Secondary structure calculation program - copyright by David Keith Smith, 1989
1g291.pdb
1G29 SUGAR BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 372
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 1 1 MET M e 0 0 999.9 101.2 178.3 999.9 999.9 999.9 0 0.0 28 -0.5 0 0.0 0 0.0 6 23
2 1 2 ALA A E E AA - 27 0 -77.8 155.0 178.3 -131.2 999.9 117.6 0 0.0 0 0.0 0 0.0 0 0.0 9 34
3 1 3 GLY G E E A* S+ 0 0 -73.4 -43.8 179.9 6.0 92.0 25.7 26 -2.3 63 -3.2 0 0.0 0 0.0 14 45
4 1 4 VAL V E E AAB S- 26 62 -141.7 141.2 -179.6 -169.2 71.6 177.6 26 -1.7 26 -3.0 0 0.0 0 0.0 13 55
5 1 5 ARG R E E AAB - 25 61 -139.0 133.3 175.9 -170.0 10.2 176.8 61 -2.0 61 -2.7 0 0.0 0 0.0 14 54
6 1 6 LEU L E E AAB - 24 60 -115.0 133.2 179.5 -166.0 11.4 168.4 24 -2.5 24 -1.9 0 0.0 0 0.0 13 58
7 1 7 VAL V E E A*B - 0 59 -126.5 111.8 178.1 -31.6 68.5 163.7 59 -2.4 59 -1.8 0 0.0 0 0.0 11 40
8 1 8 ASP D E E A** S- 0 0 48.6 48.1 -177.9 -175.8 84.8 29.8 0 0.0 0 0.0 0 0.0 0 0.0 11 36
9 1 9 VAL V E E AA* + 22 0 -84.0 129.1 178.7 179.1 9.1 127.6 22 -2.8 22 -2.7 0 0.0 0 0.0 16 50
10 1 10 TRP W E E A*B - 0 57 -123.5 149.0 169.8 -171.1 14.1 160.1 57 -2.6 56 -2.5 0 0.0 57 -1.3 14 47
11 1 11 LYS K E E AA + 19 0 -137.7 119.3 179.6 171.8 18.9 160.2 19 -2.5 18 -2.3 0 0.0 19 -1.9 12 47
12 1 12 VAL V E E AA - 17 0 -127.0 158.6 176.5 -164.8 27.0 149.5 0 0.0 0 0.0 0 0.0 0 0.0 10 33
13 1 13 PHE F E E AA > TS- 16 0 -137.2 94.0 -178.7 -61.3 71.2 149.0 16 -2.7 16 -2.2 0 0.0 0 0.0 7 21
14 1 14 GLY G T T 3 TS- 0 0 63.9 -128.6 -179.7 -12.5 120.8 114.3 0 0.0 0 0.0 0 0.0 0 0.0 5 13
15 1 15 GLU E T T 3 TS+ 0 0 -82.9 -6.9 -179.6 93.8 121.1 59.4 0 0.0 0 0.0 0 0.0 0 0.0 5 13
16 1 16 VAL V E E AA < T - 13 0 -88.8 136.1 179.7 -158.5 61.4 136.7 13 -2.2 13 -2.7 0 0.0 18 -0.6 6 20
17 1 17 THR T E E AA + 12 0 -116.5 114.5 178.2 177.3 14.5 162.8 0 0.0 0 0.0 0 0.0 0 0.0 11 34
18 1 18 ALA A E E A* S+ 0 0 -80.9 -39.4 179.0 15.9 79.8 29.6 11 -2.3 0 0.0 16 -0.6 0 0.0 14 39
19 1 19 VAL V E E AA S- 11 0 -137.7 132.1 -175.4 -154.0 74.3 176.3 11 -1.9 11 -2.5 0 0.0 21 -0.6 16 51
20 1 20 ARG R E E A* - 0 0 -117.8 112.6 177.0 -45.8 60.7 156.2 216 -3.2 0 0.0 0 0.0 0 0.0 11 43
21 1 21 GLU E E E A* S- 0 0 38.0 58.2 -177.3 -178.1 75.8 32.5 19 -0.6 0 0.0 0 0.0 0 0.0 10 38
22 1 22 MET M E E AA - 9 0 -92.6 128.8 177.3 -177.6 15.6 136.9 9 -2.7 9 -2.8 0 0.0 0 0.0 12 48
23 1 23 SER S E E A* + 0 0 -122.2 127.8 -177.4 164.5 13.9 171.6 0 0.0 0 0.0 0 0.0 0 0.0 9 46
24 1 24 LEU L E E AA - 6 0 -147.9 132.7 178.5 -159.4 24.0 169.2 6 -1.9 6 -2.5 0 0.0 26 -0.6 7 53
25 1 25 GLU E E E AA - 5 0 -118.8 113.4 -178.6 -161.8 10.3 163.4 0 0.0 27 -0.6 0 0.0 0 0.0 9 49
26 1 26 VAL V E E AA - 4 0 -95.2 120.7 -178.8 -123.8 23.0 149.2 4 -3.0 3 -2.3 24 -0.6 4 -1.7 11 51
27 1 27 LYS K E E AA > T - 2 0 -68.4 143.0 179.7 -97.1 30.4 110.3 25 -0.6 30 -2.2 0 0.0 0 0.0 10 40
28 1 28 ASP D T e 3 TS+ 0 0 -59.0 128.8 179.7 9.5 109.4 112.9 1 -0.5 0 0.0 0 0.0 0 0.0 10 40
29 1 29 GLY G T T 3 TS+ 0 0 81.7 -0.3 -176.8 127.2 98.3 66.5 0 0.0 0 0.0 0 0.0 0 0.0 9 40
30 1 30 GLU E e < T - 0 0 -93.8 159.0 178.4 -126.5 61.7 122.2 27 -2.2 193 -2.6 0 0.0 32 -0.8 12 49
31 1 31 PHE F E E Bc - 193 0 -100.6 100.8 -178.3 -170.0 34.7 154.1 0 0.0 208 -2.8 0 0.0 209 -1.6 14 55
32 1 32 MET M E E Bcd - 194 209 -99.4 131.6 178.3 -154.6 7.8 147.5 193 -3.2 195 -2.6 30 -0.8 0 0.0 14 65
33 1 33 ILE I E E Bcd - 195 210 -102.9 137.4 172.2 -154.5 6.8 146.7 209 -2.2 211 -3.4 0 0.0 35 -0.7 15 70
34 1 34 LEU L E E Bcd - 196 211 -107.9 114.1 -176.1 -179.6 29.4 164.2 195 -2.6 197 -2.4 0 0.0 0 0.0 13 73
35 1 35 LEU L E E Bcd + 197 212 -119.3 134.5 175.1 117.8 15.4 159.9 211 -2.3 213 -2.6 33 -0.7 0 0.0 15 65
36 1 36 GLY G e - 0 0 -179.4 166.8 179.7 -83.7 56.5 160.2 197 -1.1 0 0.0 0 0.0 0 0.0 12 54
37 1 37 PRO P S t > TS- 0 0 -73.6 173.7 -177.1 -61.9 71.3 97.4 0 0.0 40 -1.5 0 0.0 0 0.0 8 41
38 1 38 SER S T T 3 TS+ 0 0 -63.4 141.7 -177.8 22.2 124.7 108.1 0 0.0 0 0.0 0 0.0 0 0.0 6 27
39 1 39 GLY G T T 3 TS+ 0 0 81.6 9.3 -174.7 122.4 83.1 59.7 0 0.0 0 0.0 0 0.0 0 0.0 9 33
40 1 40 CYS C S t < TS- 0 0 -82.9 -6.3 179.1 -111.6 83.1 54.1 37 -1.5 216 -1.4 0 0.0 0 0.0 13 43
41 1 41 GLY G S h > TS+ 0 0 92.9 5.0 -179.8 128.4 78.8 60.3 0 0.0 45 -2.4 0 0.0 0 0.0 14 49
42 1 42 LYS K H H > TS+ 0 0 -62.0 -40.3 -178.5 44.5 75.8 24.6 0 0.0 46 -2.1 0 0.0 0 0.0 13 58
43 1 43 THR T H H > TS+ 0 0 -72.1 -41.3 178.8 51.9 112.6 24.0 0 0.0 47 -3.0 0 0.0 0 0.0 8 54
44 1 44 THR T H H > TS+ 0 0 -60.1 -39.7 177.4 51.8 108.7 23.8 0 0.0 48 -2.2 0 0.0 0 0.0 11 57
45 1 45 THR T H H X TS+ 0 0 -61.8 -47.8 179.5 45.8 111.4 17.0 41 -2.4 49 -1.8 0 0.0 0 0.0 9 73
46 1 46 LEU L H H X TS+ 0 0 -61.9 -41.9 178.8 54.6 110.7 22.9 42 -2.1 50 -2.5 0 0.0 0 0.0 13 71
47 1 47 ARG R H H X >TS+ 0 0 -59.8 -36.2 178.1 49.1 107.8 29.5 43 -3.0 51 -2.1 0 0.0 52 -2.0 10 57
48 1 48 MET M H H < 5TS+ 0 0 -72.9 -29.5 178.3 50.3 110.4 34.0 44 -2.2 0 0.0 0 0.0 0 0.0 11 65
49 1 49 ILE I H H < 5TS+ 0 0 -73.1 -35.4 -179.9 45.3 114.3 27.5 45 -1.8 0 0.0 0 0.0 0 0.0 9 73
50 1 50 ALA A H H < 5TS- 0 0 -73.5 -32.8 -178.3 -120.6 113.2 33.0 46 -2.5 0 0.0 0 0.0 0 0.0 12 55
51 1 51 GLY G T h < 5TS+ 0 0 101.7 11.1 178.1 121.0 80.4 55.3 47 -2.1 0 0.0 0 0.0 0 0.0 12 49
52 1 52 LEU L S t TS- 4 65 -117.5 113.2 -177.7 -39.0 79.4 171.4 65 -2.3 65 -2.2 0 0.0 0 0.0 16 55
63 1 63 GLY G T e 3 TS- 0 0 65.6 -138.6 -178.6 -28.7 125.1 114.7 3 -3.2 0 0.0 61 -0.6 0 0.0 10 40
64 1 64 ASP D T T 3 TS+ 0 0 -93.6 9.6 -178.1 103.8 117.1 67.2 0 0.0 0 0.0 0 0.0 0 0.0 6 30
65 1 65 LYS K E E AE < T - 62 0 -96.8 130.7 175.7 -137.9 67.5 140.7 62 -2.2 62 -2.3 0 0.0 67 -0.7 6 35
66 1 66 LEU L E E AE + 61 0 -80.6 114.8 -178.6 172.8 28.0 136.6 0 0.0 0 0.0 0 0.0 0 0.0 10 42
67 1 67 VAL V E E A* + 0 0 -102.9 -13.3 177.6 22.2 61.0 51.6 60 -2.9 76 -3.1 65 -0.7 0 0.0 12 45
68 1 68 ALA A E E AEF + 60 75 -154.9 130.3 172.9 143.7 51.6 161.0 60 -1.3 60 -2.1 0 0.0 0 0.0 13 47
69 1 69 ASP D E E A F>>T - 0 74 -160.6 91.9 -178.7 -166.1 24.1 126.2 74 -2.5 74 -2.2 0 0.0 72 -1.9 14 38
70 1 70 PRO P G G >5TS+ 0 0 -54.7 -33.3 -179.4 62.7 85.9 31.8 0 0.0 73 -1.7 0 0.0 0 0.0 13 30
71 1 71 GLU E G G 35TS+ 0 0 -65.0 -18.9 -179.5 42.2 109.5 44.3 0 0.0 0 0.0 0 0.0 0 0.0 6 22
72 1 72 LYS K G G <5TS- 0 0 -108.8 10.5 -178.9 -112.0 116.3 78.2 69 -1.9 0 0.0 0 0.0 0 0.0 5 19
73 1 73 GLY G T g <5T + 0 0 64.1 25.6 -179.9 148.7 68.8 38.0 70 -1.7 75 -0.6 0 0.0 0 0.0 6 18
74 1 74 ILE I E E AF T - 0 0 -68.1 161.7 -177.9 -98.4 27.8 106.3 0 0.0 80 -1.2 0 0.0 0 0.0 8 31
78 1 78 PRO P G G > TS+ 0 0 -44.0 -51.1 -177.0 52.2 119.3 33.7 0 0.0 81 -1.8 0 0.0 0 0.0 9 37
79 1 79 LYS K G G 3 TS+ 0 0 -64.6 -26.6 178.9 53.2 109.0 34.8 0 0.0 0 0.0 0 0.0 0 0.0 6 33
80 1 80 ASP D G G < TS+ 0 0 -87.0 1.4 178.0 87.1 94.2 66.8 77 -1.2 0 0.0 0 0.0 0 0.0 6 31
81 1 81 ARG R S g < TS- 0 0 -99.0 153.4 -177.8 -114.8 89.5 139.1 78 -1.8 83 -2.0 0 0.0 0 0.0 11 41
82 1 82 ASP D S e S+ 0 0 -86.6 63.2 -176.4 114.9 78.3 113.1 0 0.0 159 -2.1 0 0.0 160 -1.0 9 45
83 1 83 ILE I E E Bg - 160 0 -131.5 157.0 176.8 -147.3 55.9 151.0 81 -2.0 0 0.0 0 0.0 0 0.0 13 52
84 1 84 ALA A E E Bg - 161 0 -127.6 118.1 177.3 -154.8 12.4 171.4 160 -2.2 162 -2.9 0 0.0 86 -0.5 9 51
85 1 85 MET M E E Bg - 162 0 -92.3 128.8 -179.2 -154.1 10.7 147.3 0 0.0 87 -0.6 0 0.0 0 0.0 8 52
86 1 86 VAL V E E Bg + 163 0 -107.5 119.0 178.8 126.4 36.4 156.5 162 -3.3 164 -0.5 84 -0.5 0 0.0 10 54
87 1 87 PHE F - 0 0 -139.2 -140.8 -179.7 -20.6 60.0 112.9 85 -0.6 0 0.0 0 0.0 0 0.0 8 43
88 1 88 GLN Q S S S- 0 0 -37.3 -92.2 178.8 -51.7 103.6 23.6 0 0.0 0 0.0 0 0.0 0 0.0 6 30
89 1 89 SER S - 0 0 -161.4 110.1 -176.3 -143.3 68.3 139.5 0 0.0 0 0.0 0 0.0 0 0.0 9 34
90 1 90 TYR Y - 0 0 -80.3 -175.1 -177.5 -46.4 39.9 87.2 0 0.0 92 -2.0 0 0.0 0 0.0 7 34
91 1 91 ALA A - 0 0 -50.4 71.5 178.7 -175.9 57.1 104.0 0 0.0 93 -0.5 0 0.0 0 0.0 5 35
92 1 92 LEU L - 0 0 -76.1 120.3 179.7 -127.1 26.6 128.6 90 -2.0 0 0.0 0 0.0 0 0.0 10 39
93 1 93 TYR Y t > T - 0 0 -70.8 121.0 -179.7 -140.2 22.1 123.8 91 -0.5 96 -0.8 0 0.0 0 0.0 7 35
94 1 94 PRO P T T 3 TS+ 0 0 -78.4 157.8 -179.4 31.4 86.0 116.0 0 0.0 0 0.0 0 0.0 0 0.0 8 30
95 1 95 HIS H T T 3 TS+ 0 0 67.1 17.2 179.7 106.0 103.3 43.3 0 0.0 0 0.0 0 0.0 0 0.0 6 22
96 1 96 MET M S t < TS- 0 0 -130.5 134.1 -179.9 -124.7 71.9 175.5 93 -0.8 0 0.0 0 0.0 0 0.0 10 28
97 1 97 THR T h > T - 0 0 -70.1 168.3 177.9 -106.0 29.5 103.6 0 0.0 101 -2.7 0 0.0 0 0.0 12 39
98 1 98 VAL V H H > TS+ 0 0 -59.1 -43.4 -177.1 53.4 122.3 21.6 135 -1.8 102 -2.5 132 -0.6 0 0.0 13 56
99 1 99 TYR Y H H > TS+ 0 0 -60.2 -46.1 -179.0 43.2 111.7 24.7 133 -2.5 103 -2.0 0 0.0 0 0.0 11 53
100 1 100 ASP D H H > TS+ 0 0 -70.7 -36.0 176.8 56.3 110.1 29.4 0 0.0 104 -2.1 0 0.0 0 0.0 8 49
101 1 101 ASN N H H < TS+ 0 0 -59.9 -44.9 179.6 41.6 112.8 21.9 97 -2.7 0 0.0 0 0.0 0 0.0 12 50
102 1 102 ILE I H H < TS+ 0 0 -70.3 -35.0 -179.4 48.8 117.2 28.9 98 -2.5 0 0.0 0 0.0 0 0.0 13 59
103 1 103 ALA A H H X > TS+ 0 0 -75.5 -24.2 -175.1 90.5 86.6 42.4 99 -2.0 107 -1.8 0 0.0 106 -0.8 13 51
104 1 104 PHE F H H X 3 TS+ 0 0 -43.5 -53.1 179.8 49.1 85.0 32.6 100 -2.1 108 -1.3 0 0.0 0 0.0 9 43
105 1 105 PRO P H H > 3 TS+ 0 0 -57.6 -39.4 179.5 47.5 113.5 26.7 0 0.0 109 -1.7 0 0.0 0 0.0 10 41
106 1 106 LEU L H H 4 <>TS+ 0 0 -70.9 -26.3 179.0 62.4 104.0 37.2 103 -0.8 111 -2.3 0 0.0 0 0.0 11 34
107 1 107 LYS K H H < 5TS+ 0 0 -66.9 -29.8 178.6 46.5 106.1 36.9 103 -1.8 0 0.0 0 0.0 0 0.0 9 29
108 1 108 LEU L H H < 5TS+ 0 0 -76.6 -47.3 179.6 54.3 106.9 22.1 104 -1.3 0 0.0 0 0.0 0 0.0 7 19
109 1 109 ARG R T h < 5TS- 0 0 -70.4 12.3 178.7 -124.3 112.6 73.7 105 -1.7 0 0.0 0 0.0 0 0.0 6 23
110 1 110 LYS K T T 5T + 0 0 44.2 46.8 179.0 177.6 43.9 34.2 0 0.0 0 0.0 0 0.0 0 0.0 6 19
111 1 111 VAL V t > T - 0 0 -53.3 137.8 -179.5 -122.5 30.9 103.8 0 0.0 116 -2.9 0 0.0 115 -0.5 6 18
113 1 113 ARG R H H > 3 TS+ 0 0 -51.3 -35.3 178.7 58.4 112.4 35.7 0 0.0 117 -2.7 0 0.0 0 0.0 6 23
114 1 114 GLN Q H H > 3 TS+ 0 0 -59.4 -50.1 179.8 39.7 112.2 17.7 0 0.0 118 -2.1 0 0.0 0 0.0 6 18
115 1 115 GLU E H H > < TS+ 0 0 -67.1 -42.7 179.7 54.0 113.6 27.3 112 -0.5 119 -2.9 0 0.0 0 0.0 8 26
116 1 116 ILE I H H X TS+ 0 0 -57.4 -49.2 -179.3 47.9 110.2 15.6 112 -2.9 120 -3.2 0 0.0 0 0.0 12 34
117 1 117 ASP D H H X TS+ 0 0 -57.3 -49.0 -179.0 47.3 112.8 22.8 113 -2.7 121 -2.7 0 0.0 0 0.0 9 35
118 1 118 GLN Q H H X TS+ 0 0 -60.5 -47.7 -179.6 45.1 115.6 18.1 114 -2.1 122 -2.2 0 0.0 0 0.0 8 29
119 1 119 ARG R H H X TS+ 0 0 -64.0 -44.7 179.3 48.2 114.0 22.5 115 -2.9 123 -2.5 0 0.0 0 0.0 9 42
120 1 120 VAL V H H X TS+ 0 0 -61.8 -46.8 -178.6 46.3 113.8 19.4 116 -3.2 124 -2.8 0 0.0 0 0.0 12 46
121 1 121 ARG R H H X TS+ 0 0 -64.8 -36.6 179.2 51.3 112.3 27.5 117 -2.7 125 -1.9 0 0.0 0 0.0 10 39
122 1 122 GLU E H H X TS+ 0 0 -63.8 -49.5 178.0 46.0 112.1 17.9 118 -2.2 126 -1.9 0 0.0 0 0.0 8 39
123 1 123 VAL V H H X TS+ 0 0 -59.8 -45.3 178.9 53.4 110.4 25.1 119 -2.5 127 -1.5 0 0.0 0 0.0 11 49
124 1 124 ALA A H H < >TS+ 0 0 -60.7 -35.7 180.0 52.6 107.7 27.1 120 -2.8 129 -3.3 0 0.0 130 -0.7 13 44
125 1 125 GLU E H H < >5TS+ 0 0 -67.4 -42.3 179.1 50.0 107.3 21.9 121 -1.9 128 -1.0 0 0.0 0 0.0 9 33
126 1 126 LEU L H H < 35TS+ 0 0 -63.8 -28.1 -177.3 43.5 116.7 38.5 122 -1.9 0 0.0 0 0.0 0 0.0 8 40
127 1 127 LEU L T h < 35TS- 0 0 -99.2 1.7 -179.5 -115.0 112.7 65.6 123 -1.5 0 0.0 0 0.0 0 0.0 9 42
128 1 128 GLY G T T <5TS+ 0 0 71.1 29.2 -176.1 122.1 81.2 38.1 125 -1.0 0 0.0 0 0.0 0 0.0 7 37
129 1 129 LEU L g > TS+ 0 0 -52.0 -45.6 -179.6 50.7 79.8 29.1 124 -0.7 133 -1.4 0 0.0 0 0.0 8 33
131 1 131 GLU E G G 3 TS+ 0 0 -69.7 -10.4 -178.9 53.6 110.3 51.2 0 0.0 0 0.0 0 0.0 0 0.0 6 27
132 1 132 LEU L G G X TS+ 0 0 -103.9 5.5 -175.2 109.4 72.1 68.0 129 -2.0 135 -2.2 0 0.0 98 -0.6 7 38
133 1 133 LEU L T g < TS+ 0 0 -53.2 -35.9 -178.4 42.1 83.3 37.9 130 -1.4 99 -2.5 0 0.0 0 0.0 10 45
134 1 134 ASN N T T 3 TS+ 0 0 -95.4 8.2 -179.7 107.6 96.0 69.8 0 0.0 0 0.0 0 0.0 0 0.0 8 31
135 1 135 ARG R t < T - 0 0 -87.5 156.1 177.8 -130.1 64.7 119.6 132 -2.2 98 -1.8 0 0.0 0 0.0 9 33
136 1 136 LYS K g > T - 0 0 -97.2 154.6 -179.4 -107.4 31.7 133.5 0 0.0 139 -1.8 0 0.0 0 0.0 11 33
137 1 137 PRO P G G > TS+ 0 0 -49.5 -42.2 -179.2 62.1 117.4 31.0 0 0.0 140 -2.3 0 0.0 0 0.0 13 36
138 1 138 ARG R G G 3 TS+ 0 0 -57.2 -28.7 -179.9 56.8 98.5 39.4 0 0.0 0 0.0 0 0.0 0 0.0 5 26
139 1 139 GLU E G G < TS+ 0 0 -87.6 13.3 -177.8 85.9 98.8 75.3 136 -1.8 0 0.0 0 0.0 0 0.0 6 27
140 1 140 LEU L S g < TS- 0 0 -117.3 158.2 177.0 -119.8 75.3 142.0 137 -2.3 0 0.0 0 0.0 0 0.0 9 32
141 1 141 SER S h > T - 0 0 -80.5 175.0 -179.7 -103.7 39.1 107.4 0 0.0 145 -2.5 0 0.0 0 0.0 6 26
142 1 142 GLY G H H > TS+ 0 0 -70.3 -34.0 179.1 49.1 123.2 31.6 0 0.0 146 -2.0 0 0.0 0 0.0 7 28
143 1 143 GLY G H H > TS+ 0 0 -72.0 -36.6 177.9 50.8 110.7 31.3 0 0.0 147 -1.9 0 0.0 0 0.0 6 36
144 1 144 GLN Q H H > TS+ 0 0 -66.3 -44.1 179.9 47.6 111.6 17.5 0 0.0 148 -2.0 0 0.0 0 0.0 9 41
145 1 145 ARG R H H X TS+ 0 0 -62.7 -37.3 -179.2 53.7 109.8 27.2 141 -2.5 149 -2.5 0 0.0 0 0.0 12 44
146 1 146 GLN Q H H X TS+ 0 0 -63.9 -40.3 179.2 48.2 109.0 26.0 142 -2.0 150 -2.0 0 0.0 0 0.0 11 45
147 1 147 ARG R H H X TS+ 0 0 -69.4 -33.2 179.4 54.9 108.1 31.8 143 -1.9 151 -2.2 0 0.0 0 0.0 10 56
148 1 148 VAL V H H X TS+ 0 0 -66.4 -43.0 -179.6 49.6 107.8 18.4 144 -2.0 152 -2.1 0 0.0 0 0.0 15 56
149 1 149 ALA A H H X TS+ 0 0 -61.7 -38.9 179.7 51.5 109.4 21.5 145 -2.5 153 -2.1 0 0.0 0 0.0 13 55
150 1 150 LEU L H H X TS+ 0 0 -63.5 -37.0 178.9 54.3 107.3 26.3 146 -2.0 154 -3.0 0 0.0 0 0.0 9 59
151 1 151 GLY G H H X TS+ 0 0 -63.9 -39.7 179.5 51.6 105.3 24.3 147 -2.2 155 -2.2 0 0.0 0 0.0 12 60
152 1 152 ARG R H H X TS+ 0 0 -62.0 -41.7 178.4 46.2 113.3 22.7 148 -2.1 156 -0.8 0 0.0 0 0.0 13 59
153 1 153 ALA A H H < > TS+ 0 0 -65.6 -43.3 -179.1 51.9 111.5 24.4 149 -2.1 156 -0.6 0 0.0 0 0.0 10 59
154 1 154 ILE I H H < > TS+ 0 0 -64.1 -41.1 -178.4 57.5 102.0 29.3 150 -3.0 157 -1.7 0 0.0 0 0.0 9 56
155 1 155 VAL V H H < 3 TS+ 0 0 -65.1 -23.1 178.6 63.6 96.8 40.0 151 -2.2 0 0.0 0 0.0 0 0.0 13 55
156 1 156 ARG R T h < < TS- 0 0 -73.5 -12.9 179.5 -136.7 102.5 52.1 152 -0.8 0 0.0 153 -0.6 0 0.0 8 47
157 1 157 LYS K t < T - 0 0 57.9 62.5 -180.0 -163.1 24.4 15.3 154 -1.7 0 0.0 0 0.0 0 0.0 6 47
158 1 158 PRO P - 0 0 -70.6 165.2 176.7 -121.8 27.1 105.4 0 0.0 0 0.0 0 0.0 0 0.0 11 44
159 1 159 GLN Q S e S+ 0 0 -73.0 -30.1 -178.0 8.8 93.5 35.4 82 -2.1 192 -0.7 0 0.0 0 0.0 11 48
160 1 160 VAL V E E Bgh - 83 192 -154.2 146.5 176.2 -140.5 62.3 176.4 82 -1.0 84 -2.2 0 0.0 0 0.0 14 61
161 1 161 PHE F E E Bgh - 84 193 -104.7 137.4 -178.8 -161.2 21.8 157.6 192 -2.1 194 -2.4 0 0.0 0 0.0 13 61
162 1 162 LEU L E E Bgh + 85 194 -122.5 130.8 177.1 165.7 15.4 162.8 84 -2.9 86 -3.3 0 0.0 0 0.0 13 58
163 1 163 MET M E E Bgh - 86 195 -146.3 150.0 -176.7 -146.3 28.4 177.4 194 -2.2 196 -2.3 0 0.0 165 -0.6 12 58
164 1 164 ASP D E E B h S- 0 196 -120.3 93.4 -179.3 -52.6 75.9 150.0 86 -0.5 0 0.0 0 0.0 0 0.0 11 52
165 1 165 GLU E e > T + 0 0 42.0 56.4 -179.3 174.1 69.6 29.5 196 -1.9 168 -1.9 163 -0.6 0 0.0 9 51
166 1 166 PRO P T T 3 TS+ 0 0 -63.1 -18.4 -179.9 57.8 73.8 46.9 0 0.0 0 0.0 0 0.0 0 0.0 9 48
167 1 167 LEU L T T > TS+ 0 0 -91.9 2.2 -177.4 102.8 74.7 68.0 0 0.0 170 -1.9 0 0.0 0 0.0 8 41
168 1 168 SER S T T < TS+ 0 0 -55.9 -33.2 -179.4 56.6 75.0 38.3 165 -1.9 0 0.0 0 0.0 0 0.0 5 30
169 1 169 ASN N T T 3 TS+ 0 0 -81.4 4.3 -175.8 105.9 89.1 71.5 0 0.0 0 0.0 0 0.0 0 0.0 5 26
170 1 170 LEU L S t < TS- 0 0 -97.0 149.2 176.6 -110.5 75.2 129.2 167 -1.9 0 0.0 0 0.0 0 0.0 7 26
171 1 171 ASP D h > T - 0 0 -65.1 150.5 -176.6 -103.2 44.7 112.6 0 0.0 175 -2.4 0 0.0 0 0.0 6 15
172 1 172 ALA A H H > TS+ 0 0 -43.5 -53.5 -178.3 46.1 116.7 32.5 0 0.0 176 -2.1 0 0.0 0 0.0 6 18
173 1 173 LYS K H H > TS+ 0 0 -61.2 -46.7 179.9 47.2 113.8 25.2 0 0.0 177 -1.9 0 0.0 0 0.0 6 16
174 1 174 LEU L H H > TS+ 0 0 -64.1 -34.2 -179.5 55.7 110.1 31.8 0 0.0 178 -2.6 0 0.0 0 0.0 8 18
175 1 175 ARG R H H X TS+ 0 0 -64.5 -42.8 179.2 52.1 104.3 23.4 171 -2.4 179 -2.4 0 0.0 0 0.0 10 27
176 1 176 VAL V H H X TS+ 0 0 -58.4 -44.7 -179.8 44.2 114.1 21.1 172 -2.1 180 -1.3 0 0.0 0 0.0 8 28
177 1 177 ARG R H H X TS+ 0 0 -68.4 -42.0 -179.5 52.2 111.8 26.6 173 -1.9 181 -2.4 0 0.0 0 0.0 8 23
178 1 178 MET M H H X TS+ 0 0 -66.3 -32.3 178.2 58.3 102.9 31.5 174 -2.6 182 -3.1 0 0.0 0 0.0 9 37
179 1 179 ARG R H H X TS+ 0 0 -61.9 -43.3 179.2 44.1 110.8 20.2 175 -2.4 183 -2.0 0 0.0 0 0.0 12 42
180 1 180 ALA A H H X TS+ 0 0 -66.1 -44.0 -179.4 47.5 115.1 21.8 176 -1.3 184 -2.3 0 0.0 0 0.0 9 31
181 1 181 GLU E H H X TS+ 0 0 -64.4 -43.1 179.3 49.8 112.3 23.9 177 -2.4 185 -2.5 0 0.0 0 0.0 8 31
182 1 182 LEU L H H X TS+ 0 0 -61.1 -45.1 -179.5 45.0 113.2 24.5 178 -3.1 186 -2.4 0 0.0 0 0.0 8 53
183 1 183 LYS K H H X TS+ 0 0 -68.3 -38.0 178.4 53.6 111.4 26.4 179 -2.0 187 -2.5 0 0.0 0 0.0 10 42
184 1 184 LYS K H H X TS+ 0 0 -60.8 -47.3 179.8 46.5 111.1 17.8 180 -2.3 188 -2.4 0 0.0 0 0.0 8 29
185 1 185 LEU L H H X TS+ 0 0 -62.7 -43.0 178.2 52.6 110.4 21.6 181 -2.5 189 -2.3 0 0.0 0 0.0 9 42
186 1 186 GLN Q H H X >TS+ 0 0 -59.4 -39.4 178.4 48.4 110.1 23.6 182 -2.4 190 -2.4 0 0.0 191 -0.8 11 47
187 1 187 ARG R H H < 5TS+ 0 0 -66.5 -40.2 178.2 52.2 110.0 25.2 183 -2.5 0 0.0 0 0.0 0 0.0 8 33
188 1 188 GLN Q H H < 5TS+ 0 0 -62.5 -37.9 179.8 40.3 116.4 28.1 184 -2.4 0 0.0 0 0.0 0 0.0 6 30
189 1 189 LEU L H H < 5TS- 0 0 -81.7 -29.7 -179.1 -147.8 92.4 36.5 185 -2.3 0 0.0 0 0.0 0 0.0 6 38
190 1 190 GLY G T h < 5T + 0 0 69.5 21.8 -177.0 150.5 44.4 42.9 186 -2.4 0 0.0 0 0.0 0 0.0 8 33
191 1 191 VAL V t T - 0 0 -90.0 112.3 -177.7 -163.2 56.7 135.2 0 0.0 203 -2.5 0 0.0 0 0.0 8 45
200 1 200 GLN Q H H > TS+ 0 0 -58.7 -44.2 -179.2 48.7 90.6 28.9 198 -0.7 204 -2.7 0 0.0 0 0.0 9 54
201 1 201 VAL V H H > TS+ 0 0 -66.1 -43.2 177.6 51.0 110.7 21.4 0 0.0 205 -2.3 0 0.0 0 0.0 6 45
202 1 202 GLU E H H > TS+ 0 0 -58.5 -42.7 -178.0 49.5 111.6 18.9 0 0.0 206 -2.9 0 0.0 0 0.0 9 55
203 1 203 ALA A H H X TS+ 0 0 -63.4 -47.0 -179.6 43.1 113.5 20.2 199 -2.5 207 -2.5 0 0.0 0 0.0 13 55
204 1 204 MET M H H < TS+ 0 0 -68.6 -27.6 -179.3 49.6 116.5 36.5 200 -2.7 0 0.0 0 0.0 0 0.0 9 48
205 1 205 THR T H H < TS+ 0 0 -77.1 -46.9 -174.4 25.7 123.5 21.7 201 -2.3 0 0.0 0 0.0 0 0.0 8 45
206 1 206 MET M H H < TS+ 0 0 -93.5 -30.0 -174.8 93.4 97.6 37.7 202 -2.9 0 0.0 0 0.0 0 0.0 11 49
207 1 207 GLY G h < T - 0 0 -77.2 141.7 171.4 -164.7 47.5 114.8 203 -2.5 0 0.0 0 0.0 0 0.0 12 58
208 1 208 ASP D S S S+ 0 0 -75.9 -41.7 175.6 3.2 95.9 34.2 31 -2.8 0 0.0 0 0.0 0 0.0 10 49
209 1 209 ARG R E E Bd S- 32 0 -139.4 160.3 -178.7 -144.7 73.6 164.1 31 -1.6 33 -2.2 0 0.0 0 0.0 12 52
210 1 210 ILE I E E BdI - 33 222 -131.0 126.2 176.3 -155.0 2.7 175.7 222 -2.7 222 -2.1 0 0.0 212 -0.8 17 59
211 1 211 ALA A E E BdI - 34 221 -97.6 105.0 -179.6 -155.6 21.7 154.8 33 -3.4 35 -2.3 0 0.0 0 0.0 13 71
212 1 212 VAL V E E BdI - 35 220 -87.5 131.3 -177.3 -172.6 14.2 137.3 220 -2.9 219 -3.4 210 -0.8 220 -1.1 12 67
213 1 213 MET M E E B I + 0 218 -125.0 150.7 176.1 178.8 14.4 153.4 35 -2.6 0 0.0 0 0.0 0 0.0 16 57
214 1 214 ASN N E E B I> TS- 0 217 -153.0 129.0 177.5 -12.1 72.0 157.9 217 -2.0 217 -1.9 0 0.0 0 0.0 13 47
215 1 215 ARG R T T 3 TS- 0 0 48.0 48.5 177.3 -49.3 129.3 31.2 0 0.0 0 0.0 0 0.0 0 0.0 9 37
216 1 216 GLY G T T 3 TS+ 0 0 79.5 -0.1 -175.4 112.3 115.5 65.5 40 -1.4 20 -3.2 0 0.0 0 0.0 13 47
217 1 217 VAL V E E BI < T - 214 0 -116.5 133.3 177.3 -126.0 69.0 155.2 214 -1.9 214 -2.0 0 0.0 0 0.0 12 46
218 1 218 LEU L E E BI - 213 0 -71.6 117.0 -177.3 -178.7 28.2 124.7 0 0.0 0 0.0 0 0.0 0 0.0 10 54
219 1 219 GLN Q E E B* - 0 0 -87.0 -40.5 -178.6 -21.4 59.5 33.3 212 -3.4 0 0.0 0 0.0 0 0.0 12 49
220 1 220 GLN Q E E BI - 212 0 -166.6 151.8 172.2 -148.9 45.4 162.9 212 -1.1 212 -2.9 0 0.0 0 0.0 12 54
221 1 221 VAL V E E BI + 211 0 -127.5 121.0 179.5 122.6 45.5 170.9 0 0.0 0 0.0 0 0.0 0 0.0 10 50
222 1 222 GLY G E E BI - 210 0 -165.5 171.2 177.4 -78.4 61.7 171.5 210 -2.1 210 -2.7 0 0.0 0 0.0 10 43
223 1 223 SER S h > T - 0 0 -67.7 166.2 179.0 -98.9 58.1 102.0 0 0.0 227 -2.3 0 0.0 0 0.0 10 37
224 1 224 PRO P H H > TS+ 0 0 -57.5 -38.7 179.3 53.1 127.6 23.2 0 0.0 228 -1.9 0 0.0 0 0.0 13 39
225 1 225 ASP D H H > >TS+ 0 0 -60.9 -42.6 -179.1 49.3 109.2 21.4 0 0.0 229 -3.2 0 0.0 230 -0.5 8 31
226 1 226 GLU E H H > 5TS+ 0 0 -64.6 -42.4 -177.7 44.9 112.0 25.8 0 0.0 230 -1.9 0 0.0 0 0.0 9 37
227 1 227 VAL V H H < 5TS+ 0 0 -73.3 -25.1 -179.3 39.4 122.4 33.8 223 -2.3 0 0.0 0 0.0 0 0.0 15 51
228 1 228 TYR Y H H < 5TS+ 0 0 -85.9 -51.5 -178.4 27.7 128.8 21.9 224 -1.9 0 0.0 0 0.0 0 0.0 11 51
229 1 229 ASP D H H < 5TS+ 0 0 -83.6 -28.1 179.0 32.7 133.0 42.5 225 -3.2 0 0.0 0 0.0 0 0.0 6 46
230 1 230 LYS K S h < A TS- 369 0 -161.8 178.5 -178.6 -81.7 84.8 160.5 0 0.0 237 -2.1 0 0.0 0 0.0 11 45
234 1 234 THR T H H > TS+ 0 0 -64.7 -30.6 179.1 58.8 119.9 36.0 368 -2.4 238 -2.2 0 0.0 0 0.0 11 48
235 1 235 PHE F H H > TS+ 0 0 -62.8 -49.5 -177.6 41.1 110.4 15.4 0 0.0 239 -1.4 0 0.0 0 0.0 9 51
236 1 236 VAL V H H > TS+ 0 0 -64.8 -38.8 -180.0 53.8 114.9 25.7 0 0.0 240 -1.4 0 0.0 0 0.0 14 61
237 1 237 ALA A H H < TS+ 0 0 -64.5 -36.3 -178.9 38.2 115.7 29.8 233 -2.1 245 -0.6 0 0.0 0 0.0 13 59
238 1 238 GLY G H H < TS+ 0 0 -91.5 -9.2 -175.8 61.0 110.0 54.2 234 -2.2 0 0.0 0 0.0 0 0.0 9 47
239 1 239 PHE F H H < TS+ 0 0 -89.2 -28.1 179.1 51.8 101.1 38.5 235 -1.4 0 0.0 0 0.0 0 0.0 7 50
240 1 240 ILE I S h < TS+ 0 0 -113.7 127.9 179.2 56.3 87.4 160.2 236 -1.4 0 0.0 0 0.0 0 0.0 9 52
241 1 241 GLY G S S S- 0 0 129.2 140.8 -179.9 -99.4 70.4 103.3 0 0.0 0 0.0 0 0.0 0 0.0 10 44
242 1 242 SER S S S S+ 0 0 -142.2 121.0 -1.1 21.4 111.8 170.6 0 0.0 0 0.0 0 0.0 0 0.0 5 37
243 1 243 PRO P S S S- 0 0 -63.8 167.4 -179.4 -107.3 117.2 40.8 0 0.0 0 0.0 0 0.0 0 0.0 7 37
244 1 244 PRO P - 0 0 -66.2 159.2 177.6 -83.9 39.7 103.3 0 0.0 0 0.0 0 0.0 0 0.0 10 38
245 1 245 MET M - 0 0 -57.3 145.8 177.5 -119.0 47.5 105.5 237 -0.6 0 0.0 0 0.0 0 0.0 12 48
246 1 246 ASN N E E CJ - 289 0 -88.0 144.3 176.2 -160.5 26.8 136.1 289 -2.4 289 -1.9 0 0.0 0 0.0 10 53
247 1 247 PHE F E E CJ + 288 0 -126.0 139.4 -179.0 176.7 11.4 167.7 0 0.0 0 0.0 0 0.0 0 0.0 9 56
248 1 248 LEU L E E CJ - 287 0 -139.7 143.2 175.8 -117.0 31.9 172.0 287 -2.2 287 -3.1 0 0.0 0 0.0 9 49
249 1 249 ASP D E E CJ + 286 0 -79.1 137.1 178.9 168.9 45.7 131.1 0 0.0 0 0.0 0 0.0 0 0.0 9 43
250 1 250 ALA A E E CJ - 285 0 -145.0 166.8 176.9 -135.2 33.1 161.9 285 -2.5 285 -3.6 0 0.0 0 0.0 12 47
251 1 251 ILE I E E CJK - 284 259 -123.8 129.6 176.8 -130.5 23.7 171.5 259 -1.4 259 -2.8 0 0.0 253 -0.5 12 41
252 1 252 VAL V E E C K - 0 258 -78.1 122.9 -178.2 -145.9 35.5 138.3 283 -2.1 282 -2.7 0 0.0 0 0.0 15 48
253 1 253 THR T e > T - 0 0 -93.5 163.3 178.5 -115.0 20.5 120.7 257 -2.8 256 -1.5 251 -0.5 0 0.0 11 38
254 1 254 GLU E T T 3 TS+ 0 0 -61.8 -35.5 -178.9 56.7 115.2 32.3 0 0.0 0 0.0 0 0.0 0 0.0 7 30
255 1 255 ASP D T T 3 TS- 0 0 -85.2 14.4 176.0 -96.4 124.8 72.1 0 0.0 0 0.0 0 0.0 0 0.0 4 27
256 1 256 GLY G S e < TS+ 0 0 85.6 26.4 179.3 117.6 82.2 40.0 253 -1.5 267 -2.2 0 0.0 0 0.0 10 37
257 1 257 PHE F E E C L - 0 266 -118.2 165.5 171.9 -126.2 61.8 137.9 0 0.0 253 -2.8 0 0.0 259 -0.6 12 49
258 1 258 VAL V E E CKL - 252 265 -107.8 127.8 -177.5 -151.0 31.3 166.8 265 -2.9 265 -2.0 0 0.0 260 -0.6 12 57
259 1 259 ASP D E E CKL + 251 264 -109.5 119.9 -179.0 179.3 22.5 155.6 251 -2.8 251 -1.4 257 -0.6 0 0.0 12 46
260 1 260 PHE F e - 0 0 -92.7 -3.7 -179.1 -121.4 45.3 64.0 263 -2.9 262 -1.1 258 -0.6 0 0.0 10 46
261 1 261 GLY G S S S+ 0 0 93.9 -57.8 -179.3 57.3 110.3 117.1 0 0.0 0 0.0 0 0.0 0 0.0 6 32
262 1 262 GLU E S S S- 0 0 -78.5 -17.9 178.7 -21.4 129.3 47.9 260 -1.1 0 0.0 0 0.0 0 0.0 9 30
263 1 263 PHE F e - 0 0 -175.2 173.5 -179.3 -127.4 64.6 162.4 0 0.0 260 -2.9 0 0.0 0 0.0 8 40
264 1 264 ARG R E E CL - 259 0 -135.8 161.9 178.1 -157.6 7.3 156.3 0 0.0 0 0.0 0 0.0 0 0.0 11 50
265 1 265 LEU L E E CL - 258 0 -138.6 148.0 -177.7 -115.6 26.3 167.0 258 -2.0 258 -2.9 0 0.0 0 0.0 11 52
266 1 266 LYS K E E CL - 257 0 -93.9 127.9 -179.7 -131.0 26.7 140.1 307 -2.2 0 0.0 0 0.0 0 0.0 10 46
267 1 267 LEU L e - 0 0 -70.7 153.4 177.5 -104.8 26.7 106.0 256 -2.2 0 0.0 0 0.0 0 0.0 11 49
268 1 268 LEU L h > > T - 0 0 -73.9 151.2 -179.3 -108.7 38.8 121.0 0 0.0 272 -2.2 0 0.0 271 -0.6 8 38
269 1 269 PRO P H H > 3 TS+ 0 0 -48.2 -51.2 179.9 48.1 117.8 24.3 0 0.0 273 -2.2 0 0.0 0 0.0 7 27
270 1 270 ASP D H H > 3 TS+ 0 0 -61.0 -31.0 179.9 53.8 110.6 32.4 0 0.0 274 -1.9 0 0.0 0 0.0 6 27
271 1 271 GLN Q H H > < TS+ 0 0 -68.9 -45.2 -179.2 46.7 108.9 21.7 268 -0.6 275 -2.2 0 0.0 0 0.0 8 39
272 1 272 PHE F H H X TS+ 0 0 -64.1 -35.7 179.7 55.1 110.5 28.3 268 -2.2 276 -1.9 0 0.0 0 0.0 11 41
273 1 273 GLU E H H X TS+ 0 0 -63.7 -46.6 -179.7 45.2 108.8 22.8 269 -2.2 277 -3.0 0 0.0 0 0.0 8 26
274 1 274 VAL V H H X TS+ 0 0 -66.5 -41.9 -179.7 50.8 112.6 22.2 270 -1.9 278 -1.6 0 0.0 0 0.0 8 31
275 1 275 LEU L H H < >TS+ 0 0 -63.0 -32.5 179.3 48.5 113.3 29.7 271 -2.2 280 -3.2 0 0.0 281 -0.7 12 41
276 1 276 GLY G H H < >5TS+ 0 0 -68.6 -58.2 -179.9 49.5 108.5 10.1 272 -1.9 279 -2.7 0 0.0 0 0.0 9 31
277 1 277 GLU E H H < 35TS+ 0 0 -52.2 -26.1 180.0 49.5 113.5 42.8 273 -3.0 0 0.0 0 0.0 0 0.0 7 20
278 1 278 LEU L T h < 35TS- 0 0 -93.4 -5.5 176.8 -113.6 118.4 62.0 274 -1.6 0 0.0 0 0.0 0 0.0 6 26
279 1 279 GLY G T T <5TS+ 0 0 82.2 26.6 -179.6 125.2 77.6 41.1 276 -2.7 0 0.0 0 0.0 0 0.0 6 24
280 1 280 TYR Y t > T - 0 0 -76.8 151.9 179.3 -117.6 24.4 116.3 0 0.0 293 -2.3 0 0.0 0 0.0 14 50
291 1 291 PRO P G G > TS+ 0 0 -53.4 -35.9 -178.3 61.9 113.5 31.3 0 0.0 338 -2.4 0 0.0 294 -1.7 13 51
292 1 292 GLU E G G 3 TS+ 0 0 -68.7 -10.7 -176.5 56.5 99.3 49.0 0 0.0 0 0.0 0 0.0 0 0.0 8 48
293 1 293 ASP D G e < TS+ 0 0 -107.7 15.9 176.3 85.9 90.1 78.8 290 -2.3 356 -2.6 0 0.0 0 0.0 11 50
294 1 294 LEU L E E DN < T - 355 0 -112.8 140.7 -176.4 -168.7 63.3 154.9 291 -1.7 0 0.0 0 0.0 0 0.0 15 61
295 1 295 TYR Y E E DN - 354 0 -137.8 149.1 175.2 -110.1 32.1 167.9 354 -2.5 354 -3.0 0 0.0 0 0.0 15 53
296 1 296 ASP D E E >DN > T - 353 0 -71.2 125.5 -179.4 -133.4 36.0 129.2 0 0.0 299 -1.8 0 0.0 300 -0.8 13 50
297 1 297 ALA A T e 4 3 TS+ 0 0 -55.8 -26.4 -179.2 76.1 99.6 38.5 352 -3.0 0 0.0 0 0.0 0 0.0 11 42
298 1 298 MET M T T 4 3 TS+ 0 0 -56.0 -33.4 -178.2 21.0 112.4 32.0 0 0.0 0 0.0 0 0.0 0 0.0 6 32
299 1 299 PHE F T T 4 < TS+ 0 0 -117.0 2.8 -178.6 127.3 91.6 67.9 296 -1.8 0 0.0 0 0.0 0 0.0 7 31
300 1 300 ALA A t < T - 0 0 -61.3 150.0 179.6 -134.9 58.3 101.5 296 -0.8 0 0.0 0 0.0 0 0.0 9 36
301 1 301 GLN Q S S S+ 0 0 -76.0 -31.9 -179.2 26.3 91.2 34.9 0 0.0 0 0.0 0 0.0 0 0.0 4 24
302 1 302 VAL V - 0 0 -139.3 120.6 -177.7 -171.6 65.6 162.1 0 0.0 304 -0.6 0 0.0 0 0.0 5 28
303 1 303 ARG R + 0 0 -115.8 112.3 -179.5 169.7 9.6 156.4 0 0.0 0 0.0 0 0.0 0 0.0 9 28
304 1 304 VAL V t > > T - 0 0 -124.6 90.7 179.7 -139.1 28.5 145.2 302 -0.6 308 -2.1 0 0.0 307 -2.0 7 31
305 1 305 PRO P T T 4 3 TS+ 0 0 -45.2 139.9 -179.0 14.8 89.1 96.3 0 0.0 0 0.0 0 0.0 0 0.0 7 29
306 1 306 GLY G T T 4 3 TS+ 0 0 83.7 -33.7 -176.7 57.5 127.4 92.8 309 -0.6 0 0.0 0 0.0 0 0.0 9 32
307 1 307 GLU E T T 4 < TS- 0 0 -101.5 -44.1 179.0 -2.4 125.7 32.7 304 -2.0 266 -2.2 0 0.0 0 0.0 9 39
308 1 308 ASN N S e < TS+ 0 0 -134.0 17.4 -176.4 80.5 116.0 80.9 304 -2.1 355 -2.7 0 0.0 0 0.0 13 44
309 1 309 LEU L E E DO + 354 0 -132.7 143.2 178.2 173.3 45.8 161.3 0 0.0 306 -0.6 0 0.0 0 0.0 14 47
310 1 310 VAL V E E DO - 353 0 -144.9 144.5 177.8 -125.8 29.2 176.3 353 -2.3 353 -3.4 0 0.0 312 -0.5 10 49
311 1 311 ARG R E E DO + 352 0 -91.0 129.9 -177.6 169.4 39.2 143.2 0 0.0 0 0.0 0 0.0 0 0.0 9 46
312 1 312 ALA A E E DO - 351 0 -133.2 165.8 175.5 -115.9 34.2 149.8 351 -2.8 351 -2.7 310 -0.5 0 0.0 11 47
313 1 313 VAL V E E DOP - 350 329 -104.3 141.0 179.4 -124.9 30.1 151.4 329 -2.5 329 -2.0 0 0.0 315 -0.5 12 37
314 1 314 VAL V E E D P + 0 328 -84.9 124.7 -179.8 174.3 30.1 136.7 349 -2.0 348 -3.2 0 0.0 0 0.0 16 42
315 1 315 GLU E E E D * + 0 0 -98.3 -40.3 179.3 10.9 67.3 35.4 327 -3.4 0 0.0 313 -0.5 0 0.0 10 34
316 1 316 ILE I E E D P - 0 327 -141.4 136.1 172.9 -164.7 55.5 176.4 327 -1.2 327 -2.5 0 0.0 318 -0.5 10 33
317 1 317 VAL V E E D P - 0 326 -118.1 115.5 175.8 -163.9 10.1 168.0 0 0.0 319 -0.5 0 0.0 0 0.0 12 39
318 1 318 GLU E E E D P - 0 325 -96.1 126.7 -178.5 -145.7 12.5 150.3 325 -2.9 325 -2.0 316 -0.5 320 -1.0 7 31
319 1 319 ASN N E E D P + 0 324 -97.4 102.2 179.9 169.0 26.3 144.0 317 -0.5 0 0.0 0 0.0 0 0.0 8 26
320 1 320 LEU L e - 0 0 -93.5 9.7 178.2 -124.0 45.8 76.2 323 -2.2 322 -1.9 318 -1.0 0 0.0 7 23
321 1 321 GLY G S S S+ 0 0 84.5 -63.4 -179.3 48.9 106.8 115.3 0 0.0 0 0.0 0 0.0 0 0.0 6 16
322 1 322 SER S S S S- 0 0 -86.4 -7.3 -179.3 -5.3 130.1 58.9 320 -1.9 0 0.0 0 0.0 0 0.0 6 18
323 1 323 GLU E e - 0 0 -170.6 173.0 178.3 -114.8 67.8 165.7 0 0.0 320 -2.2 0 0.0 0 0.0 10 31
324 1 324 ARG R E E DPQ - 319 339 -125.9 131.7 177.2 -145.0 15.9 171.5 339 -2.7 339 -2.8 0 0.0 326 -0.7 14 38
325 1 325 ILE I E E DPQ - 318 338 -96.1 121.7 -173.6 -163.4 24.2 150.5 318 -2.0 318 -2.9 0 0.0 327 -0.6 13 45
326 1 326 VAL V E E DPQ - 317 337 -116.7 119.2 -179.7 -154.1 13.2 156.3 337 -3.0 337 -2.6 324 -0.7 328 -0.6 14 54
327 1 327 ARG R E E DPQ - 316 336 -92.3 122.3 -174.7 -170.2 26.1 144.7 316 -2.5 315 -3.4 325 -0.6 316 -1.2 12 53
328 1 328 LEU L E E DPQ - 314 335 -116.2 156.3 177.4 -163.0 13.6 137.6 335 -3.0 335 -1.6 326 -0.6 0 0.0 13 54
329 1 329 ARG R E E DPQ - 313 334 -142.0 138.3 174.8 -174.7 12.7 176.6 313 -2.0 313 -2.5 0 0.0 0 0.0 12 43
330 1 330 VAL V E E D Q> TS- 0 333 -126.4 104.6 -178.2 -61.9 71.7 160.9 333 -2.7 333 -2.5 0 0.0 0 0.0 11 42
331 1 331 GLY G T T 3 TS- 0 0 56.3 -120.4 179.7 -8.2 122.8 109.4 0 0.0 0 0.0 0 0.0 0 0.0 5 27
332 1 332 GLY G T T 3 TS+ 0 0 -90.7 6.2 178.1 79.2 121.7 69.5 0 0.0 0 0.0 0 0.0 0 0.0 6 25
333 1 333 VAL V E E DQ < T - 330 0 -116.2 149.1 -179.0 -167.0 56.4 153.3 330 -2.5 330 -2.7 0 0.0 0 0.0 8 32
334 1 334 THR T E E DQ + 329 0 -127.4 160.5 177.1 168.2 10.4 151.4 0 0.0 0 0.0 0 0.0 0 0.0 8 46
335 1 335 PHE F E E DQ - 328 0 -163.7 161.6 -175.1 -124.4 27.0 162.2 328 -1.6 328 -3.0 0 0.0 0 0.0 10 56
336 1 336 VAL V E E DQ - 327 0 -121.9 133.7 178.0 -164.8 19.5 164.6 0 0.0 0 0.0 0 0.0 0 0.0 12 54
337 1 337 GLY G E E DQ - 326 0 -113.6 156.1 175.4 -138.5 19.9 142.4 326 -2.6 326 -3.0 0 0.0 339 -0.7 14 65
338 1 338 SER S E E DQ - 325 0 -109.7 100.8 -177.5 -174.6 37.3 158.9 291 -2.4 0 0.0 0 0.0 0 0.0 13 51
339 1 339 PHE F E E DQ - 324 0 -98.8 159.3 178.4 -94.6 28.3 128.7 324 -2.8 324 -2.7 337 -0.7 0 0.0 13 48
340 1 340 ARG R t > T - 0 0 -68.0 156.7 -178.1 -112.4 35.3 106.5 0 0.0 343 -1.9 0 0.0 0 0.0 10 35
341 1 341 SER S T T 3 TS+ 0 0 -57.8 -31.0 -178.7 63.2 114.9 36.6 0 0.0 0 0.0 0 0.0 0 0.0 9 27
342 1 342 GLU E T T 3 TS+ 0 0 -72.7 -12.2 178.4 117.8 75.9 52.0 0 0.0 0 0.0 0 0.0 0 0.0 4 26
343 1 343 SER S t < T - 0 0 -57.2 137.6 179.9 -150.6 58.6 108.4 340 -1.9 0 0.0 0 0.0 0 0.0 10 38
344 1 344 ARG R + 0 0 -95.3 15.2 -179.9 148.4 41.5 79.6 0 0.0 0 0.0 0 0.0 0 0.0 4 39
345 1 345 VAL V - 0 0 -52.7 147.1 -178.4 -171.2 24.7 98.7 0 0.0 0 0.0 0 0.0 0 0.0 10 42
346 1 346 ARG R t > T - 0 0 -145.4 138.5 -178.7 -98.7 31.3 176.3 0 0.0 349 -2.3 0 0.0 0 0.0 8 35
347 1 347 GLU E T T 3 TS+ 0 0 -58.3 134.5 -178.5 20.8 111.4 106.6 0 0.0 0 0.0 0 0.0 0 0.0 9 29
348 1 348 GLY G T T 3 TS+ 0 0 86.9 -6.3 -178.6 105.2 104.4 70.4 314 -3.2 0 0.0 0 0.0 0 0.0 7 22
349 1 349 VAL V e < T - 0 0 -110.4 144.9 -178.7 -117.7 69.8 147.9 346 -2.3 314 -2.0 0 0.0 0 0.0 8 26
350 1 350 GLU E E E D O - 0 313 -78.6 157.9 177.7 -179.3 30.6 110.7 0 0.0 0 0.0 0 0.0 0 0.0 9 32
351 1 351 VAL V E E D O - 0 312 -152.8 143.8 176.3 -117.8 29.6 167.7 312 -2.7 312 -2.8 0 0.0 0 0.0 11 47
352 1 352 ASP D E E D O - 0 311 -83.9 133.7 -178.0 -157.1 32.6 138.8 0 0.0 297 -3.0 0 0.0 0 0.0 11 51
353 1 353 VAL V E E DNO - 296 310 -117.0 130.0 177.4 -151.8 4.3 159.3 310 -3.4 310 -2.3 0 0.0 0 0.0 12 59
354 1 354 VAL V E E DNO - 295 309 -101.4 135.8 178.4 -151.1 7.4 149.1 295 -3.0 295 -2.5 0 0.0 0 0.0 14 53
355 1 355 PHE F E E DN - 294 0 -104.1 131.0 177.1 -129.9 17.5 153.2 308 -2.7 357 -1.4 0 0.0 0 0.0 9 60
356 1 356 ASP D e > T - 0 0 -81.0 99.8 -177.3 -166.2 23.1 132.1 293 -2.6 359 -2.0 0 0.0 0 0.0 10 48
357 1 357 MET M G G > TS+ 0 0 -61.9 -22.4 178.7 66.2 80.1 42.2 355 -1.4 360 -1.1 0 0.0 0 0.0 8 46
358 1 358 LYS K G G 3 TS+ 0 0 -71.3 -13.5 -175.2 50.9 102.5 48.5 0 0.0 0 0.0 0 0.0 0 0.0 5 39
359 1 359 LYS K G G < TS+ 0 0 -109.4 11.3 -178.4 112.5 84.6 75.8 356 -2.0 0 0.0 0 0.0 0 0.0 8 44
360 1 360 ILE I g < T - 0 0 -82.6 170.8 178.9 -149.3 49.1 107.6 357 -1.1 0 0.0 0 0.0 0 0.0 10 61
361 1 361 HIS H E E CM - 288 0 -137.2 151.2 178.0 -158.2 4.0 168.0 288 -2.0 288 -2.7 0 0.0 0 0.0 10 62
362 1 362 ILE I E E CM - 287 0 -132.1 127.0 -179.0 -172.8 13.3 177.0 0 0.0 371 -3.4 0 0.0 372 -1.3 11 64
363 1 363 PHE F E E CMB - 286 370 -120.6 151.8 176.5 -101.5 34.4 155.8 286 -2.9 286 -2.5 0 0.0 0 0.0 15 48
364 1 364 ASP D E E >CM T - 285 0 -67.4 127.9 -178.0 -141.8 30.5 123.0 369 -3.0 368 -2.4 0 0.0 0 0.0 11 40
365 1 365 LYS K T e 4 TS+ 0 0 -67.2 -23.0 179.9 40.2 96.1 42.3 284 -0.6 0 0.0 0 0.0 0 0.0 9 36
366 1 366 THR T T T 4 TS+ 0 0 -90.9 -49.6 -179.2 26.9 128.3 24.9 0 0.0 0 0.0 0 0.0 0 0.0 4 21
367 1 367 THR T T T 4 TS- 0 0 -86.4 -23.1 -179.9 -135.2 92.0 45.6 0 0.0 0 0.0 0 0.0 0 0.0 5 25
368 1 368 GLY G t < T + 0 0 79.9 4.8 -178.9 147.3 54.2 60.9 364 -2.4 234 -2.4 0 0.0 0 0.0 11 35
369 1 369 LYS K B B A - 233 0 -78.0 137.6 179.7 -113.2 51.4 120.2 0 0.0 364 -3.0 0 0.0 0 0.0 10 34
370 1 370 ALA A B B B - 363 0 -72.7 131.8 174.3 -173.5 22.4 119.9 232 -2.6 0 0.0 0 0.0 0 0.0 12 43
371 1 371 ILE I 0 0 -82.4 -42.8 174.0 999.9 999.9 34.0 362 -3.4 0 0.0 0 0.0 0 0.0 8 48
372 1 372 PHE F 0 0 -162.1 999.9 999.9 999.9 999.9 78.7 362 -1.3 0 0.0 0 0.0 0 0.0 6 49
1g291.pdb
1G29 SUGAR BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEEEEEEEETTEEEEEEEEEEEETT EEEEE STTSSHHHHHHHHHTSS SEEEEEETTEEEEEGGGTEE GGGSSEEEE S TTS HHH Kabs/Sand
chirality -+-----+-+---+-++----+----++-----+--++-+++++++++-++----+------+-+++-++-++---+++-+---+-------++--+++ chirality
bends SS S SSS SS S SS SSSSSSSSSSSSSSSSS SS SSS SSS SSSSS S SSS SSS bends
turns TTTT TTTT TTTTTTTTTTTTTTTT TTTT TTTTTT TTTTT TTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >33< >33< >>3<< >>3<< >33< 3-turns
bridge-2 BBBB**B dddd EEE FF bridge-2
bridge-1 A*AAA**A*AAA AA*A**A*AAAA ccccc B*BBBB EE*E FF gggg bridge-1
sheets AAAAAAAAAAAA AAAAAAAAAAAA BBBBB AAAAAA AAAAA AA BBBB sheets
4-turns >>>>XXX<<<< >>>> 4-turns
summary eEEEEEEEEEEEETTEEEEEEEEEEEEeTeEEEEEetTTthHHHHHHHHHhtS SEEEEEEeTEEEEEGGGgEEegGGGgeEEEE S tTTthHHH summary
sequence MAGVRLVDVWKVFGEVTAVREMSLEVKDGEFMILLGPSGCGKTTTLRMIAGLEEPSRGQIYIGDKLVADPEKGIFVPPKDRDIAMVFQSYALYPHMTVYD sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHTT HHHHHHHHHHHHHHTT GGGTT GGGS HHHHHHHHHHHHHHT SEEEEE TTTTS HHHHHHHHHHHHHHHHHHT EEEEEES H Kabs/Sand
chirality ++++++++-+--++++++++++++++-+++++++--+++--++++++++++++++---+--+--+++++--+++++++++++++++++-+-----+-+-+ chirality
bends SSSSSSSSS SSSSSSSSSSSSSSSS SSSSS SSSS SSSSSSSSSSSSSSS S S SSSSS SSSSSSSSSSSSSSSSSS S S bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTT TT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >33< >33< >33<>>3X<3<>>3<< >>3<< >3><3< 3-turns
bridge-2 hhhhh hhhhh bridge-2
bridge-1 gggg ccccc bridge-1
sheets BBBBB BBBBBB sheets
4-turns <4<<< >>>>XXXXXXXX<<<< >>>>XXXXXXXX<<<< >>>>XXXXXXXXXXXX<<<< >> 4-turns
summary HHHHHHHHhTthHHHHHHHHHHHHHHhTgGGGgTtgGGGghHHHHHHHHHHHHHHht eEEEEEeTTTTthHHHHHHHHHHHHHHHHHHhtEEEEEEShH summary
sequence NIAFPLKLRKVPRQEIDQRVREVAELLGLTELLNRKPRELSGGQRQRVALGRAIVRKPQVFLMDEPLSNLDAKLRVRMRAELKKLQRQLGVTTIYVTHDQ sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHH SEEEEEETTEEEEEE HHHHHHS SBHHHHHHSSSS EEEEEEE TTSEEE SS EEE HHHHHHHHHTT TTSEEEEEE GGGEEETTT Kabs/Sand
chirality ++++++-+----+--+----+--++++++----+++++++-+----+-+----+-+--+-+-------+++++++++-++++-+---+--+++---+++- chirality
bends SSSSSS SS SSS SSSSSSS SSSSSSSSSSSS SSS SS SSSSSSSSSSS SSS SSS SSS bends
turns TTTTTTT TTTT TTTTTTTT TTTTTTTT TTTT TTTTTTTTTTTTTTTT TTTTT TTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >33< >33<>33< >>3<< >33< 3-turns
bridge-2 IIIII KK LLL MMMM bridge-2
bridge-1 dddd II*III A JJJJJJ KK LLL JJJJJJ NNN bridge-1
sheets BBBBBB BBBBBB CCCCCCC CCC CCC CCCCCC DDD sheets
4-turns >>X<<<< >>>><<<< >>>><<<< >>>>XXX<<<< >444< 4-turns
summary HHHHHHhSEEEEEETTEEEEEEhHHHHHHh ShHHHHHHhSSS EEEEEEEeTTeEEEeSSeEEEehHHHHHHHHHhTtTTeEEEEEEgGGeEEEeTTt summary
sequence VEAMTMGDRIAVMNRGVLQQVGSPDEVYDKPANTFVAGFIGSPPMNFLDAIVTEDGFVDFGEFRLKLLPDQFEVLGELGYVGREVIFGIRPEDLYDAMFA sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand S TTTSEEEEEEEEEEE SS EEEEEEETTEEEEEEE TT TT EEEEEE GGG EEEETTT BB Kabs/Sand
chirality +-+-++-++-+--++---+-+----------+-+------++-+--++--------+++-----++-+-- chirality
bends S SSSS SS SSS SS SS SSS SSS bends
turns TTTTT TTTT TTTT TTTT TTTTT TTTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33< >>3<< 3-turns
bridge-2 PP*PPPP QQQQQQQ OOOOO B bridge-2
bridge-1 OOOOO PPPPPP QQQQQQQ NNN MMMM AB bridge-1
sheets DDDDDDDDDDD DDDDDDD DDDDDDD DDDDDD CCCC sheets
4-turns >444< >444< 4-turns
summary S tTTTeEEEEEEEEEEEeSSeEEEEEEETTEEEEEEEtTTt tTTeEEEEEEeGGGgEEEEeTTtBB summary
sequence QVRVPGENLVRAVVEIVENLGSERIVRLRVGGVTFVGSFRSESRVREGVEVDVVFDMKKIHIFDKTTGKAIF sequence
310 320 330 340 350 360 370