A 216 ARG R T e 3 TS+ 0 0 -103.2 7.5 179.7 95.0 81.3 71.7 0 0.0 149 -0.6 0 0.0 0 0.0 10 53
215 A 217 SER S E E BH < T - 148 0 -103.3 146.7 179.1 -145.5 59.5 141.5 212 -1.3 0 0.0 0 0.0 0 0.0 14 62
216 A 218 HIS H E E BH - 147 0 -107.3 137.6 178.8 -154.6 9.1 153.2 147 -3.2 147 -3.2 0 0.0 0 0.0 11 65
217 A 219 ALA A E E BHL - 146 246 -115.6 125.3 179.4 -168.8 6.9 161.2 246 -2.5 246 -2.6 0 0.0 219 -0.6 11 70
218 A 220 VAL V E E BHL - 145 245 -117.7 117.1 -179.5 -168.0 0.9 159.9 145 -2.7 145 -2.2 0 0.0 220 -0.6 12 69
219 A 221 PHE F E E BHL - 144 244 -105.4 114.3 -178.7 -171.3 11.8 151.8 244 -3.1 244 -3.1 217 -0.6 0 0.0 11 73
220 A 222 ASN N E E BHL - 143 243 -113.3 138.7 176.0 -171.4 12.6 150.8 143 -2.5 143 -2.2 218 -0.6 0 0.0 11 68
221 A 223 ILE I E E BHL - 142 242 -122.8 132.5 176.5 -155.6 11.0 170.2 242 -2.5 242 -3.1 0 0.0 223 -0.7 11 64
222 A 224 ILE I E E BHL - 141 241 -107.1 105.1 -178.6 -165.8 15.9 156.1 141 -3.0 141 -1.8 0 0.0 224 -0.7 11 50
223 A 225 PHE F E E BHL - 140 240 -98.9 111.2 -179.6 -171.8 4.5 145.3 240 -2.8 240 -2.6 221 -0.7 0 0.0 13 55
224 A 226 THR T E E BHL - 139 239 -106.8 127.2 179.4 -164.9 4.9 152.1 139 -2.7 139 -2.0 222 -0.7 0 0.0 11 43
225 A 227 GLN Q E E BHL - 138 238 -111.1 128.5 -179.5 -165.9 2.7 159.0 238 -3.1 238 -2.1 0 0.0 227 -0.5 11 43
226 A 228 LYS K E E BHL - 137 237 -119.0 118.8 -178.0 -167.1 2.1 164.4 137 -2.7 137 -2.3 0 0.0 228 -0.7 11 31
227 A 229 ARG R E E BHL - 136 236 -112.3 111.6 -180.0 -168.9 7.3 153.1 236 -2.1 236 -1.9 225 -0.5 0 0.0 10 29
228 A 230 HIS H e - 0 0 -88.6 169.6 168.4 -177.7 9.2 110.4 135 -4.1 0 0.0 226 -0.7 0 0.0 10 23
229 A 231 ASP D t > T - 0 0 -166.9 121.3 176.3 -128.0 29.9 135.1 0 0.0 233 -0.9 0 0.0 231 -0.7 9 17
230 A 232 ALA A T T 4 TS+ 0 0 -70.2 110.6 -169.8 76.2 85.8 130.5 0 0.0 0 0.0 0 0.0 0 0.0 5 15
231 A 233 GLU E T T 4 TS+ 0 0 -178.0 -88.0 177.4 1.3 111.9 102.5 229 -0.7 0 0.0 0 0.0 0 0.0 5 10
232 A 234 THR T T T 4 TS- 0 0 -97.4 -20.8 178.0 -126.7 97.5 53.5 0 0.0 0 0.0 0 0.0 0 0.0 5 10
233 A 235 ASN N t < T + 0 0 82.2 21.8 178.8 141.3 58.8 51.7 229 -0.9 0 0.0 0 0.0 0 0.0 7 13
234 A 236 ILE I - 0 0 -95.0 130.8 176.1 -147.7 41.6 139.5 0 0.0 0 0.0 0 0.0 0 0.0 7 16
235 A 237 THR T - 0 0 -93.7 135.0 177.5 -144.9 15.3 146.8 0 0.0 0 0.0 0 0.0 0 0.0 8 21
236 A 238 THR T E E B L - 0 227 -96.4 152.8 -179.8 -145.8 10.8 136.5 227 -1.9 227 -2.1 0 0.0 0 0.0 7 24
237 A 239 GLU E E E B L - 0 226 -126.1 137.7 177.4 -174.1 15.5 165.3 0 0.0 0 0.0 0 0.0 0 0.0 8 27
238 A 240 LYS K E E B L - 0 225 -125.6 120.3 180.0 -169.2 12.2 175.5 225 -2.1 225 -3.1 0 0.0 0 0.0 8 33
239 A 241 VAL V E E B L - 0 224 -118.3 122.3 179.2 -177.3 4.7 163.4 0 0.0 0 0.0 0 0.0 0 0.0 10 35
240 A 242 A SER S E E B L - 0 223 -118.3 137.0 178.7 -147.5 15.4 161.7 223 -2.6 223 -2.8 0 0.0 242 -0.5 13 45
241 A 243 LYS K E E B L - 0 222 -105.3 124.6 -179.0 -161.7 10.4 153.0 0 0.0 89 -2.7 0 0.0 243 -0.6 12 59
242 A 244 ILE I E E BgL - 89 221 -109.2 120.2 -179.3 -169.4 5.7 160.7 221 -3.1 221 -2.5 240 -0.5 244 -0.6 12 68
243 A 245 A SER S E E BgL - 90 220 -116.0 115.1 -178.9 -174.5 4.9 159.2 89 -2.5 91 -2.5 241 -0.6 245 -0.6 11 70
244 A 246 LEU L E E BgL - 91 219 -112.6 113.1 -174.6 -166.6 13.5 157.8 219 -3.1 219 -3.1 242 -0.6 0 0.0 12 70
245 A 247 VAL V E E BgL - 92 218 -112.5 131.9 178.6 -173.4 21.4 149.3 91 -3.3 93 -2.3 243 -0.6 247 -0.6 13 74
246 A 248 ASP D E E BgL - 93 217 -119.8 99.6 -176.8 -153.2 27.9 155.3 217 -2.6 217 -2.5 0 0.0 0 0.0 13 64
247 A 249 LEU L e - 0 0 -76.4 159.8 177.5 -103.5 16.2 102.8 93 -1.6 0 0.0 245 -0.6 0 0.0 13 70
248 A 250 ALA A - 0 0 -71.5 164.8 -179.7 -68.9 61.7 105.9 0 0.0 0 0.0 0 0.0 0 0.0 11 66
249 A 251 GLY G - 0 0 -63.1 125.9 -178.3 -142.8 34.4 114.1 213 -2.9 0 0.0 0 0.0 0 0.0 11 59
250 A 252 SER S 0 0 -66.3 -6.3 176.6 999.9 999.9 58.2 95 -2.1 0 0.0 0 0.0 0 0.0 10 55
251!A 253 GLU E 0 0 162.3 999.9 999.9 999.9 999.9 153.6 0 0.0 97 -3.1 0 0.0 0 0.0 6 44
252!A 269 ALA A 0 0 999.9 67.2 -177.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 26
253 A 270 ASN N t > T - 0 0 -148.5 151.4 -173.5 -116.0 999.9 170.7 0 0.0 256 -0.7 0 0.0 0 0.0 6 22
254 A 271 ILE I T T 3 TS+ 0 0 -61.5 -48.1 -176.4 25.0 105.9 32.4 0 0.0 0 0.0 0 0.0 0 0.0 8 32
255 A 272 ASN N T h > 3 TS+ 0 0 -107.9 18.8 -178.9 109.4 86.4 74.5 0 0.0 259 -2.4 0 0.0 0 0.0 8 35
256 A 273 LYS K H H > < TS+ 0 0 -57.1 -58.1 -179.6 47.5 78.5 16.6 253 -0.7 260 -3.3 0 0.0 0 0.0 12 37
257 A 274 SER S H H > TS+ 0 0 -51.9 -44.7 -178.5 45.5 115.5 28.0 0 0.0 261 -2.2 0 0.0 0 0.0 12 51
258 A 275 LEU L H H > TS+ 0 0 -69.9 -41.6 179.3 43.9 115.9 26.4 0 0.0 262 -1.7 0 0.0 0 0.0 10 58
259 A 276 THR T H H X TS+ 0 0 -70.2 -39.4 179.1 49.4 115.8 23.7 255 -2.4 263 -1.8 0 0.0 0 0.0 8 43
260 A 277 THR T H H X TS+ 0 0 -66.1 -36.5 178.9 55.7 106.7 29.4 256 -3.3 264 -2.5 0 0.0 0 0.0 13 43
261 A 278 LEU L H H X TS+ 0 0 -61.0 -41.8 179.4 52.1 106.2 24.1 257 -2.2 265 -2.4 0 0.0 0 0.0 10 59
262 A 279 GLY G H H X TS+ 0 0 -59.1 -45.1 -179.9 47.7 110.3 23.2 258 -1.7 266 -2.5 0 0.0 0 0.0 9 54
263 A 280 LYS K H H X TS+ 0 0 -64.1 -39.8 -179.9 50.5 111.3 30.0 259 -1.8 267 -2.7 0 0.0 0 0.0 10 42
264 A 281 VAL V H H X TS+ 0 0 -66.0 -42.3 -179.9 46.6 112.0 25.3 260 -2.5 268 -2.3 0 0.0 0 0.0 13 47
265 A 282 ILE I H H X TS+ 0 0 -65.1 -46.1 179.5 47.8 114.3 22.6 261 -2.4 269 -2.5 0 0.0 0 0.0 13 59
266 A 283 SER S H H X TS+ 0 0 -60.5 -46.8 -179.7 48.1 113.2 21.0 262 -2.5 270 -1.8 0 0.0 0 0.0 11 35
267 A 284 ALA A H H X TS+ 0 0 -62.3 -42.0 -179.8 47.4 113.1 27.4 263 -2.7 271 -2.9 0 0.0 0 0.0 10 35
268 A 285 LEU L H H X TS+ 0 0 -67.5 -41.8 -179.7 51.1 110.4 25.4 264 -2.3 272 -0.8 0 0.0 0 0.0 12 40
269 A 286 ALA A H H < TS+ 0 0 -63.2 -33.5 180.0 44.6 115.6 32.3 265 -2.5 0 0.0 0 0.0 0 0.0 12 38
270 A 287 GLU E H H < TS+ 0 0 -73.4 -53.7 -179.0 57.7 106.2 18.7 266 -1.8 0 0.0 0 0.0 0 0.0 6 28
271 A 288 MET M H H < T 0 0 -53.6 -17.8 -177.1 999.9 999.9 52.2 267 -2.9 0 0.0 0 0.0 0 0.0 5 25
272!A 289 ASP D h < T 0 0 -120.3 999.9 999.9 999.9 999.9 132.4 268 -0.8 0 0.0 0 0.0 0 0.0 7 26
273!A 303 PHE F 0 0 999.9 161.9 -177.2 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 23
274 A 304 ILE I - 0 0 -109.9 120.3 -179.7 -134.7 999.9 152.9 0 0.0 276 -2.6 0 0.0 0 0.0 7 35
275 A 305 PRO P g > T + 0 0 -71.1 61.4 178.7 142.6 50.6 108.3 0 0.0 278 -0.5 0 0.0 0 0.0 9 34
276 A 306 TYR Y G G > TS+ 0 0 -66.0 -45.6 -177.6 51.5 70.9 19.2 274 -2.6 279 -1.1 0 0.0 0 0.0 10 38
277 A 307 ARG R G G 3 TS+ 0 0 -70.0 -8.8 -179.0 86.8 84.4 57.4 0 0.0 0 0.0 0 0.0 0 0.0 7 39
278 A 308 ASP D G G < TS+ 0 0 -71.1 -7.1 177.5 25.5 99.4 54.9 275 -0.5 0 0.0 0 0.0 0 0.0 10 35
279 A 309 SER S S h > < TS- 0 0 -152.7 153.1 -179.5 -123.8 74.5 171.9 276 -1.1 283 -1.5 0 0.0 0 0.0 11 45
280 A 310 VAL V H H > TS+ 0 0 -65.7 -35.0 179.8 52.4 110.5 31.3 0 0.0 284 -2.3 0 0.0 0 0.0 11 56
281 A 311 LEU L H H > TS+ 0 0 -65.8 -57.1 -179.4 41.1 112.4 12.6 0 0.0 285 -2.3 0 0.0 0 0.0 11 68
282 A 312 THR T H H 4 TS+ 0 0 -63.8 -23.8 179.5 55.8 114.6 40.0 0 0.0 0 0.0 0 0.0 0 0.0 15 60
283 A 313 TRP W H H < > TS+ 0 0 -71.9 -53.0 179.9 41.2 110.7 15.2 279 -1.5 286 -1.4 0 0.0 0 0.0 11 47
284 A 314 LEU L H H < 3 TS+ 0 0 -63.4 -33.0 -179.5 46.1 119.9 34.6 280 -2.3 0 0.0 0 0.0 0 0.0 10 64
285 A 315 LEU L T h X > TS+ 0 0 -96.0 15.5 -179.0 118.2 76.6 78.0 281 -2.3 289 -1.3 0 0.0 288 -1.2 8 65
286 A 316 ARG R G G 4 X>TS+ 0 0 -48.3 -54.2 -179.7 45.6 77.1 23.0 283 -1.4 289 -1.0 0 0.0 291 -0.7 10 57
287 A 317 GLU E G G 4 35TS+ 0 0 -67.7 -15.6 178.7 55.3 109.5 46.4 0 0.0 0 0.0 0 0.0 0 0.0 9 53
288 A 318 ASN N G G 4 <5TS+ 0 0 -86.8 -18.8 -179.6 57.4 104.2 48.2 285 -1.2 290 -0.6 0 0.0 0 0.0 13 61
289 A 319 LEU L T g < <5TS- 0 0 -112.6 74.1 -179.9 -21.6 139.9 130.3 285 -1.3 0 0.0 286 -1.0 0 0.0 12 69
290 A 320 GLY G T T 5TS+ 0 0 114.6 -20.4 -179.4 93.8 119.5 84.1 288 -0.6 327 -0.9 0 0.0 0 0.0 12 50
291 A 321 GLY G S t T - 24 0 -77.9 144.2 177.3 -135.0 68.9 111.8 0 0.0 307 -1.5 0 0.0 0 0.0 13 48
305 A 335 ASP D G T > TS+ 0 0 -57.0 -38.3 -179.5 64.9 103.3 35.0 23 -1.7 308 -1.6 0 0.0 0 0.0 11 43
306 A 336 ILE I G T 3 TS+ 0 0 -63.9 -19.2 -179.1 51.6 100.0 46.9 0 0.0 0 0.0 0 0.0 0 0.0 6 39
307 A 337 ASN N G h > < TS+ 0 0 -106.1 22.0 -179.1 123.6 72.0 82.2 304 -1.5 311 -2.8 0 0.0 0 0.0 9 47
308 A 338 TYR Y H H > < TS+ 0 0 -46.6 -59.0 -179.1 45.8 72.9 25.2 305 -1.6 312 -3.0 0 0.0 0 0.0 11 45
309 A 339 ASP D H H > TS+ 0 0 -55.5 -46.2 -179.7 45.2 116.4 24.7 0 0.0 313 -2.1 0 0.0 0 0.0 6 37
310 A 340 A GLU E H H > TS+ 0 0 -65.5 -40.9 -179.2 47.8 114.7 26.3 0 0.0 314 -1.9 0 0.0 0 0.0 9 43
311 A 341 THR T H H X TS+ 0 0 -68.6 -39.8 178.5 51.9 110.3 26.6 307 -2.8 315 -2.5 0 0.0 0 0.0 12 56
312 A 342 LEU L H H X TS+ 0 0 -61.3 -43.2 179.5 51.1 109.4 21.4 308 -3.0 316 -2.3 0 0.0 0 0.0 9 50
313 A 343 SER S H H X TS+ 0 0 -61.4 -40.5 179.4 49.2 109.7 26.8 309 -2.1 317 -2.2 0 0.0 0 0.0 8 46
314 A 344 THR T H H X TS+ 0 0 -65.1 -45.3 179.9 50.1 110.8 19.8 310 -1.9 318 -2.3 0 0.0 0 0.0 15 60
315 A 345 LEU L H H X TS+ 0 0 -59.9 -39.3 178.9 49.6 111.5 28.0 311 -2.5 319 -1.7 0 0.0 0 0.0 11 60
316 A 346 ARG R H H X TS+ 0 0 -69.7 -36.7 178.6 47.2 111.5 30.8 312 -2.3 320 -1.6 0 0.0 0 0.0 8 49
317 A 347 TYR Y H H X TS+ 0 0 -74.2 -29.1 -179.8 50.8 111.9 31.6 313 -2.2 321 -2.0 0 0.0 0 0.0 11 56
318 A 348 ALA A H H X TS+ 0 0 -73.6 -31.4 179.0 55.0 107.0 32.9 314 -2.3 322 -1.4 0 0.0 0 0.0 13 65
319 A 349 ASP D H H < TS+ 0 0 -66.9 -38.6 178.4 47.0 109.6 26.7 315 -1.7 0 0.0 0 0.0 0 0.0 12 52
320 A 350 ARG R H H < > TS+ 0 0 -69.7 -41.1 -179.7 54.7 107.5 27.0 316 -1.6 323 -1.6 0 0.0 0 0.0 11 46
321 A 351 ALA A H H < > TS+ 0 0 -60.5 -34.8 178.9 66.7 96.8 31.4 317 -2.0 324 -2.0 0 0.0 0 0.0 13 56
322 A 352 LYS K T h < 3 TS+ 0 0 -55.8 -26.2 -179.0 55.2 98.2 41.3 318 -1.4 0 0.0 0 0.0 0 0.0 12 51
323 A 353 GLN Q T T < TS+ 0 0 -87.7 -8.9 179.6 104.4 84.2 58.4 320 -1.6 0 0.0 0 0.0 0 0.0 11 40
324 A 354 ILE I e < T - 0 0 -74.8 142.0 177.1 -165.9 51.9 120.0 321 -2.0 4 -2.2 0 0.0 0 0.0 14 47
325 A 355 ARG R E E AA - 3 0 -131.6 125.3 -179.8 -149.0 7.1 172.9 0 0.0 0 0.0 0 0.0 0 0.0 10 39
326 A 356 ASN N E E AA - 2 0 -88.9 160.7 -179.8 -122.4 17.3 121.5 2 -2.4 2 -1.1 0 0.0 328 -0.8 16 41
327 A 357 THR T 0 0 -108.6 92.4 -177.8 999.9 999.9 142.7 290 -0.9 0 0.0 291 -0.5 0 0.0 9 28
328!A 358 VAL V 0 0 -105.5 999.9 999.9 999.9 999.9 66.8 326 -0.8 0 0.0 0 0.0 0 0.0 8 31
329!A 362 HIS H 0 0 999.9 86.3 -177.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 8
330 A 363 HIS H - 0 0 -104.6 176.5 -177.7 -96.1 999.9 116.0 0 0.0 0 0.0 0 0.0 0 0.0 3 6
331 A 364 HIS H - 0 0 -97.5 147.9 177.0 -103.2 36.3 132.3 0 0.0 0 0.0 0 0.0 0 0.0 4 4
332 A 365 HIS H 0 0 -66.0 126.3 -179.2 999.9 999.9 119.5 0 0.0 0 0.0 0 0.0 0 0.0 3 4
333 A 366 HIS H 0 0 -83.9 999.9 999.9 999.9 999.9 48.2 0 0.0 0 0.0 0 0.0 0 0.0 2 4
1i6iA.pdb
1I6I TRANSPORT PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EE EEEEEE HHHHHTT B EEEETTEEEE SS TTS EEEE SEEEE SS TTSTT HHHHHHHHHHHHHHHHHHT EEEEEEESTTSS Kabs/Sand
chirality ----+--------+++++----+++-+--+------+++++------+-+---+++--++-++---+++++++++++++++++-+-------+--++-+ chirality
bends SSSSSS SS SS SS S SS SSSSS SSSSSSSSSSSSSSSSSSS SSSSS bends
turns TTTTTTTTT TTTT TTTT TTTTTTT TTTTTTTTTTTTTTTTTTTTT TTTTT turns
5-turns >5555< >>555<< >5555< 5-turns
3-turns >>3<< >33< >33< >33X33< >33< >33< 3-turns
bridge-2 cccc EEEE ggggg bridge-2
bridge-1 AA bbbbbb A DDDD DDDD EEEE cccc fffffff bridge-1
sheets AA BBBBBB CCCC CCCC CCCC BBBB BBBBBBB sheets
4-turns >>>4<<< >>>>X<>XXXXX<<<< > 4-turns
summary EEeEEEEEEe hHHHHHhTt BeEEEETeEEEEe SStTTt EEEEeSEEEEeSStTTtTTt hHHHHHHHHHHHHHHHHHHhteEEEEEEEeTTth summary
sequence GASVKVAVRVRPFNSREMSRDSKCIIQMSGSTTTIVNPKQPKETPKSFSFDYSYWSHTSPEDINYASQKQVYRDIGEEMLQHAFEGYNVCIFAYGQTGAG sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHTB SSTT B HHHHHHHHHHHHHHT TTEEEEEEEEEEEEETTEEEETT TT B EEEETTTEEEETT EE SHHHHHHHHHHHHHT Kabs/Sand
chirality ++++++--++-++--+++++++++++++++++-+++-----+-+--+--+----+++++-+--------++--+---+------+-++++++++++++++ chirality
bends SSSSSS SSSS SSSSSSSSSSSSSSS SS SSS SS S SSS SS SSSSSSSSSSSSSSS bends
turns TTTTTTT TTTT TTTTTTTTTTTTTTTTT TTTT TTTT TTTTTTT TTTTT TTTT TTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33< >33X33< >33< >>3< 3-turns
bridge-2 II JJJJ C bridge-2
bridge-1 B B HHHHHHHHHHHHH JJJJ C KKKK KKKK II bridge-1
sheets BBBBBBBBBBBBB BBBB DDDD DDDD BB sheets
4-turns >>4<<< >>>>XXXXXXXX<<<< >444< >>>>XXXXXXX<<<< 4-turns
summary HHHHHhB StTTtBhHHHHHHHHHHHHHHht tTeEEEEEEEEEEEEEeTEEEEeTtTTt BeEEEETTTEEEEeTt EEe hHHHHHHHHHHHHHh summary
sequence KSYTMMGKQEKDQQGIIPQLCEDLFSRINDTTNDNMSYSVEVSYMEIYCERVRDLLNPKNKGNLRVREHPLLGPYVEDLSKLAVTSYNDIQDLMDSGNKA sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand S B GGGTTSB TTEEEEEEEEEEEEE TTT EEEEEEEEEEE TTHHHHHHHHHHHHHHHH GGGSHHHHHTGGGTTSSSEEEEEEE Kabs/Sand
chirality ----++--+---++---------------++-+---------------- -+++++++++++++++++ -++++-+++++++++-+-+-------- chirality
bends S SSSSSSS SS SSS SSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSS bends
turns T TTTTTTT TTTT TTTTT TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns < >>3X<3< >33< >33< >>3<< >3>X3<< 3-turns
bridge-2 LLLLLLLLLLL LLLLLLLLLLL fffffff bridge-2
bridge-1 D D HHHHHHHHHHHHH ggggg bbbbb bridge-1
sheets BBBBBBBBBBBBB BBBBBBBBBBB BBBBBBB sheets
4-turns >444< >>>>XXXXXXXXXX<<<< >>>4<>3<< >>3<< 3-turns
bridge-2 bridge-2
bridge-1 b A AA bridge-1
sheets B AA sheets
4-turns >>>>XXXXXXXX<<<< 4-turns
summary E BTThHHHHHHHHHHHHHHhTeEE summary
sequence LSPADINYDETLSTLRYADRAKQIRNTVHHHHH sequence
310 320 330
Messages
chain break between 251(A 253 ) and 252(A 269 )
chain break between 272(A 289 ) and 273(A 303 )
chain break between 328(A 358 ) and 329(A 362 )