Secondary structure calculation program - copyright by David Keith Smith, 1989
1ffvC.pdb
1FFV HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 287
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 C 1 MET M 0 0 999.9 -38.2 -177.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 17
2 C 2 ILE I - 0 0 -88.6 110.2 179.7 -149.9 999.9 137.2 0 0.0 0 0.0 0 0.0 0 0.0 6 17
3 C 3 PRO P - 0 0 -75.7 150.5 179.7 -102.3 27.7 115.8 0 0.0 0 0.0 0 0.0 0 0.0 10 27
4 C 4 PRO P - 0 0 -66.8 166.2 179.4 -79.6 49.0 99.1 0 0.0 0 0.0 0 0.0 0 0.0 8 25
5 C 5 ARG R + 0 0 -68.3 143.3 179.5 163.7 58.8 113.9 0 0.0 0 0.0 0 0.0 0 0.0 5 25
6 C 6 PHE F - 0 0 -156.5 158.5 177.6 -106.4 38.3 170.0 0 0.0 0 0.0 0 0.0 0 0.0 8 30
7 C 7 GLU E E E Aa - 50 0 -88.3 144.9 -178.3 -139.7 35.0 133.0 49 -3.1 51 -2.7 0 0.0 0 0.0 7 28
8 C 8 TYR Y E E Aa - 51 0 -112.6 138.4 179.6 -179.9 19.7 152.0 0 0.0 0 0.0 0 0.0 0 0.0 8 35
9 C 9 HIS H E E Aa - 52 0 -134.7 138.9 179.4 -173.5 10.2 175.1 51 -2.1 53 -3.2 0 0.0 0 0.0 8 36
10 C 10 ALA A - 0 0 -133.7 71.7 179.8 -173.5 13.9 125.3 0 0.0 0 0.0 0 0.0 0 0.0 9 35
11 C 11 PRO P - 0 0 -62.7 153.4 -178.8 -144.9 20.4 102.7 0 0.0 0 0.0 0 0.0 0 0.0 12 34
12 C 12 LYS K S S S+ 0 0 -104.3 7.8 179.4 44.1 77.4 69.8 0 0.0 0 0.0 0 0.0 0 0.0 10 29
13 C 13 SER S S h > TS- 0 0 -148.8 154.7 178.5 -120.6 78.3 170.4 0 0.0 17 -2.1 0 0.0 0 0.0 10 38
14 C 14 VAL V H H > TS+ 0 0 -60.0 -40.9 -179.4 57.5 114.2 27.1 0 0.0 18 -2.8 0 0.0 0 0.0 14 46
15 C 15 GLY G H H > TS+ 0 0 -57.9 -44.3 178.9 46.4 107.1 26.4 0 0.0 19 -2.2 0 0.0 0 0.0 7 37
16 C 16 GLU E H H > TS+ 0 0 -64.8 -42.6 179.2 52.7 111.3 24.8 0 0.0 20 -2.6 0 0.0 0 0.0 9 41
17 C 17 ALA A H H X TS+ 0 0 -58.2 -45.7 179.4 47.6 110.6 22.0 13 -2.1 21 -2.0 0 0.0 0 0.0 13 51
18 C 18 VAL V H H X TS+ 0 0 -63.2 -41.1 179.3 52.9 109.9 27.9 14 -2.8 22 -2.1 0 0.0 0 0.0 14 47
19 C 19 ALA A H H X TS+ 0 0 -60.3 -48.4 179.5 48.9 109.2 20.0 15 -2.2 23 -2.8 0 0.0 0 0.0 9 36
20 C 20 LEU L H H X TS+ 0 0 -59.4 -40.3 178.6 53.5 108.8 29.3 16 -2.6 24 -3.2 0 0.0 0 0.0 10 40
21 C 21 LEU L H H X TS+ 0 0 -60.9 -42.9 179.9 43.8 112.9 23.9 17 -2.0 25 -2.0 0 0.0 0 0.0 15 43
22 C 22 GLY G H H < TS+ 0 0 -69.1 -40.0 -179.9 45.1 117.6 27.1 18 -2.1 0 0.0 0 0.0 0 0.0 9 32
23 C 23 GLN Q H H < TS+ 0 0 -70.3 -45.2 -178.7 34.7 122.3 25.5 19 -2.8 0 0.0 0 0.0 0 0.0 6 28
24 C 24 LEU L H H < > TS- 0 0 -83.9 -26.8 179.0 -170.2 93.8 42.8 20 -3.2 27 -0.8 0 0.0 0 0.0 9 30
25 C 25 GLY G G h < > T - 0 0 72.1 -158.4 -178.9 -14.1 55.2 103.3 21 -2.0 28 -2.4 0 0.0 0 0.0 10 30
26 C 26 SER S G T 3 TS+ 0 0 -56.7 -14.2 178.9 72.0 124.8 55.8 0 0.0 0 0.0 0 0.0 0 0.0 7 29
27 C 27 ASP D G e < TS+ 0 0 -81.2 -5.2 179.3 74.9 90.3 58.9 24 -0.8 50 -2.1 0 0.0 49 -1.1 8 32
28 C 28 ALA A E E Ab < T - 50 0 -108.4 153.9 179.8 -169.4 61.2 142.0 25 -2.4 0 0.0 0 0.0 0 0.0 12 41
29 C 29 LYS K E E Ab - 51 0 -143.9 135.1 179.5 -114.8 26.6 176.4 50 -2.0 52 -2.7 0 0.0 0 0.0 10 56
30 C 30 LEU L E E Ab - 52 0 -70.4 132.7 179.4 -148.6 26.2 120.7 0 0.0 32 -0.6 0 0.0 0 0.0 8 68
31 C 31 LEU L E E Ab + 53 0 -106.4 114.6 178.1 153.7 30.9 157.6 52 -3.3 54 -2.4 0 0.0 0 0.0 11 64
32 C 32 ALA A S S S- 0 0 -105.0 -119.2 178.9 -20.6 77.3 70.8 30 -0.6 0 0.0 0 0.0 0 0.0 11 57
33 C 33 GLY G S S S- 0 0 -65.8 -15.8 179.1 -143.9 79.8 47.9 0 0.0 0 0.0 0 0.0 0 0.0 12 49
34 C 34 GLY G t > T + 0 0 67.1 3.8 -178.6 123.7 63.0 62.8 0 0.0 38 -1.8 0 0.0 0 0.0 10 47
35 C 35 HIS H T T 4 TS+ 0 0 -81.3 9.8 175.5 24.7 85.7 68.4 0 0.0 0 0.0 0 0.0 0 0.0 9 52
36 C 36 SER S T h > TS+ 0 0 -130.4 -43.3 -179.4 47.7 126.4 60.5 0 0.0 40 -1.7 0 0.0 0 0.0 8 54
37 C 37 LEU L H H > TS+ 0 0 -70.1 -49.5 179.2 47.0 111.3 24.1 0 0.0 41 -2.1 0 0.0 0 0.0 9 48
38 C 38 LEU L H H X TS+ 0 0 -61.1 -44.0 179.1 53.2 111.2 21.2 34 -1.8 42 -3.2 0 0.0 0 0.0 9 40
39 C 39 PRO P H H > TS+ 0 0 -57.0 -43.9 179.1 46.4 110.7 23.6 0 0.0 43 -1.2 0 0.0 0 0.0 9 31
40 C 40 MET M H H < >TS+ 0 0 -65.7 -36.3 179.7 48.7 114.4 29.7 36 -1.7 45 -3.1 0 0.0 46 -1.0 10 32
41 C 41 MET M H H < >5TS+ 0 0 -70.3 -39.8 178.6 54.5 106.8 25.0 37 -2.1 44 -1.5 0 0.0 0 0.0 13 33
42 C 42 LYS K H H < 35TS+ 0 0 -64.2 -25.4 178.6 44.0 113.2 38.6 38 -3.2 0 0.0 0 0.0 0 0.0 11 23
43 C 43 LEU L T h < 35TS- 0 0 -98.2 2.3 -179.4 -119.2 114.5 69.3 39 -1.2 0 0.0 0 0.0 0 0.0 10 19
44 C 44 ARG R T T <5TS+ 0 0 62.7 33.2 177.4 123.8 79.1 34.1 41 -1.5 0 0.0 0 0.0 0 0.0 9 19
45 C 45 PHE F S t T + 0 0 -105.3 20.2 179.4 101.3 55.7 80.9 31 -2.4 57 -0.8 0 0.0 0 0.0 13 53
55 C 55 ASN N T T 3 TS+ 0 0 -79.2 -9.8 -178.9 58.0 76.0 58.1 0 0.0 0 0.0 0 0.0 0 0.0 9 45
56 C 56 ARG R T T 3 TS+ 0 0 -110.9 28.0 179.6 101.7 78.9 88.6 0 0.0 0 0.0 0 0.0 0 0.0 9 35
57 C 57 ILE I g X T - 0 0 -114.3 101.8 -179.5 -166.8 51.9 155.3 54 -0.8 60 -1.8 0 0.0 0 0.0 11 37
58 C 58 PRO P G G > TS+ 0 0 -60.9 -22.4 -179.7 69.1 82.9 45.3 0 0.0 61 -1.4 0 0.0 0 0.0 8 31
59 C 59 GLU E G G 3 TS+ 0 0 -75.0 -8.3 178.8 58.2 93.5 56.0 0 0.0 0 0.0 0 0.0 0 0.0 9 37
60 C 60 LEU L G G < TS+ 0 0 -99.3 4.2 -178.8 74.8 101.4 69.4 57 -1.8 75 -2.5 0 0.0 0 0.0 12 51
61 C 61 ARG R g < T + 0 0 -115.2 164.5 179.2 63.2 62.1 134.0 58 -1.4 0 0.0 0 0.0 0 0.0 11 44
62 C 62 GLY G e - 0 0 103.2 148.7 178.8 -122.2 56.0 87.8 0 0.0 73 -2.9 0 0.0 0 0.0 10 38
63 C 63 ILE I E E BC + 72 0 -128.4 115.1 -179.2 151.5 44.6 169.7 0 0.0 0 0.0 0 0.0 0 0.0 11 45
64 C 64 ARG R E E BC - 71 0 -136.6 -179.5 179.4 -114.6 38.2 141.8 71 -2.5 71 -3.4 0 0.0 0 0.0 8 36
65 C 65 GLU E E E BC - 70 0 -126.5 131.1 177.9 -177.5 16.6 169.1 0 0.0 0 0.0 0 0.0 0 0.0 8 28
66 C 66 GLU E E E BC > TS- 69 0 -125.8 97.8 -178.4 -53.8 72.0 157.0 69 -2.3 69 -1.8 0 0.0 0 0.0 7 22
67 C 67 GLY G T T 3 TS- 0 0 70.8 -123.3 179.8 -21.4 120.7 122.1 0 0.0 0 0.0 0 0.0 0 0.0 4 17
68 C 68 SER S T e 3 TS+ 0 0 -103.6 15.6 -179.4 99.4 118.0 78.6 0 0.0 174 -2.9 0 0.0 0 0.0 7 26
69 C 69 THR T E E BCD< T - 66 173 -106.7 129.9 177.5 -141.9 65.4 151.1 66 -1.8 66 -2.3 0 0.0 0 0.0 10 33
70 C 70 VAL V E E BCD - 65 172 -89.6 128.3 -179.3 -153.5 17.1 142.8 172 -3.7 172 -2.4 0 0.0 72 -0.6 15 44
71 C 71 VAL V E E BCD - 64 171 -108.5 120.6 -179.2 -174.1 12.0 158.9 64 -3.4 64 -2.5 0 0.0 73 -0.5 13 49
72 C 72 ILE I E E BCD - 63 170 -118.2 120.7 179.0 -123.3 25.6 163.8 170 -2.5 170 -3.4 70 -0.6 0 0.0 12 63
73 C 73 GLY G E E B D> T - 0 169 -60.1 135.8 -179.4 -125.8 21.0 110.0 62 -2.9 76 -2.5 71 -0.5 0 0.0 14 58
74 C 74 ALA A T e 3 TS+ 0 0 -52.3 -32.5 -179.3 55.5 110.5 36.1 168 -2.6 113 -1.9 0 0.0 0 0.0 14 61
75 C 75 MET M T T 3 TS+ 0 0 -87.2 11.2 177.7 132.1 74.6 75.0 60 -2.5 0 0.0 0 0.0 0 0.0 13 57
76 C 76 THR T t < T - 0 0 -64.9 128.6 -179.8 -126.8 58.3 119.2 73 -2.5 112 -2.0 0 0.0 0 0.0 15 55
77 C 77 VAL V B h > A > T - 111 0 -78.3 147.0 -178.5 -112.8 17.5 119.1 0 0.0 81 -1.1 0 0.0 80 -1.0 13 56
78 C 78 GLU E H H > > TS+ 0 0 -47.9 -44.4 179.6 50.3 116.0 31.6 110 -2.5 82 -1.4 0 0.0 81 -0.5 14 57
79 C 79 ASN N H H > 3 TS+ 0 0 -67.7 -28.2 178.9 55.6 106.0 38.9 107 -2.3 83 -2.1 0 0.0 0 0.0 11 47
80 C 80 ASP D H H > < TS+ 0 0 -75.0 -21.0 178.3 54.8 104.5 43.9 77 -1.0 84 -0.9 0 0.0 0 0.0 9 45
81 C 81 LEU L H H < < TS+ 0 0 -75.2 -39.9 180.0 45.8 110.6 28.7 77 -1.1 0 0.0 78 -0.5 0 0.0 12 56
82 C 82 ILE I H H < TS+ 0 0 -70.8 -39.6 -178.2 40.7 118.3 30.9 78 -1.4 0 0.0 0 0.0 0 0.0 13 41
83 C 83 SER S H H < TS+ 0 0 -89.1 -10.1 179.8 116.1 84.7 54.0 79 -2.1 0 0.0 0 0.0 0 0.0 9 33
84 C 84 SER S h X T - 0 0 -63.2 117.5 179.6 -155.0 54.1 114.8 80 -0.9 88 -2.6 0 0.0 0 0.0 10 38
85 C 85 PRO P H H > TS+ 0 0 -64.1 -26.4 177.9 52.6 96.6 34.3 0 0.0 89 -1.6 0 0.0 0 0.0 6 29
86 C 86 ILE I H H > TS+ 0 0 -71.4 -51.7 179.6 43.7 111.2 14.4 0 0.0 90 -3.0 0 0.0 0 0.0 10 37
87 C 87 VAL V H H > TS+ 0 0 -60.8 -35.3 179.7 54.2 113.6 28.5 0 0.0 91 -1.8 0 0.0 0 0.0 14 47
88 C 88 GLN Q H H < TS+ 0 0 -66.6 -38.4 -178.7 33.4 117.5 30.2 84 -2.6 0 0.0 0 0.0 0 0.0 13 38
89 C 89 ALA A H H < TS+ 0 0 -86.7 -37.2 -177.5 31.0 130.6 31.5 85 -1.6 0 0.0 0 0.0 0 0.0 7 36
90 C 90 ARG R H H < TS+ 0 0 -95.2 -27.9 -179.5 21.1 134.7 44.9 86 -3.0 175 -2.8 0 0.0 0 0.0 9 41
91 C 91 LEU L h X > T + 0 0 -140.3 60.4 -179.7 166.1 63.8 114.6 87 -1.8 95 -1.3 0 0.0 94 -1.1 11 59
92 C 92 PRO P H H > 3 TS+ 0 0 -48.0 -29.5 179.6 66.0 73.8 39.4 0 0.0 96 -2.1 0 0.0 0 0.0 9 50
93 C 93 LEU L H H > 3 TS+ 0 0 -59.8 -49.8 -178.5 45.8 101.2 23.0 0 0.0 97 -2.7 0 0.0 0 0.0 10 67
94 C 94 LEU L H H > < TS+ 0 0 -63.2 -39.9 -179.5 51.6 112.1 26.2 91 -1.1 98 -1.8 0 0.0 0 0.0 12 67
95 C 95 ALA A H H < TS+ 0 0 -64.8 -42.9 -179.4 37.9 117.1 25.6 91 -1.3 0 0.0 0 0.0 0 0.0 14 50
96 C 96 GLU E H H < > TS+ 0 0 -76.9 -40.7 -179.5 51.1 115.9 27.1 92 -2.1 99 -0.8 0 0.0 0 0.0 9 48
97 C 97 ALA A H H < > TS+ 0 0 -67.0 -31.8 179.8 64.4 99.7 36.7 93 -2.7 100 -1.6 0 0.0 0 0.0 9 64
98 C 98 ALA A G h < > TS+ 0 0 -63.3 -25.1 179.5 67.7 90.5 38.1 94 -1.8 101 -1.8 0 0.0 0 0.0 11 61
99 C 99 LYS K G G < TS+ 0 0 -65.4 -22.7 -179.8 57.4 94.7 43.6 96 -0.8 0 0.0 0 0.0 0 0.0 9 49
100 C 100 LEU L G G < TS+ 0 0 -88.7 2.5 -179.3 100.9 86.4 68.6 97 -1.6 102 -0.5 0 0.0 0 0.0 10 53
101 C 101 ILE I S g < TS- 0 0 -96.6 123.9 177.9 -59.7 95.4 143.6 98 -1.8 0 0.0 0 0.0 0 0.0 12 60
102 C 102 ALA A S S S- 0 0 49.3 -131.3 179.7 -61.8 84.5 95.6 100 -0.5 0 0.0 0 0.0 0 0.0 11 44
103 C 103 ASP D t > T - 0 0 -140.1 177.2 -179.6 -81.6 54.8 147.2 0 0.0 107 -2.7 0 0.0 0 0.0 9 34
104 C 104 PRO P T T 4 TS+ 0 0 -52.6 -47.4 -179.7 46.6 124.7 26.4 0 0.0 0 0.0 0 0.0 0 0.0 7 28
105 C 105 GLN Q T g 4 > TS+ 0 0 -61.2 -50.0 179.7 46.9 113.9 21.0 0 0.0 108 -1.4 0 0.0 0 0.0 6 25
106 C 106 VAL V G G > > TS+ 0 0 -59.0 -40.9 -179.8 57.6 108.5 23.7 0 0.0 110 -3.2 0 0.0 109 -1.9 9 38
107 C 107 ARG R G G < 3 TS+ 0 0 -68.3 -10.1 177.9 64.1 95.5 55.8 103 -2.7 79 -2.3 0 0.0 0 0.0 13 43
108 C 108 ASN N G G 4 < TS+ 0 0 -87.7 -7.5 -179.0 20.0 121.0 59.8 105 -1.4 0 0.0 0 0.0 0 0.0 10 35
109 C 109 ARG R T g 4 < TS+ 0 0 -126.6 -44.5 179.5 93.2 99.0 50.4 106 -1.9 0 0.0 0 0.0 0 0.0 11 41
110 C 110 GLY G t < T - 0 0 -59.0 134.0 -179.8 -149.4 63.7 109.3 106 -3.2 78 -2.5 0 0.0 0 0.0 14 51
111 C 111 THR T B h > A T - 77 0 -108.8 153.6 178.7 -126.6 22.1 140.1 0 0.0 115 -2.3 0 0.0 0 0.0 14 68
112 C 112 ILE I H H > TS+ 0 0 -60.7 -41.0 178.7 52.6 114.2 24.8 76 -2.0 116 -1.8 0 0.0 0 0.0 12 74
113 C 113 GLY G H H > TS+ 0 0 -63.1 -39.5 178.6 46.0 110.4 30.0 74 -1.9 117 -3.0 0 0.0 0 0.0 13 77
114 C 114 GLY G H H > TS+ 0 0 -71.3 -35.7 179.9 55.4 109.1 30.1 0 0.0 118 -2.2 0 0.0 0 0.0 12 69
115 C 115 ASP D H H < TS+ 0 0 -63.9 -36.7 179.5 38.4 116.2 29.6 111 -2.3 0 0.0 0 0.0 0 0.0 14 71
116 C 116 ILE I H H < > TS+ 0 0 -79.6 -48.9 -179.5 51.2 115.0 19.6 112 -1.8 119 -1.3 0 0.0 0 0.0 11 75
117 C 117 ALA A H H < 3 TS+ 0 0 -58.4 -32.6 -179.6 67.3 98.3 36.5 113 -3.0 0 0.0 0 0.0 0 0.0 10 68
118 C 118 HIS H T h < 3 TS- 0 0 -59.6 -32.2 177.6 -152.5 89.0 34.3 114 -2.2 0 0.0 0 0.0 0 0.0 9 57
119 C 119 GLY G t < T + 0 0 65.6 24.0 179.6 159.0 32.9 43.2 116 -1.3 157 -2.7 0 0.0 0 0.0 15 51
120 C 120 ASP D t > T - 0 0 -81.5 126.8 179.6 -144.5 41.9 132.0 0 0.0 123 -1.5 0 0.0 0 0.0 10 53
121 C 121 PRO P T T 3 TS+ 0 0 -60.9 -24.5 179.9 63.1 101.5 40.2 0 0.0 218 -1.5 0 0.0 0 0.0 15 58
122 C 122 GLY G T T 3 TS+ 0 0 -72.7 -24.4 -179.8 94.4 84.4 42.9 0 0.0 194 -0.7 0 0.0 0 0.0 8 61
123 C 123 ASN N t < T - 0 0 -68.5 155.9 -178.0 -142.6 68.1 106.8 120 -1.5 0 0.0 0 0.0 0 0.0 13 65
124 C 124 ASP D S h > TS+ 0 0 -90.1 -37.1 -178.9 67.2 86.4 33.4 0 0.0 128 -2.1 0 0.0 0 0.0 11 74
125 C 125 HIS H H H > TS+ 0 0 -58.0 -33.7 179.3 65.5 89.9 37.3 0 0.0 129 -3.3 0 0.0 0 0.0 9 82
126 C 126 PRO P H H > TS+ 0 0 -54.9 -54.6 179.5 35.8 110.4 9.8 0 0.0 130 -1.5 0 0.0 0 0.0 15 74
127 C 127 ALA A H H > TS+ 0 0 -63.0 -41.4 179.3 53.5 118.1 23.9 0 0.0 131 -2.5 0 0.0 0 0.0 15 77
128 C 128 LEU L H H X TS+ 0 0 -59.3 -41.9 -179.1 52.4 106.0 25.9 124 -2.1 132 -2.0 0 0.0 0 0.0 13 80
129 C 129 SER S H H < >TS+ 0 0 -65.3 -32.7 178.8 49.2 109.9 33.4 125 -3.3 134 -2.6 0 0.0 0 0.0 12 78
130 C 130 ILE I H H < >5TS+ 0 0 -71.4 -46.4 179.7 51.3 109.4 20.0 126 -1.5 133 -1.2 0 0.0 0 0.0 14 63
131 C 131 ALA A H H < 35TS+ 0 0 -59.0 -39.1 -179.8 42.7 114.4 30.5 127 -2.5 0 0.0 0 0.0 0 0.0 14 65
132 C 132 VAL V T h < 35TS- 0 0 -87.3 -2.0 178.5 -122.3 111.2 63.1 128 -2.0 0 0.0 0 0.0 0 0.0 10 67
133 C 133 GLU E T T <5T + 0 0 64.4 39.3 -179.6 179.7 46.3 33.4 130 -1.2 0 0.0 0 0.0 0 0.0 11 58
134 C 134 ALA A e T - 0 143 -122.6 -169.7 179.9 -78.7 59.7 121.9 143 -3.0 143 -0.8 138 -0.5 0 0.0 10 34
141 C 141 PRO P T T 3 TS+ 0 0 -66.2 -24.3 -179.3 50.0 129.6 37.4 0 0.0 0 0.0 0 0.0 0 0.0 10 29
142 C 142 ASN N T T 3 TS- 0 0 -90.7 -9.3 179.8 -95.6 120.7 56.9 0 0.0 0 0.0 0 0.0 0 0.0 5 24
143 C 143 GLY G E E BF < T - 140 0 134.7 -153.1 -179.6 -30.8 58.0 163.4 140 -0.8 140 -3.0 0 0.0 0 0.0 6 26
144 C 144 ARG R E E BF + 139 0 -110.8 154.7 178.9 178.9 42.3 139.7 0 0.0 0 0.0 0 0.0 0 0.0 8 30
145 C 145 ARG R E E BF - 138 0 -149.5 143.3 179.0 -141.1 18.3 167.8 138 -1.5 138 -3.3 0 0.0 0 0.0 7 30
146 C 146 THR T E E BF - 137 0 -113.6 131.4 179.7 -176.7 19.0 162.0 0 0.0 0 0.0 0 0.0 0 0.0 8 37
147 C 147 VAL V E E BF - 136 0 -124.8 148.9 179.9 -110.2 26.7 157.0 136 -2.2 136 -3.4 0 0.0 0 0.0 10 38
148 C 148 PRO P E E BF - 135 0 -78.0 150.0 177.8 -131.2 15.2 117.9 0 0.0 0 0.0 0 0.0 0 0.0 10 43
149 C 149 ALA A S e > TS+ 0 0 -61.8 -42.9 179.0 72.9 102.7 20.7 134 -2.5 152 -2.0 0 0.0 151 -1.9 13 60
150 C 150 ASP D T T 3 TS+ 0 0 -74.3 84.3 -179.0 20.1 112.2 121.3 0 0.0 0 0.0 0 0.0 0 0.0 10 50
151 C 151 GLY G T T 3 TS+ 0 0 137.0 -8.1 -179.4 96.6 98.6 77.1 149 -1.9 0 0.0 0 0.0 0 0.0 8 41
152 C 152 PHE F e < T + 0 0 -78.5 -29.0 -177.4 77.9 67.3 41.3 149 -2.0 160 -1.4 0 0.0 154 -0.7 10 50
153 C 153 PHE F E E CG + 159 0 -93.9 111.6 -177.3 161.7 46.8 141.1 0 0.0 0 0.0 0 0.0 0 0.0 13 51
154 C 154 LEU L E E C* - 0 0 -96.5 -36.8 179.9 -31.9 61.5 39.7 158 -1.7 0 0.0 152 -0.7 0 0.0 9 31
155 C 155 GLY G E E CG > TS- 158 0 -166.9 -174.9 179.7 -39.2 90.9 160.9 158 -1.7 158 -2.0 0 0.0 0 0.0 9 35
156 C 156 THR T T T 3 TS- 0 0 -66.0 115.8 -179.1 -6.9 131.7 119.7 0 0.0 0 0.0 0 0.0 0 0.0 9 34
157 C 157 TYR Y T T 3 TS+ 0 0 72.8 9.9 -179.1 113.8 116.4 58.4 119 -2.7 0 0.0 0 0.0 0 0.0 9 37
158 C 158 MET M E E CG < T + 155 0 -119.4 131.1 179.1 159.0 34.9 160.3 155 -2.0 155 -1.7 0 0.0 154 -1.7 10 31
159 C 159 THR T E E CG - 153 0 -134.9 179.4 179.5 -93.3 56.8 140.7 0 0.0 0 0.0 0 0.0 0 0.0 10 44
160 C 160 LEU L S e S+ 0 0 -70.7 -13.1 180.0 118.4 87.1 49.5 152 -1.4 0 0.0 0 0.0 0 0.0 8 39
161 C 161 LEU L - 0 0 -58.5 130.2 179.3 -138.1 61.2 106.5 0 0.0 0 0.0 0 0.0 0 0.0 11 51
162 C 162 GLU E t > T - 0 0 -90.0 153.2 -179.3 -111.1 21.8 128.9 0 0.0 165 -2.2 0 0.0 0 0.0 5 43
163 C 163 GLU E T T 3 TS+ 0 0 -57.1 -20.6 179.5 48.9 118.1 47.8 0 0.0 0 0.0 0 0.0 0 0.0 7 38
164 C 164 ASN N T T 3 TS+ 0 0 -107.1 21.0 179.5 94.6 97.2 82.9 0 0.0 0 0.0 0 0.0 0 0.0 10 41
165 C 165 GLU E t < T - 0 0 -114.3 158.3 178.8 -155.6 54.8 142.0 162 -2.2 0 0.0 0 0.0 0 0.0 12 53
166 C 166 VAL V E E B E - 0 139 -130.1 123.8 177.9 -127.5 23.3 177.2 139 -1.7 139 -2.5 0 0.0 168 -0.5 11 65
167 C 167 MET M E E B E - 0 138 -72.9 121.0 -178.7 -178.1 29.2 131.6 0 0.0 0 0.0 0 0.0 0 0.0 12 67
168 C 168 VAL V E E B * - 0 0 -87.8 -47.9 -178.4 -10.2 53.6 26.5 137 -2.9 74 -2.6 166 -0.5 0 0.0 13 62
169 C 169 GLU E E E BDE - 73 137 -154.5 160.4 178.8 -125.2 52.3 170.1 137 -0.7 137 -2.3 0 0.0 171 -0.6 13 57
170 C 170 ILE I E E BDE - 72 136 -112.0 116.5 -179.5 -162.7 26.6 161.7 72 -3.4 72 -2.5 0 0.0 172 -0.5 13 63
171 C 171 ARG R E E BDE + 71 135 -103.4 127.9 -179.8 171.1 13.9 152.0 135 -3.0 135 -2.5 169 -0.6 0 0.0 12 55
172 C 172 VAL V E E BD - 70 0 -140.3 135.5 179.7 -111.1 35.5 175.4 70 -2.4 70 -3.7 170 -0.5 0 0.0 11 54
173 C 173 PRO P E E BD - 69 0 -63.8 133.5 179.3 -109.2 41.8 116.4 0 0.0 0 0.0 0 0.0 0 0.0 10 46
174 C 174 ALA A e - 0 0 -62.4 140.8 179.4 -97.4 41.4 112.7 68 -2.9 0 0.0 0 0.0 0 0.0 9 44
175 C 175 PHE F - 0 0 -60.4 132.9 177.5 -120.6 38.8 113.9 90 -2.8 0 0.0 0 0.0 0 0.0 8 49
176 C 176 ALA A t > T - 0 0 -73.1 146.2 -179.9 -79.1 47.5 120.8 0 0.0 179 -1.7 0 0.0 0 0.0 5 37
177 C 177 GLN Q T T 3 TS+ 0 0 -49.3 126.2 -179.8 23.7 120.7 103.1 0 0.0 0 0.0 0 0.0 0 0.0 5 27
178 C 178 GLY G T T 3 TS+ 0 0 93.3 7.9 179.3 156.9 82.9 57.1 0 0.0 287 -1.5 0 0.0 0 0.0 10 33
179 C 179 THR T t < T - 0 0 -69.8 130.1 178.3 -145.9 31.1 119.8 176 -1.7 0 0.0 0 0.0 0 0.0 13 45
180 C 180 GLY G E E DH + 202 0 -93.8 154.6 -178.5 167.2 25.5 133.1 202 -3.5 202 -2.9 0 0.0 0 0.0 15 52
181 C 181 TRP W E E DH + 201 0 -158.5 170.6 178.9 173.9 12.9 165.8 0 0.0 0 0.0 0 0.0 0 0.0 16 62
182 C 182 ALA A E E DH - 200 0 -179.6 150.9 175.8 -157.7 19.2 158.1 200 -1.9 200 -2.7 0 0.0 0 0.0 13 58
183 C 183 TYR Y E E DH - 199 0 -139.5 101.8 179.4 -170.0 15.9 151.6 0 0.0 185 -0.7 0 0.0 0 0.0 12 65
184 C 184 GLU E E E DH - 198 0 -96.6 117.9 -179.6 -175.7 8.6 152.2 198 -2.2 198 -2.0 0 0.0 0 0.0 11 62
185 C 185 LYS K E E DH - 197 0 -122.4 115.6 178.8 -156.9 15.5 161.7 183 -0.7 187 -0.6 0 0.0 0 0.0 11 59
186 C 186 LEU L E E DH + 196 0 -87.1 122.3 -177.7 164.2 29.6 141.8 196 -2.6 195 -3.6 0 0.0 196 -1.0 10 45
187 C 187 LYS K - 0 0 -144.1 146.9 179.4 -131.3 47.0 174.3 185 -0.6 0 0.0 0 0.0 0 0.0 10 37
188 C 188 ARG R S S S- 0 0 -62.9 -36.5 -179.5 -12.4 91.4 34.4 0 0.0 0 0.0 0 0.0 0 0.0 8 26
189 C 189 LYS K S t > TS- 0 0 -157.6 168.0 178.5 -70.1 89.2 164.7 0 0.0 192 -1.3 0 0.0 0 0.0 5 20
190 C 190 THR T T T 3 TS+ 0 0 -65.3 134.8 179.6 24.6 118.2 115.3 0 0.0 0 0.0 0 0.0 0 0.0 8 26
191 C 191 GLY G T T 3 TS+ 0 0 85.2 13.9 179.9 115.5 97.4 50.4 0 0.0 0 0.0 0 0.0 0 0.0 8 32
192 C 192 ASP D S t < TS- 0 0 -111.4 161.9 178.5 -95.5 72.5 137.3 189 -1.3 0 0.0 0 0.0 0 0.0 9 37
193 C 193 TRP W - 0 0 -74.7 149.9 -178.8 -91.5 52.5 116.7 0 0.0 0 0.0 0 0.0 0 0.0 9 52
194 C 194 ALA A - 0 0 -63.4 144.3 174.9 -153.6 16.2 106.1 122 -0.7 0 0.0 0 0.0 0 0.0 14 61
195 C 195 THR T S S S- 0 0 -79.8 -32.9 178.5 -16.7 92.0 39.5 186 -3.6 0 0.0 0 0.0 0 0.0 14 55
196 C 196 ALA A E E DH S- 186 0 -166.6 144.2 179.3 -179.1 75.1 158.4 186 -1.0 186 -2.6 0 0.0 0 0.0 16 69
197 C 197 GLY G E E DHI - 185 217 -150.4 157.1 179.3 -156.4 11.9 172.1 217 -1.4 217 -2.7 0 0.0 0 0.0 15 75
198 C 198 CYS C E E DHI - 184 216 -143.0 124.5 178.6 -161.2 3.1 165.4 184 -2.0 184 -2.2 0 0.0 0 0.0 17 79
199 C 199 ALA A E E DHI - 183 215 -102.9 135.7 -179.9 -178.3 16.6 149.8 215 -2.6 215 -2.5 0 0.0 0 0.0 18 78
200 C 200 VAL V E E DHI + 182 214 -139.2 139.1 175.4 178.9 17.4 177.0 182 -2.7 182 -1.9 0 0.0 0 0.0 16 76
201 C 201 VAL V E E DHI + 181 213 -134.4 127.7 -179.6 166.4 22.8 173.5 213 -1.7 213 -2.2 0 0.0 0 0.0 15 69
202 C 202 MET M E E DHI - 180 212 -147.3 154.9 178.4 -149.4 25.8 173.4 180 -2.9 180 -3.5 0 0.0 0 0.0 15 64
203 C 203 ARG R E E D I - 0 211 -122.2 150.7 -177.7 -144.6 16.5 156.7 211 -2.2 210 -2.1 0 0.0 211 -1.4 13 47
204 C 204 LYS K E E D I - 0 209 -118.1 151.3 178.9 -177.6 15.4 145.3 0 0.0 0 0.0 0 0.0 0 0.0 15 37
205 C 205 SER S E E D I> TS- 0 208 -148.2 97.3 -178.2 -48.1 71.0 142.8 208 -2.1 208 -1.5 0 0.0 0 0.0 7 28
206 C 206 GLY G T T 3 TS- 0 0 74.7 -125.0 178.9 -24.7 120.9 127.0 0 0.0 0 0.0 0 0.0 0 0.0 4 24
207 C 207 ASN N T T 3 TS+ 0 0 -105.3 15.5 -178.5 83.2 124.1 77.7 0 0.0 238 -2.0 0 0.0 0 0.0 7 29
208 C 208 THR T E E DIB< TS- 205 237 -120.8 160.8 178.9 -105.9 83.1 142.2 205 -1.5 205 -2.1 0 0.0 210 -0.6 11 35
209 C 209 VAL V E E DIc + 204 234 -84.9 117.8 -179.9 175.8 32.4 138.0 236 -2.3 235 -3.4 233 -0.6 0 0.0 15 45
210 C 210 SER S E E D* + 0 0 -96.4 -16.7 179.6 20.2 69.8 51.7 203 -2.1 0 0.0 208 -0.6 0 0.0 10 38
211 C 211 HIS H E E DI + 203 0 -153.4 136.3 -179.1 178.6 67.5 165.5 203 -1.4 203 -2.2 0 0.0 0 0.0 9 49
212 C 212 ILE I E E DI + 202 0 -151.9 131.1 177.9 175.0 13.2 166.0 0 0.0 0 0.0 0 0.0 0 0.0 12 64
213 C 213 ARG R E E DI - 201 0 -130.9 122.0 179.2 -177.1 11.8 172.7 201 -2.2 201 -1.7 0 0.0 0 0.0 15 66
214 C 214 ILE I E E DI + 200 0 -125.3 126.5 179.8 174.8 4.8 170.9 0 0.0 226 -3.1 0 0.0 0 0.0 16 77
215 C 215 ALA A E E DIJ - 199 225 -133.7 146.1 -176.3 -141.5 17.5 169.6 199 -2.5 199 -2.6 0 0.0 0 0.0 15 78
216 C 216 LEU L E E DIJ - 198 224 -116.3 132.5 180.0 -149.2 6.7 154.8 224 -3.3 224 -1.9 0 0.0 0 0.0 15 78
217 C 217 THR T E E DI S- 197 0 -102.8 134.4 177.8 -11.1 71.5 143.1 197 -2.7 197 -1.4 0 0.0 0 0.0 19 74
218 C 218 ASN N S S S+ 0 0 54.8 34.6 179.9 106.4 96.9 45.0 121 -1.5 0 0.0 0 0.0 0 0.0 15 71
219 C 219 VAL V S S S+ 0 0 -124.5 19.5 179.4 19.3 83.4 80.9 0 0.0 255 -3.1 0 0.0 0 0.0 17 63
220 C 220 ALA A S S S- 0 0 -170.0 172.5 179.9 -79.5 100.2 158.9 0 0.0 0 0.0 0 0.0 0 0.0 12 53
221 C 221 PRO P S S S+ 0 0 -62.4 -10.6 179.9 20.5 117.4 49.8 0 0.0 0 0.0 0 0.0 0 0.0 11 42
222 C 222 THR T S S S- 0 0 -147.3 167.4 176.7 -81.4 100.2 157.8 0 0.0 0 0.0 0 0.0 0 0.0 14 53
223 C 223 ALA A - 0 0 -69.1 146.9 -178.1 -145.0 55.2 118.8 0 0.0 0 0.0 0 0.0 0 0.0 14 68
224 C 224 LEU L E E DJ - 216 0 -128.0 139.4 175.2 -145.0 15.8 162.5 216 -1.9 216 -3.3 0 0.0 0 0.0 9 66
225 C 225 ARG R E E DJ - 215 0 -88.8 143.4 -179.9 -143.2 20.7 136.6 0 0.0 227 -0.7 0 0.0 0 0.0 12 63
226 C 226 ALA A h > T + 0 0 -112.3 81.0 -178.7 163.0 31.4 135.6 214 -3.1 230 -1.9 0 0.0 0 0.0 13 61
227 C 227 GLU E H H > TS+ 0 0 -64.7 -44.7 178.1 50.1 77.0 26.4 225 -0.7 231 -2.6 0 0.0 0 0.0 8 43
228 C 228 ALA A H H > TS+ 0 0 -61.8 -33.5 178.4 51.6 112.0 30.8 0 0.0 232 -0.7 0 0.0 0 0.0 9 33
229 C 229 ALA A H H 4 > TS+ 0 0 -68.6 -38.2 179.0 50.6 108.4 28.0 0 0.0 232 -0.6 0 0.0 0 0.0 14 52
230 C 230 GLU E H H X > TS+ 0 0 -64.5 -42.0 -179.3 55.8 106.0 22.0 226 -1.9 234 -2.4 0 0.0 233 -2.0 12 58
231 C 231 ALA A H H < 3 TS+ 0 0 -64.5 -19.6 179.3 66.5 95.4 48.1 227 -2.6 0 0.0 0 0.0 0 0.0 8 40
232 C 232 ALA A T h < < TS+ 0 0 -76.3 -13.3 -178.6 25.8 116.5 48.3 228 -0.7 0 0.0 229 -0.6 0 0.0 12 40
233 C 233 LEU L T T 4 X TS+ 0 0 -116.9 -39.9 -177.2 112.1 86.4 40.7 230 -2.0 236 -2.3 0 0.0 209 -0.6 14 46
234 C 234 LEU L B B < c 3 TS- 209 0 -49.0 120.6 179.2 -2.6 97.2 99.9 230 -2.4 0 0.0 0 0.0 0 0.0 11 39
235 C 235 GLY G T T 3 TS+ 0 0 74.0 12.0 -179.9 110.9 111.9 53.3 209 -3.4 0 0.0 0 0.0 0 0.0 7 28
236 C 236 LYS K S t < TS- 0 0 -115.6 157.6 178.3 -94.0 78.2 142.2 233 -2.3 209 -2.3 0 0.0 0 0.0 9 31
237 C 237 ALA A B B B - 208 0 -67.1 144.7 179.4 -108.2 45.1 115.2 0 0.0 239 -1.2 0 0.0 0 0.0 9 32
238 C 238 PHE F + 0 0 -79.4 99.2 -179.2 154.3 60.8 131.7 207 -2.0 0 0.0 0 0.0 0 0.0 10 43
239 C 239 THR T h > T - 0 0 -126.1 161.8 179.0 -110.7 59.2 150.0 237 -1.2 243 -2.5 0 0.0 0 0.0 6 35
240 C 240 LYS K H H > TS+ 0 0 -54.3 -43.1 -179.3 52.9 119.4 26.3 0 0.0 244 -2.4 0 0.0 0 0.0 6 30
241 C 241 GLU E H H > TS+ 0 0 -62.2 -42.3 179.9 47.6 109.1 29.3 0 0.0 245 -2.0 0 0.0 0 0.0 6 28
242 C 242 ALA A H H > TS+ 0 0 -66.9 -41.5 179.5 51.6 110.8 25.5 0 0.0 246 -2.4 0 0.0 0 0.0 12 39
243 C 243 VAL V H H X TS+ 0 0 -62.1 -42.1 179.6 48.1 111.0 24.3 239 -2.5 247 -2.5 0 0.0 0 0.0 14 48
244 C 244 GLN Q H H X TS+ 0 0 -65.6 -40.2 179.1 53.1 109.3 26.5 240 -2.4 248 -2.8 0 0.0 0 0.0 9 38
245 C 245 ALA A H H X TS+ 0 0 -60.7 -42.3 179.0 48.5 109.9 23.9 241 -2.0 249 -2.3 0 0.0 0 0.0 10 39
246 C 246 ALA A H H X TS+ 0 0 -63.9 -44.1 179.2 51.0 110.4 22.5 242 -2.4 250 -2.2 0 0.0 0 0.0 16 57
247 C 247 ALA A H H X TS+ 0 0 -58.9 -45.9 179.7 47.7 111.6 20.8 243 -2.5 251 -3.1 0 0.0 0 0.0 14 55
248 C 248 ASP D H H X TS+ 0 0 -63.5 -39.0 179.7 51.1 110.7 30.1 244 -2.8 252 -2.1 0 0.0 0 0.0 10 43
249 C 249 ALA A H H X TS+ 0 0 -67.3 -34.1 178.5 45.6 113.3 32.2 245 -2.3 253 -0.6 0 0.0 0 0.0 12 42
250 C 250 ALA A H H < > TS+ 0 0 -72.6 -44.4 179.4 54.3 109.9 23.8 246 -2.2 253 -1.1 0 0.0 0 0.0 14 57
251 C 251 ILE I H H < > TS+ 0 0 -56.7 -38.0 -179.2 62.6 100.7 27.9 247 -3.1 254 -1.5 0 0.0 0 0.0 11 47
252 C 252 ALA A H H < 3 TS+ 0 0 -60.9 -29.2 -178.9 46.6 103.5 40.3 248 -2.1 0 0.0 0 0.0 0 0.0 6 37
253 C 253 ILE I T h < < TS+ 0 0 -96.5 2.6 179.2 117.6 84.6 67.5 250 -1.1 0 0.0 249 -0.6 0 0.0 7 42
254 C 254 CYS C t < T + 0 0 -71.3 144.3 178.1 173.2 31.8 115.2 251 -1.5 0 0.0 0 0.0 0 0.0 10 49
255 C 255 GLU E - 0 0 -146.4 61.8 -178.9 -175.0 20.8 115.0 219 -3.1 0 0.0 0 0.0 0 0.0 9 41
256 C 256 PRO P - 0 0 -67.5 149.1 177.5 -127.0 22.0 103.4 0 0.0 0 0.0 0 0.0 0 0.0 12 42
257 C 257 ALA A - 0 0 -94.3 136.9 179.5 -121.0 25.3 140.6 0 0.0 0 0.0 0 0.0 0 0.0 9 35
258 C 258 GLU E + 0 0 -83.4 124.7 177.5 126.8 54.5 134.6 0 0.0 0 0.0 0 0.0 0 0.0 8 26
259 C 259 ASP D B B D > TS- 262 0 -150.6 -159.8 -178.5 -56.6 75.4 138.8 262 -1.9 262 -1.6 0 0.0 0 0.0 6 26
260 C 260 LEU L T T 3 TS+ 0 0 -70.2 -10.0 178.0 64.5 125.8 52.8 0 0.0 0 0.0 0 0.0 0 0.0 5 23
261 C 261 ARG R T T 3 TS- 0 0 -86.6 -9.7 178.6 -78.2 121.5 56.9 0 0.0 0 0.0 0 0.0 0 0.0 7 34
262 C 262 GLY G B B D < T - 259 0 136.6 170.9 178.1 -70.6 48.3 134.0 259 -1.6 259 -1.9 0 0.0 0 0.0 10 30
263 C 263 ASP D h > T - 0 0 -88.6 178.9 -179.7 -94.5 53.3 106.5 0 0.0 267 -2.4 0 0.0 0 0.0 11 23
264 C 264 ALA A H H > TS+ 0 0 -60.7 -36.6 179.9 60.2 124.2 29.3 0 0.0 268 -2.5 0 0.0 0 0.0 10 31
265 C 265 ASP D H H > TS+ 0 0 -56.6 -52.0 179.9 37.6 110.8 20.3 0 0.0 269 -1.9 0 0.0 0 0.0 7 29
266 C 266 TYR Y H H > TS+ 0 0 -69.6 -46.2 -179.1 50.2 116.5 24.3 0 0.0 270 -2.7 0 0.0 0 0.0 8 33
267 C 267 LYS K H H X TS+ 0 0 -61.9 -40.0 178.9 48.3 112.1 24.3 263 -2.4 271 -2.2 0 0.0 0 0.0 13 48
268 C 268 THR T H H X TS+ 0 0 -64.0 -49.0 179.8 47.5 112.9 18.6 264 -2.5 272 -2.0 0 0.0 0 0.0 14 47
269 C 269 ALA A H H X TS+ 0 0 -59.8 -40.2 179.7 48.6 113.6 27.0 265 -1.9 273 -1.7 0 0.0 0 0.0 9 44
270 C 270 MET M H H X TS+ 0 0 -70.3 -32.1 178.1 58.2 105.2 31.7 266 -2.7 274 -2.8 0 0.0 0 0.0 11 49
271 C 271 ALA A H H X TS+ 0 0 -61.4 -46.2 179.4 45.5 108.7 19.8 267 -2.2 275 -1.8 0 0.0 0 0.0 17 65
272 C 272 GLY G H H X TS+ 0 0 -64.9 -35.6 179.3 52.3 112.2 29.8 268 -2.0 276 -2.2 0 0.0 0 0.0 12 58
273 C 273 GLN Q H H X TS+ 0 0 -68.2 -39.7 178.9 48.1 109.6 25.7 269 -1.7 277 -2.2 0 0.0 0 0.0 9 51
274 C 274 MET M H H X TS+ 0 0 -70.4 -29.9 178.9 54.3 109.5 34.5 270 -2.8 278 -2.5 0 0.0 0 0.0 14 56
275 C 275 VAL V H H X TS+ 0 0 -67.5 -47.2 178.8 47.4 108.7 18.7 271 -1.8 279 -3.0 0 0.0 0 0.0 16 70
276 C 276 LYS K H H X TS+ 0 0 -59.4 -44.3 179.1 44.9 116.3 23.0 272 -2.2 280 -2.0 0 0.0 0 0.0 12 53
277 C 277 ARG R H H X TS+ 0 0 -67.9 -38.9 180.0 48.3 114.5 29.0 273 -2.2 281 -2.3 0 0.0 0 0.0 9 47
278 C 278 ALA A H H X TS+ 0 0 -66.6 -50.4 179.4 47.2 112.3 17.4 274 -2.5 282 -3.0 0 0.0 0 0.0 15 62
279 C 279 LEU L H H X TS+ 0 0 -57.1 -44.0 180.0 47.3 115.3 23.6 275 -3.0 283 -2.7 0 0.0 0 0.0 12 64
280 C 280 ASN N H H X TS+ 0 0 -65.8 -42.1 179.9 44.9 114.4 26.8 276 -2.0 284 -1.8 0 0.0 0 0.0 9 48
281 C 281 ALA A H H X TS+ 0 0 -70.6 -35.7 179.4 51.4 113.8 30.7 277 -2.3 285 -0.6 0 0.0 0 0.0 11 43
282 C 282 ALA A H H X > TS+ 0 0 -66.2 -47.2 180.0 51.5 107.5 19.3 278 -3.0 285 -1.3 0 0.0 286 -0.6 14 58
283 C 283 TRP W H H < > TS+ 0 0 -55.9 -45.8 179.9 56.1 105.4 22.5 279 -2.7 286 -1.9 0 0.0 0 0.0 12 50
284 C 284 ALA A H H < 3 TS+ 0 0 -59.7 -22.6 -179.9 52.4 106.2 45.6 280 -1.8 0 0.0 0 0.0 0 0.0 7 35
285 C 285 ARG R H H < < TS+ 0 0 -91.5 -8.8 179.4 103.7 88.8 57.0 282 -1.3 0 0.0 281 -0.6 0 0.0 10 40
286 C 286 CYS C h < < T 0 0 -74.9 150.0 179.9 999.9 999.9 114.4 283 -1.9 0 0.0 282 -0.6 0 0.0 12 36
287 C 287 ALA A 0 0 -162.2 999.9 999.9 999.9 999.9 121.8 178 -1.5 0 0.0 0 0.0 0 0.0 7 26
1ffvC.pdb
1FFV HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEE SSHHHHHHHHHHHGGGEEEESS TTHHHHHHTTS SEEEE TT GGG EEEETTEEEEETT BHHHHHH HHHHHH HHHHHHGGG Kabs/Sand
chirality ---+------+-++++++++++--++---+--+++++++++-++++-+----+++-++++-+----+-----++--++++++-++++++++++++++++ chirality
bends SSSSSSSSSSSSS SS SS SSSSSSSSSSS S SS SSS SSS SS SSSSSS SSSSSS SSSSSSSSS bends
turns TTTTTTTTTTTTTTTT TTTTTTTTTTTT TTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >>3<< >33< >33X>3<< >33< >33<>>3<< >33< >>><< 3-turns
bridge-2 bbbb DDDDD bridge-2
bridge-1 aaa bbbb aaa CCCC CCCC A bridge-1
sheets AAA AAAA AAAA BBBB BBBBB sheets
4-turns >>>>XXXXX<<<< >4>>X><<<< >>>><<>><<>><<<< 4-turns
summary EEE ShHHHHHHHHHHHhTeEEEESStThHHHHHHhTt eEEEEeTTgGGGgeEEEETeEEEEEeTthHHHHHHhHHHHHHhHHHHHHhGG summary
sequence MIPPRFEYHAPKSVGEAVALLGQLGSDAKLLAGGHSLLPMMKLRFAQPEHLIDINRIPELRGIREEGSTVVIGAMTVENDLISSPIVQARLPLLAEAAKL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand SS TTGGGT BHHHHHHT TT SHHHHHHHTT EEEEEETTEEEEEESTT EEETTEES TT EEEEEEEE TT EEEEEEE SSTTS SEEEEE Kabs/Sand
chirality ---++++++--++++++-+-++-++++++++-+-----+-+--+----+++++---++-+--++------+-----++-++----+---++--------+ chirality
bends SS SSSSSS SSSSSSS SS SSSSSSSSS SS SSS SSS S SS SS SSSSS SS bends
turns T TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTT TTTT TTTT TTTT TTTT turns
5-turns >5555< 5-turns
3-turns < >>3<< >33<>33< >33< >33< >33< >33< >33< >33< >33< 3-turns
bridge-2 FFFFFF EE*EEE IIII bridge-2
bridge-1 A EEEEE FFFFFF G*G GG DDDDD HHHHHHH HHHHH bridge-1
sheets BBBBBB BBBBBB CCC CC BBBBBBBB DDDDDDD DDDDD sheets
4-turns >44><44<>>>><<<< >>>>X<<<< 4-turns
summary gStTgGGGgthHHHHHHhttTTthHHHHHHHhTeEEEEEETTEEEEEEeTTeEEETTEEe tTTtEEEEEEEEe tTTtEEEEEEE StTTt SEEEEE summary
sequence IADPQVRNRGTIGGDIAHGDPGNDHPALSIAVEAHFVLEGPNGRRTVPADGFFLGTYMTLLEENEVMVEIRVPAFAQGTGWAYEKLKRKTGDWATAGCAV sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EEEEETTEEEEEEEEEESSSSS EE HHHHHTTBTSB HHHHHHHHHHHHHT BTTB HHHHHHHHHHHHHHHHHHHHHH Kabs/Sand
chirality +-----+-++++-+---++-+----++++++++-+--+-+++++++++++++++---+-+---++++++++++++++++++++++ chirality
bends SSSS SSSSSS SSSSSSSSSS SSSSSSSSSSSSSS SSS SSSSSSSSSSSSSSSSSSSSSS bends
turns TTTT TTTTTTTTTTT TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >>3>3<< >33< >>3<< 3-turns
bridge-2 IIIII Bc JJ bridge-2
bridge-1 HH II*IIIIIII JJ c B D D bridge-1
sheets DDDDD DDDDDDDDDD DD sheets
4-turns >>>4X<<4< >>>>XXXXXXX<<<< >>>>XXXXXXXXXXXXXXXX<<<< 4-turns
summary EEEEETTEEEEEEEEEESSSSS EEhHHHHHhTBTtB hHHHHHHHHHHHHHht BTTBhHHHHHHHHHHHHHHHHHHHHHHh summary
sequence VMRKSGNTVSHIRIALTNVAPTALRAEAAEAALLGKAFTKEAVQAAADAAIAICEPAEDLRGDADYKTAMAGQMVKRALNAAWARCA sequence
210 220 230 240 250 260 270 280