Secondary structure calculation program - copyright by David Keith Smith, 1989
1krhA.pdb
1KRH OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 337
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 A 2 SER S 0 0 999.9 -16.4 -179.2 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 19
2 A 3 ASN N - 0 0 89.4 130.7 -178.8 -136.7 999.9 60.5 0 0.0 0 0.0 0 0.0 0 0.0 7 27
3 A 4 HIS H E E AA - 19 0 -121.3 145.6 178.7 -131.4 8.4 155.2 19 -2.9 19 -2.6 0 0.0 5 -0.5 13 35
4 A 5 GLN Q E E AA - 18 0 -92.3 124.5 -179.0 -172.1 32.1 145.4 0 0.0 90 -1.4 0 0.0 0 0.0 11 36
5 A 6 VAL V E E AAb - 17 90 -127.5 132.1 179.3 -145.8 15.3 167.9 17 -3.0 17 -3.0 3 -0.5 0 0.0 12 50
6 A 7 ALA A E E AAb - 16 91 -94.7 136.3 178.0 -159.4 6.8 140.5 90 -2.7 92 -2.8 0 0.0 8 -0.6 11 47
7 A 8 LEU L E E AAb - 15 92 -116.0 112.2 179.9 -161.9 8.0 164.5 15 -3.1 15 -2.1 0 0.0 9 -0.6 12 58
8 A 9 GLN Q E E AAb - 14 93 -98.2 124.3 -178.5 -159.8 11.0 148.6 92 -3.3 94 -2.8 6 -0.6 0 0.0 12 41
9 A 10 PHE F e > T - 0 0 -102.6 166.2 -178.8 -105.9 30.9 125.7 13 -2.8 12 -1.5 7 -0.6 0 0.0 13 38
10 A 11 GLU E T T 3 TS+ 0 0 -61.8 -21.9 -179.7 63.1 114.1 47.9 96 -1.8 0 0.0 0 0.0 0 0.0 11 40
11 A 12 ASP D T T 3 TS- 0 0 -92.1 19.3 179.0 -102.3 120.3 79.7 0 0.0 0 0.0 0 0.0 0 0.0 7 26
12 A 13 GLY G S t < TS+ 0 0 72.1 15.5 179.5 134.6 81.2 48.3 9 -1.5 0 0.0 0 0.0 0 0.0 6 23
13 A 14 VAL V e - 0 0 -98.9 144.6 178.7 -158.7 39.4 139.1 0 0.0 9 -2.8 0 0.0 0 0.0 9 26
14 A 15 THR T E E AA - 8 0 -125.9 134.1 177.6 -173.3 7.2 169.6 0 0.0 0 0.0 0 0.0 0 0.0 9 33
15 A 16 ARG R E E AA - 7 0 -123.3 138.6 178.3 -147.8 13.5 167.2 7 -2.1 7 -3.1 0 0.0 17 -0.5 7 41
16 A 17 PHE F E E AA - 6 0 -108.5 127.9 179.8 -179.9 21.7 158.4 0 0.0 0 0.0 0 0.0 0 0.0 8 39
17 A 18 ILE I E E AA - 5 0 -124.3 164.6 178.8 -118.2 27.3 145.1 5 -3.0 5 -3.0 15 -0.5 0 0.0 11 44
18 A 19 CYS C E E AA - 4 0 -100.3 136.2 178.1 -168.6 25.9 148.0 0 0.0 0 0.0 0 0.0 0 0.0 9 36
19 A 20 ILE I E E AA - 3 0 -129.1 121.4 179.9 -136.0 15.9 169.1 3 -2.6 3 -2.9 0 0.0 0 0.0 13 42
20 A 21 ALA A t > T - 0 0 -71.8 150.5 178.5 -92.6 37.7 114.1 0 0.0 23 -2.4 0 0.0 0 0.0 9 32
21 A 22 GLN Q T T 3 TS+ 0 0 -63.4 122.1 -179.9 24.4 118.9 120.0 0 0.0 0 0.0 0 0.0 0 0.0 10 30
22 A 23 GLY G T T 3 TS+ 0 0 105.3 -13.1 -179.8 119.6 96.7 77.1 86 -0.5 0 0.0 0 0.0 0 0.0 7 31
23 A 24 GLU E t < T - 0 0 -87.9 140.5 179.2 -123.1 62.4 130.6 20 -2.4 0 0.0 0 0.0 0 0.0 10 37
24 A 25 THR T h > T - 0 0 -79.2 158.7 179.8 -115.2 21.4 114.1 0 0.0 28 -2.4 0 0.0 0 0.0 13 56
25 A 26 LEU L H H > TS+ 0 0 -57.6 -46.8 -179.1 46.8 117.2 20.4 84 -2.6 29 -2.5 0 0.0 0 0.0 13 67
26 A 27 SER S H H > TS+ 0 0 -65.5 -39.9 179.6 51.3 110.6 27.2 81 -2.2 30 -2.7 0 0.0 0 0.0 14 59
27 A 28 ASP D H H > TS+ 0 0 -63.8 -43.5 -179.6 45.0 113.5 21.9 0 0.0 31 -2.3 0 0.0 0 0.0 9 42
28 A 29 ALA A H H X TS+ 0 0 -65.9 -44.2 179.8 49.9 113.7 23.2 24 -2.4 32 -1.7 0 0.0 0 0.0 13 47
29 A 30 ALA A H H < >TS+ 0 0 -59.7 -52.5 -179.8 43.2 114.3 16.8 25 -2.5 34 -2.9 0 0.0 0 0.0 12 59
30 A 31 TYR Y H H < >5TS+ 0 0 -62.3 -37.9 179.5 58.5 108.8 28.5 26 -2.7 33 -2.1 0 0.0 0 0.0 10 38
31 A 32 ARG R H H < 35TS+ 0 0 -58.1 -36.8 -179.7 44.3 110.4 29.1 27 -2.3 0 0.0 0 0.0 0 0.0 7 29
32 A 33 GLN Q T h < 35TS- 0 0 -95.6 20.1 178.1 -106.4 124.0 81.9 28 -1.7 0 0.0 0 0.0 0 0.0 7 30
33 A 34 GLN Q T T <5TS+ 0 0 61.9 30.9 176.7 129.4 79.7 40.7 30 -2.1 35 -0.7 0 0.0 0 0.0 7 27
34 A 35 ILE I t T + 0 0 75.9 4.8 -178.6 124.4 62.8 59.1 0 0.0 49 -1.3 0 0.0 0 0.0 11 59
47 A 48 THR T T T 3 T + 0 0 -68.9 -24.7 -178.8 55.9 68.7 39.2 0 0.0 0 0.0 0 0.0 0 0.0 12 64
48 A 49 CYS C T e 3 TS+ 0 0 -91.3 10.9 -178.2 146.9 75.4 74.3 0 0.0 81 -1.6 0 0.0 0 0.0 13 66
49 A 50 ARG R E E AC < T + 80 0 -52.8 134.1 178.8 162.9 17.2 100.8 46 -1.3 95 -0.5 0 0.0 0 0.0 14 64
50 A 51 ALA A E E ACD - 79 94 -142.4 173.5 179.9 -115.9 34.2 149.7 79 -3.0 79 -3.2 0 0.0 0 0.0 12 66
51 A 52 PHE F E E ACD - 78 93 -121.5 130.8 178.9 -140.9 15.0 166.4 93 -2.2 93 -3.1 0 0.0 53 -0.8 10 54
52 A 53 CYS C E E A D - 0 92 -91.9 109.4 -179.7 -177.4 16.3 143.8 77 -2.8 0 0.0 0 0.0 0 0.0 12 44
53 A 54 GLU E E E A * S- 0 0 -72.0 -35.6 -180.0 -17.8 70.1 33.1 91 -2.0 0 0.0 51 -0.8 0 0.0 9 36
54 A 55 SER S E E A D S+ 0 91 -167.3 156.8 179.7 71.0 90.7 167.2 91 -1.5 91 -2.7 0 0.0 0 0.0 7 33
55 A 56 GLY G - 0 0 115.8 162.4 179.5 -78.2 68.0 110.6 0 0.0 0 0.0 0 0.0 0 0.0 11 39
56 A 57 ASN N e + 0 0 -98.4 150.0 179.5 162.5 49.7 136.6 0 0.0 87 -2.5 0 0.0 88 -0.8 9 39
57 A 58 TYR Y E E BE - 86 0 -163.7 154.6 177.8 -127.4 34.4 172.4 0 0.0 0 0.0 0 0.0 0 0.0 9 46
58 A 59 ASP D E E BE + 85 0 -106.9 136.2 -178.3 157.4 32.1 155.2 85 -2.6 85 -2.9 0 0.0 0 0.0 8 38
59 A 60 MET M - 0 0 -159.1 73.0 -179.7 -147.0 31.2 118.5 0 0.0 0 0.0 0 0.0 0 0.0 9 49
60 A 61 PRO P g > T - 0 0 -48.7 125.3 179.8 -138.0 11.3 99.9 0 0.0 63 -2.1 0 0.0 0 0.0 7 35
61 A 62 GLU E G G > TS+ 0 0 -60.0 -19.8 179.8 65.7 102.7 42.2 0 0.0 64 -1.0 0 0.0 0 0.0 6 32
62 A 63 ASP D G G 3 TS+ 0 0 -75.6 -16.7 -178.8 65.3 89.9 47.3 0 0.0 0 0.0 0 0.0 0 0.0 5 23
63 A 64 ASN N G G < TS+ 0 0 -90.8 12.1 178.6 32.9 107.7 74.4 60 -2.1 0 0.0 0 0.0 0 0.0 9 31
64 A 65 TYR Y S g < TS- 0 0 -159.0 161.3 -179.8 -127.7 71.7 169.5 61 -1.0 0 0.0 0 0.0 0 0.0 12 40
65 A 66 ILE I t > > T - 0 0 -111.9 166.6 -178.8 -106.0 31.9 134.2 43 -2.4 69 -2.0 0 0.0 68 -1.3 11 38
66 A 67 GLU E T T 4 3 TS+ 0 0 -63.9 -24.6 178.1 70.3 112.9 40.4 0 0.0 0 0.0 0 0.0 0 0.0 8 42
67 A 68 ASP D T T 4 3 TS+ 0 0 -58.8 -32.6 -178.0 34.6 111.3 30.0 0 0.0 0 0.0 0 0.0 0 0.0 11 45
68 A 69 ALA A T T 4 < TS- 0 0 -88.9 -43.8 -179.8 -3.2 138.1 28.9 65 -1.3 0 0.0 0 0.0 0 0.0 13 52
69 A 70 LEU L t < T - 0 0 -154.8 130.4 -179.9 -140.9 65.6 161.4 65 -2.0 0 0.0 0 0.0 0 0.0 15 51
70 A 71 THR T h > T - 0 0 -90.1 158.6 179.8 -114.8 27.7 122.0 0 0.0 74 -2.2 0 0.0 0 0.0 9 43
71 A 72 PRO P H H > TS+ 0 0 -59.1 -35.0 -180.0 56.5 117.7 31.0 0 0.0 75 -2.3 0 0.0 0 0.0 7 29
72 A 73 GLU E H H > TS+ 0 0 -63.7 -40.4 179.1 47.2 108.2 26.6 0 0.0 76 -1.3 0 0.0 0 0.0 6 28
73 A 74 GLU E H H > >TS+ 0 0 -66.7 -43.9 -179.8 52.1 110.2 24.8 0 0.0 78 -2.2 0 0.0 77 -0.7 10 39
74 A 75 ALA A H H < >5TS+ 0 0 -59.7 -42.2 -179.9 52.9 107.3 25.6 70 -2.2 77 -1.1 0 0.0 0 0.0 10 40
75 A 76 GLN Q H H < 35TS+ 0 0 -62.8 -33.5 179.9 54.7 105.8 33.0 71 -2.3 0 0.0 0 0.0 0 0.0 7 26
76 A 77 GLN Q H H < 35TS- 0 0 -76.1 -13.6 179.8 -96.6 127.3 53.1 72 -1.3 0 0.0 0 0.0 0 0.0 6 25
77 A 78 GLY G T h < <5TS+ 0 0 113.3 -1.7 178.2 138.9 76.7 63.1 74 -1.1 52 -2.8 73 -0.7 0 0.0 9 36
78 A 79 TYR Y E E AC AC > T - 49 0 -103.6 116.9 -178.7 -148.8 23.6 161.4 0 0.0 83 -1.7 0 0.0 84 -1.4 13 62
81 A 82 ALA A T e 4 3 TS+ 0 0 -58.3 -30.8 -179.7 58.8 95.8 33.6 48 -1.6 26 -2.2 79 -0.6 0 0.0 12 71
82 A 83 CYS C T T 4 3 TS+ 0 0 -73.0 -16.0 -179.6 30.6 117.8 46.5 0 0.0 0 0.0 0 0.0 0 0.0 13 54
83 A 84 GLN Q T T 4 < TS+ 0 0 -119.0 -3.2 -177.9 104.3 95.0 63.6 80 -1.7 85 -0.6 0 0.0 0 0.0 16 55
84 A 85 CYS C t < T - 0 0 -89.2 120.8 179.7 -173.2 44.9 136.6 80 -1.4 25 -2.6 0 0.0 0 0.0 13 64
85 A 86 ARG R E E BE - 58 0 -115.1 99.9 -180.0 -141.8 18.2 152.0 58 -2.9 58 -2.6 83 -0.6 0 0.0 12 54
86 A 87 PRO P E E BE - 57 0 -60.1 138.3 179.6 -173.0 15.7 107.3 0 0.0 22 -0.5 0 0.0 0 0.0 17 48
87 A 88 THR T S e S+ 0 0 -116.7 11.9 179.1 17.4 70.8 77.8 56 -2.5 0 0.0 0 0.0 0 0.0 11 35
88 A 89 SER S S S S- 0 0 -163.5 177.0 176.9 -57.9 106.3 158.9 56 -0.8 0 0.0 0 0.0 0 0.0 9 34
89 A 90 ASP D S S S+ 0 0 -62.7 148.5 -177.7 174.0 70.2 114.5 0 0.0 0 0.0 0 0.0 0 0.0 10 36
90 A 91 ALA A E E Ab - 5 0 -154.3 172.0 179.8 -131.3 33.9 162.9 4 -1.4 6 -2.7 0 0.0 0 0.0 14 45
91 A 92 VAL V E E AbD - 6 54 -134.0 125.2 179.3 -174.3 22.8 174.3 54 -2.7 53 -2.0 0 0.0 54 -1.5 12 45
92 A 93 PHE F E E AbD - 7 52 -124.0 140.5 177.1 -142.2 20.4 165.0 6 -2.8 8 -3.3 0 0.0 94 -0.7 13 58
93 A 94 GLN Q E E AbD - 8 51 -99.6 116.9 -178.9 -150.1 24.6 152.5 51 -3.1 51 -2.2 0 0.0 0 0.0 12 49
94 A 95 ILE I E E A D - 0 50 -90.7 139.4 -178.7 -127.2 16.0 135.2 8 -2.8 96 -1.7 92 -0.7 0 0.0 14 57
95 A 96 GLN Q S e S+ 0 0 -83.7 55.5 179.8 55.7 84.9 108.6 49 -0.5 0 0.0 0 0.0 0 0.0 11 60
96 A 97 ALA A S S S- 0 0 -172.8 161.4 178.1 -95.8 86.6 162.8 94 -1.7 10 -1.8 0 0.0 0 0.0 13 52
97 A 98 SER S t > T - 0 0 -81.7 162.1 179.8 -111.1 39.9 115.1 0 0.0 101 -1.3 0 0.0 0 0.0 11 39
98 A 99 SER S T T 4 TS+ 0 0 -63.4 -31.1 179.6 59.5 118.7 32.1 0 0.0 0 0.0 0 0.0 0 0.0 11 35
99 A 100 GLU E T g 4 > TS+ 0 0 -62.6 -45.6 179.7 52.8 100.1 24.7 0 0.0 102 -1.8 0 0.0 0 0.0 7 31
100 A 101 VAL V G G 4 > TS+ 0 0 -59.2 -35.9 -178.9 60.1 102.9 29.4 0 0.0 103 -1.6 0 0.0 0 0.0 9 46
101 A 102 CYS C G G < 3 TS+ 0 0 -74.7 2.0 179.2 66.8 92.6 64.0 97 -1.3 35 -2.7 0 0.0 0 0.0 12 51
102 A 103 LYS K G G < TS+ 0 0 -99.2 -0.8 -179.4 88.6 89.2 65.6 99 -1.8 0 0.0 0 0.0 0 0.0 9 37
103 A 104 THR T g < T - 0 0 -96.9 165.8 -179.1 -147.6 63.0 120.3 100 -1.6 0 0.0 0 0.0 0 0.0 7 34
104 A 105 LYS K - 0 0 -132.2 150.8 178.2 -118.1 16.3 161.3 0 0.0 0 0.0 0 0.0 0 0.0 6 40
105 A 106 ILE I - 0 0 -83.7 160.1 179.4 -178.0 34.2 119.8 0 0.0 0 0.0 0 0.0 0 0.0 8 40
106 A 107 HIS H E E CF - 198 0 -148.7 171.8 179.3 -103.3 28.1 156.5 198 -2.2 198 -2.2 0 0.0 0 0.0 8 32
107 A 108 HIS H E E CF - 197 0 -103.8 140.5 -179.0 -162.3 32.8 146.8 0 0.0 0 0.0 0 0.0 0 0.0 8 39
108 A 109 PHE F E E CF - 196 0 -127.6 142.3 -179.3 -147.4 6.3 164.4 196 -3.1 196 -1.9 0 0.0 0 0.0 11 42
109 A 110 GLU E E E CF + 195 0 -108.8 140.8 179.2 138.5 31.6 148.9 0 0.0 130 -2.6 0 0.0 0 0.0 11 38
110 A 111 GLY G E E CFG - 194 129 -159.5 -172.6 178.5 -108.4 40.7 153.5 194 -2.9 194 -2.7 0 0.0 0 0.0 11 44
111 A 112 THR T E E CFG - 193 128 -133.5 146.6 179.0 -103.4 36.0 168.7 128 -2.2 128 -3.0 0 0.0 113 -0.7 14 36
112 A 113 LEU L E E C G + 0 127 -68.2 110.7 -178.6 178.6 38.6 124.4 192 -3.1 191 -3.4 0 0.0 0 0.0 15 42
113 A 114 ALA A E E C * - 0 0 -87.0 -27.4 -179.4 -2.4 65.3 40.4 126 -2.2 0 0.0 111 -0.7 0 0.0 11 32
114 A 115 ARG R E E C G - 0 126 -163.0 146.4 178.2 -177.5 56.5 165.4 126 -1.1 126 -2.4 0 0.0 0 0.0 9 35
115 A 116 VAL V E E C G + 0 125 -150.3 131.1 -178.0 176.7 12.8 164.5 0 0.0 0 0.0 0 0.0 0 0.0 14 42
116 A 117 GLU E E E C G - 0 124 -143.6 141.4 176.5 -138.2 32.9 176.6 124 -2.7 124 -2.4 0 0.0 118 -1.1 8 38
117 A 118 ASN N E E C G - 0 123 -93.8 94.9 179.8 -177.9 22.2 145.3 0 0.0 0 0.0 0 0.0 0 0.0 10 37
118 A 119 LEU L S e S- 0 0 -60.5 -36.6 178.6 -18.5 74.8 27.9 122 -1.4 0 0.0 116 -1.1 0 0.0 9 34
119 A 120 SER S S S S- 0 0 -153.5 -179.9 179.0 -84.8 83.8 150.4 122 -1.6 0 0.0 0 0.0 0 0.0 8 33
120 A 121 ASP D S S S+ 0 0 -69.3 -14.8 -178.3 38.9 130.5 46.5 0 0.0 0 0.0 0 0.0 0 0.0 8 32
121 A 122 SER S S e S+ 0 0 -107.9 -18.8 -176.5 61.3 109.8 50.1 0 0.0 174 -2.9 0 0.0 0 0.0 11 38
122 A 123 THR T E E C H - 0 173 -123.9 130.0 -179.2 -177.0 53.6 162.3 0 0.0 119 -1.6 0 0.0 118 -1.4 15 46
123 A 124 ILE I E E CGH - 117 172 -119.1 137.9 176.2 -169.8 3.8 159.1 172 -3.3 172 -3.6 0 0.0 0 0.0 16 50
124 A 125 THR T E E CGH + 116 171 -127.8 139.9 179.2 167.6 13.5 171.1 116 -2.4 116 -2.7 0 0.0 0 0.0 12 56
125 A 126 PHE F E E CGH - 115 170 -151.5 155.3 179.7 -141.8 23.5 174.8 170 -1.6 170 -1.9 0 0.0 0 0.0 12 57
126 A 127 ASP D E E CGH - 114 169 -119.6 140.4 176.3 -157.7 4.7 160.7 114 -2.4 113 -2.2 0 0.0 114 -1.1 12 52
127 A 128 ILE I E E CGH - 112 168 -115.6 117.8 178.8 -152.2 12.7 167.6 168 -2.0 168 -2.3 0 0.0 129 -0.6 13 56
128 A 129 GLN Q E E CGH - 111 167 -90.6 123.5 179.5 -121.5 22.5 144.2 111 -3.0 111 -2.2 0 0.0 0 0.0 11 42
129 A 130 LEU L E E CG - 110 0 -64.0 138.5 -179.5 -107.2 34.9 115.3 166 -2.3 0 0.0 127 -0.6 0 0.0 12 43
130 A 131 ASP D e > T - 0 0 -67.1 151.2 177.3 -88.9 39.6 106.5 109 -2.6 133 -2.3 0 0.0 0 0.0 8 28
131 A 132 ASP D T T 3 TS+ 0 0 -56.6 135.8 179.4 24.4 117.6 110.2 0 0.0 0 0.0 0 0.0 0 0.0 4 23
132 A 133 GLY G T T 3 TS+ 0 0 91.0 -14.9 179.8 127.9 90.4 75.8 0 0.0 0 0.0 0 0.0 0 0.0 4 16
133 A 134 GLN Q t < T - 0 0 -77.8 134.2 179.8 -118.0 62.2 125.9 130 -2.3 0 0.0 0 0.0 0 0.0 8 27
134 A 135 PRO P - 0 0 -67.9 157.7 178.4 -95.2 36.1 106.9 0 0.0 0 0.0 0 0.0 0 0.0 5 29
135 A 136 ASP D - 0 0 -68.4 151.6 175.1 -126.4 31.4 110.0 0 0.0 137 -0.6 0 0.0 0 0.0 6 35
136 A 137 ILE I - 0 0 -100.3 124.4 -179.9 -145.2 20.4 156.8 0 0.0 138 -0.8 0 0.0 0 0.0 10 46
137 A 138 HIS H + 0 0 -92.5 111.0 178.9 155.8 35.4 145.4 135 -0.6 0 0.0 0 0.0 0 0.0 7 42
138 A 139 PHE F - 0 0 -134.7 162.7 178.4 -121.3 41.6 156.8 136 -0.8 0 0.0 0 0.0 0 0.0 7 54
139 A 140 LEU L t > T - 0 0 -102.2 135.4 -179.9 -92.2 48.1 151.0 0 0.0 142 -2.6 0 0.0 0 0.0 8 52
140 A 141 ALA A T T 3 TS+ 0 0 -48.5 119.1 -179.2 34.9 116.0 102.5 0 0.0 205 -1.7 0 0.0 0 0.0 14 56
141 A 142 GLY G T T 3 TS+ 0 0 120.2 -20.4 -179.6 118.0 89.8 84.2 0 0.0 0 0.0 0 0.0 0 0.0 16 64
142 A 143 GLN Q e < T - 0 0 -76.3 166.9 -178.7 -142.4 49.4 104.7 139 -2.6 159 -1.7 0 0.0 0 0.0 15 70
143 A 144 TYR Y E E CIJ - 200 158 -126.0 168.5 176.9 -144.3 3.1 140.3 200 -2.2 200 -2.9 0 0.0 0 0.0 12 69
144 A 145 VAL V E E C*J - 0 157 -131.3 152.6 178.4 -117.7 24.3 161.4 157 -2.4 157 -2.4 0 0.0 146 -1.0 13 65
145 A 146 ASN N E E CIJ - 197 156 -94.1 104.6 -178.3 -155.3 34.5 146.4 197 -2.9 197 -1.8 0 0.0 0 0.0 11 50
146 A 147 VAL V E E CIJ - 196 155 -82.7 134.3 179.6 -113.0 19.2 128.5 155 -2.7 155 -1.9 144 -1.0 0 0.0 12 57
147 A 148 THR T E E C J - 0 154 -69.1 136.2 177.7 -127.7 22.0 116.7 195 -2.7 0 0.0 0 0.0 0 0.0 12 41
148 A 149 LEU L e > T - 0 0 -84.0 113.2 -179.7 -107.4 40.2 142.1 153 -2.7 151 -2.0 0 0.0 0 0.0 11 40
149 A 150 PRO P T T 3 TS+ 0 0 -44.1 133.3 179.2 16.9 100.1 93.9 0 0.0 0 0.0 0 0.0 0 0.0 7 36
150 A 151 GLY G T T 3 TS+ 0 0 83.2 -2.4 -179.5 68.3 119.3 65.4 0 0.0 0 0.0 0 0.0 0 0.0 4 22
151 A 152 THR T S t < TS- 0 0 -136.8 -178.0 178.4 -118.6 81.8 139.9 148 -2.0 0 0.0 0 0.0 0 0.0 6 18
152 A 153 THR T S S S+ 0 0 -106.0 8.0 179.5 103.7 81.7 74.6 0 0.0 0 0.0 0 0.0 0 0.0 6 20
153 A 154 GLU E e - 0 0 -85.8 164.3 177.9 -153.9 55.1 114.4 0 0.0 148 -2.7 0 0.0 0 0.0 6 27
154 A 155 THR T E E CJ - 147 0 -134.1 168.3 177.4 -148.6 7.9 149.8 0 0.0 0 0.0 0 0.0 0 0.0 10 39
155 A 156 ARG R E E CJ - 146 0 -139.3 130.0 179.2 -121.3 24.9 173.0 146 -1.9 146 -2.7 0 0.0 0 0.0 10 48
156 A 157 SER S E E CJ + 145 0 -73.9 131.9 176.2 174.6 34.1 122.6 0 0.0 0 0.0 0 0.0 0 0.0 9 64
157 A 158 TYR Y E E CJ - 144 0 -141.2 136.8 -178.6 -130.3 26.0 175.5 144 -2.4 144 -2.4 0 0.0 0 0.0 11 70
158 A 159 SER S E E CJ - 143 0 -86.1 130.5 178.1 -113.4 29.4 132.4 0 0.0 0 0.0 0 0.0 0 0.0 12 70
159 A 160 PHE F e - 0 0 -62.3 133.1 175.3 -176.9 27.5 114.8 142 -1.7 0 0.0 0 0.0 0 0.0 17 66
160 A 161 SER S + 0 0 -102.2 -12.0 177.6 79.4 67.5 60.1 169 -2.6 0 0.0 0 0.0 0 0.0 14 60
161 A 162 SER S S S S- 0 0 -87.9 164.0 -178.8 -100.7 91.9 120.1 169 -1.0 0 0.0 0 0.0 0 0.0 12 55
162 A 163 GLN Q t > T - 0 0 -90.8 154.3 179.7 -86.7 41.7 121.5 0 0.0 165 -2.0 0 0.0 0 0.0 12 46
163 A 164 PRO P T T 3 TS+ 0 0 -53.7 138.2 179.3 30.4 114.5 105.4 0 0.0 0 0.0 0 0.0 0 0.0 11 45
164 A 165 GLY G T T 3 TS+ 0 0 99.4 -23.5 180.0 118.8 85.4 85.3 0 0.0 166 -0.8 0 0.0 0 0.0 7 32
165 A 166 ASN N t < T - 0 0 -81.0 113.5 -179.1 -162.0 48.8 132.9 162 -2.0 0 0.0 0 0.0 0 0.0 7 36
166 A 167 ARG R S e S+ 0 0 -72.4 -10.4 174.5 75.4 81.9 52.5 164 -0.8 129 -2.3 0 0.0 168 -1.2 7 39
167 A 168 LEU L E E CH S- 128 0 -97.1 88.3 -178.1 -160.7 84.3 145.1 0 0.0 0 0.0 0 0.0 0 0.0 10 43
168 A 169 THR T E E CH - 127 0 -74.4 149.0 -178.6 -153.1 3.8 115.2 127 -2.3 127 -2.0 166 -1.2 0 0.0 13 60
169 A 170 GLY G E E CH - 126 0 -128.5 153.8 -179.1 -175.1 13.1 156.8 0 0.0 160 -2.6 0 0.0 161 -1.0 11 62
170 A 171 PHE F E E CH - 125 0 -143.6 154.5 178.2 -150.2 16.8 165.8 125 -1.9 125 -1.6 0 0.0 0 0.0 13 66
171 A 172 VAL V E E CH - 124 0 -128.2 117.1 -175.7 -174.7 27.3 170.6 0 0.0 0 0.0 0 0.0 0 0.0 14 65
172 A 173 VAL V E E CH - 123 0 -124.7 140.5 177.4 -128.0 26.2 157.9 123 -3.6 123 -3.3 0 0.0 0 0.0 10 67
173 A 174 ARG R E E CH - 122 0 -80.8 130.4 178.8 -127.0 28.8 131.7 0 0.0 175 -1.2 0 0.0 0 0.0 10 60
174 A 175 ASN N e - 0 0 -79.7 98.5 -178.6 -158.3 30.1 133.1 121 -2.9 0 0.0 0 0.0 0 0.0 12 45
175 A 176 VAL V t > T - 0 0 -84.5 122.3 179.9 -112.5 21.7 133.8 173 -1.2 178 -2.8 0 0.0 0 0.0 8 36
176 A 177 PRO P T T 3 TS+ 0 0 -55.1 129.8 179.5 3.1 101.8 107.2 0 0.0 0 0.0 0 0.0 0 0.0 6 21
177 A 178 GLN Q T T 3 TS+ 0 0 70.8 7.7 179.1 147.1 97.1 56.3 0 0.0 0 0.0 0 0.0 0 0.0 6 17
178 A 179 GLY G h > < T - 0 0 -76.3 142.7 -179.0 -140.7 47.5 122.7 175 -2.8 182 -1.9 0 0.0 0 0.0 8 29
179 A 180 LYS K H H > TS+ 0 0 -68.4 -55.0 178.5 35.8 102.0 15.7 0 0.0 183 -2.2 0 0.0 0 0.0 7 31
180 A 181 MET M H H > TS+ 0 0 -65.5 -37.0 179.2 56.2 117.1 27.2 0 0.0 184 -3.0 0 0.0 0 0.0 9 47
181 A 182 SER S H H > TS+ 0 0 -60.1 -40.6 179.3 48.2 107.7 27.6 0 0.0 185 -2.4 0 0.0 0 0.0 13 43
182 A 183 GLU E H H X >TS+ 0 0 -65.6 -47.2 -179.9 48.3 112.6 21.2 178 -1.9 186 -2.3 0 0.0 187 -1.3 13 33
183 A 184 TYR Y H H < >TS+ 0 0 -58.0 -55.0 -178.2 41.5 116.8 14.2 179 -2.2 188 -4.2 0 0.0 0 0.0 10 42
184 A 185 LEU L H H < 5TS+ 0 0 -62.0 -42.9 -177.5 41.2 120.1 28.3 180 -3.0 0 0.0 0 0.0 0 0.0 10 52
185 A 186 SER S H H < 5TS+ 0 0 -80.1 -28.6 -177.9 9.2 134.3 37.3 181 -2.4 0 0.0 0 0.0 0 0.0 12 37
186 A 187 VAL V T h < 5TS+ 0 0 -118.3 -47.5 -176.8 32.3 131.4 38.8 182 -2.3 0 0.0 0 0.0 0 0.0 6 34
187 A 188 GLN Q T T T - 0 0 -138.3 145.4 179.4 -90.9 39.3 170.7 0 0.0 192 -2.2 0 0.0 0 0.0 8 29
190 A 191 ALA A T T 3 TS+ 0 0 -53.5 136.7 -179.3 38.1 113.7 105.9 0 0.0 0 0.0 0 0.0 0 0.0 9 32
191 A 192 GLY G T T 3 TS+ 0 0 106.0 -22.5 179.6 136.4 80.2 84.5 112 -3.4 0 0.0 0 0.0 0 0.0 7 27
192 A 193 ASP D e < T - 0 0 -58.8 142.8 179.0 -108.7 62.1 106.7 189 -2.2 112 -3.1 0 0.0 0 0.0 8 33
193 A 194 LYS K E E CF + 111 0 -76.8 134.2 -180.0 177.4 43.9 126.0 0 0.0 0 0.0 0 0.0 0 0.0 8 37
194 A 195 MET M E E CF - 110 0 -133.0 158.9 177.8 -178.1 7.5 155.5 110 -2.7 110 -2.9 0 0.0 0 0.0 12 50
195 A 196 SER S E E CF - 109 0 -155.6 155.6 178.5 -174.7 1.6 171.4 0 0.0 147 -2.7 0 0.0 0 0.0 11 54
196 A 197 PHE F E E CFI - 108 146 -151.7 160.6 -178.9 -138.3 15.5 170.1 108 -1.9 108 -3.1 0 0.0 0 0.0 12 54
197 A 198 THR T E E CFI - 107 145 -121.4 142.9 179.6 -3.3 49.9 158.9 145 -1.8 145 -2.9 0 0.0 0 0.0 11 43
198 A 199 GLY G E E CF* - 106 0 158.1 -159.0 0.1 -111.5 49.0 172.7 106 -2.2 106 -2.2 0 0.0 0 0.0 11 51
199 A 200 PRO P E E C * + 0 0 -81.0 162.2 178.9 170.6 55.6 57.4 0 0.0 0 0.0 0 0.0 0 0.0 12 59
200 A 201 PHE F E E C I + 0 143 -129.5 162.5 175.9 68.5 21.2 150.9 143 -2.9 143 -2.2 0 0.0 0 0.0 12 56
201 A 202 GLY G - 0 0 105.9 141.4 178.8 -132.5 53.1 78.6 0 0.0 0 0.0 0 0.0 0 0.0 12 67
202 A 203 SER S S S S+ 0 0 -102.5 4.6 179.9 101.9 81.2 71.9 0 0.0 204 -0.8 0 0.0 0 0.0 9 67
203 A 204 PHE F + 0 0 -95.7 109.4 179.3 110.6 51.6 144.2 0 0.0 0 0.0 0 0.0 0 0.0 9 66
204 A 205 TYR Y S S S- 0 0 -169.0 167.4 -178.4 -60.0 71.0 169.0 202 -0.8 0 0.0 0 0.0 0 0.0 11 60
205 A 206 LEU L - 0 0 -60.4 119.5 176.6 -166.1 46.6 111.8 140 -1.7 0 0.0 0 0.0 0 0.0 9 64
206 A 207 ARG R - 0 0 -99.6 165.1 179.7 -64.8 46.5 129.9 0 0.0 0 0.0 0 0.0 0 0.0 4 53
207 A 208 ASP D - 0 0 -50.9 134.1 179.7 -123.8 51.0 102.3 0 0.0 209 -1.4 0 0.0 0 0.0 4 42
208 A 209 VAL V + 0 0 -85.6 90.3 -179.7 144.4 55.6 132.2 0 0.0 0 0.0 0 0.0 0 0.0 10 38
209 A 210 LYS K S S S+ 0 0 -108.8 7.2 179.1 16.2 70.1 74.4 207 -1.4 0 0.0 0 0.0 0 0.0 6 29
210 A 211 ARG R S S S- 0 0 -164.3 170.5 -179.9 -53.6 106.7 161.6 0 0.0 0 0.0 0 0.0 0 0.0 10 34
211 A 212 PRO P e - 0 0 -55.5 150.3 -179.7 -144.5 54.3 100.4 0 0.0 302 -2.4 0 0.0 0 0.0 14 45
212 A 213 VAL V E E Dkl - 302 240 -121.8 142.5 176.8 -164.4 12.8 158.7 239 -2.4 241 -2.5 0 0.0 0 0.0 13 55
213 A 214 LEU L E E Dkl - 303 241 -126.4 117.9 178.3 -166.0 7.8 171.2 302 -2.7 304 -2.9 0 0.0 0 0.0 14 66
214 A 215 MET M E E Dkl - 304 242 -105.4 130.2 -179.3 -168.2 1.9 156.0 241 -3.2 243 -2.7 0 0.0 216 -0.5 12 74
215 A 216 LEU L E E Dkl - 305 243 -122.8 114.2 -178.5 -178.3 9.4 165.5 304 -3.1 306 -2.4 0 0.0 0 0.0 13 72
216 A 217 ALA A E E Dkl - 306 244 -118.8 138.6 178.0 -166.8 11.9 157.5 243 -2.7 245 -3.2 214 -0.5 0 0.0 16 73
217 A 218 GLY G E E D l> T - 0 245 -124.2 124.1 179.1 -46.5 59.1 169.8 306 -2.2 220 -2.3 0 0.0 0 0.0 15 65
218 A 219 GLY G G e > TS- 0 0 59.1 -129.8 -180.0 -3.5 130.5 107.7 245 -2.8 221 -1.3 0 0.0 0 0.0 14 65
219 A 220 THR T G T > TS+ 0 0 -75.9 4.0 177.7 96.2 111.1 62.3 0 0.0 222 -2.0 0 0.0 0 0.0 12 70
220 A 221 GLY G G h > < T + 0 0 -65.7 -9.0 178.9 79.3 65.8 52.4 217 -2.3 224 -0.6 0 0.0 0 0.0 12 69
221 A 222 ILE I H H > < TS+ 0 0 -66.9 -27.2 -177.8 84.4 72.3 36.0 218 -1.3 225 -1.5 0 0.0 0 0.0 12 71
222 A 223 ALA A H H > X TS+ 0 0 -43.5 -61.2 -179.8 43.1 88.5 29.2 219 -2.0 226 -1.3 0 0.0 225 -0.8 13 66
223 A 224 PRO P H H > 3 TS+ 0 0 -59.9 -32.6 179.5 57.4 111.3 30.6 0 0.0 227 -2.7 0 0.0 0 0.0 15 66
224 A 225 PHE F H H X 3 TS+ 0 0 -66.6 -30.3 178.6 57.8 99.2 33.9 220 -0.6 228 -2.9 0 0.0 0 0.0 13 73
225 A 226 LEU L H H X < TS+ 0 0 -65.0 -38.2 178.5 46.2 109.6 24.9 221 -1.5 229 -1.5 222 -0.8 0 0.0 10 65
226 A 227 SER S H H X TS+ 0 0 -66.0 -51.3 -179.7 47.8 113.8 16.7 222 -1.3 230 -1.9 0 0.0 0 0.0 15 56
227 A 228 MET M H H X TS+ 0 0 -57.2 -42.2 -178.6 50.5 111.1 27.9 223 -2.7 231 -2.6 0 0.0 0 0.0 13 64
228 A 229 LEU L H H X TS+ 0 0 -69.6 -29.6 178.9 55.2 105.9 35.5 224 -2.9 232 -2.1 0 0.0 0 0.0 8 63
229 A 230 GLN Q H H X TS+ 0 0 -68.2 -41.1 179.2 45.1 111.7 21.5 225 -1.5 233 -1.1 0 0.0 0 0.0 10 50
230 A 231 VAL V H H X > TS+ 0 0 -65.4 -48.0 -179.7 45.6 115.5 19.9 226 -1.9 234 -2.1 0 0.0 233 -0.5 11 38
231 A 232 LEU L H H X 3 TS+ 0 0 -66.3 -30.4 179.4 63.2 104.6 34.6 227 -2.6 235 -3.0 0 0.0 0 0.0 9 49
232 A 233 GLU E H H < 3 TS+ 0 0 -61.5 -35.5 -178.9 36.4 112.2 29.7 228 -2.1 0 0.0 0 0.0 0 0.0 10 41
233 A 234 GLN Q H H < < TS+ 0 0 -87.0 -32.7 -180.0 46.2 120.5 35.0 229 -1.1 0 0.0 230 -0.5 0 0.0 6 30
234 A 235 LYS K H H < TS- 0 0 -78.3 -33.4 -178.9 -141.9 101.9 35.0 230 -2.1 0 0.0 0 0.0 0 0.0 6 29
235 A 236 GLY G h < T - 0 0 91.9 170.7 179.8 -108.6 8.8 101.2 231 -3.0 0 0.0 0 0.0 0 0.0 6 30
236 A 237 SER S - 0 0 -146.1 141.0 179.2 -161.8 14.4 176.1 0 0.0 0 0.0 0 0.0 0 0.0 9 33
237 A 238 GLU E S S S+ 0 0 -93.1 -5.0 -178.0 47.1 85.8 63.4 0 0.0 0 0.0 0 0.0 0 0.0 8 23
238 A 239 HIS H S S S- 0 0 -137.5 157.6 179.7 -89.4 95.0 159.7 0 0.0 0 0.0 0 0.0 0 0.0 10 35
239 A 240 PRO P e - 0 0 -66.8 145.7 178.8 -161.7 33.6 110.9 0 0.0 212 -2.4 0 0.0 0 0.0 10 41
240 A 241 VAL V E E Dlm - 212 268 -129.4 120.8 -178.5 -173.3 10.2 175.6 267 -3.0 269 -1.6 0 0.0 0 0.0 11 56
241 A 242 ARG R E E Dlm - 213 269 -125.0 136.2 -178.8 -161.3 6.3 166.6 212 -2.5 214 -3.2 0 0.0 0 0.0 11 56
242 A 243 LEU L E E Dlm - 214 270 -117.6 134.7 175.3 -164.6 9.0 157.2 269 -2.2 271 -2.3 0 0.0 244 -0.6 11 68
243 A 244 VAL V E E Dlm - 215 271 -117.3 112.4 -177.6 -167.1 14.3 167.8 214 -2.7 216 -2.7 0 0.0 245 -0.7 15 63
244 A 245 PHE F E E Dlm - 216 272 -105.5 105.1 -179.3 -171.8 6.9 153.3 271 -3.1 273 -2.5 242 -0.6 0 0.0 14 65
245 A 246 GLY G E E Dlm + 217 273 -104.9 134.3 177.6 171.2 8.3 146.4 216 -3.2 218 -2.8 243 -0.7 0 0.0 14 56
246 A 247 VAL V E E D m - 0 274 -133.6 162.0 -178.7 -126.2 37.4 157.2 273 -2.8 275 -2.5 0 0.0 0 0.0 14 57
247 A 248 THR T S S S- 0 0 -75.3 -40.3 -178.8 -4.1 87.4 28.6 0 0.0 276 -2.1 0 0.0 0 0.0 10 44
248 A 249 GLN Q S g > TS- 0 0 -151.5 164.7 -177.9 -94.7 76.7 164.9 0 0.0 251 -2.2 0 0.0 0 0.0 11 36
249 A 250 ASP D G G > TS+ 0 0 -53.6 -34.5 -179.6 65.7 114.4 38.7 0 0.0 252 -1.8 0 0.0 0 0.0 11 36
250 A 251 CYS C G G 3 TS+ 0 0 -68.0 -6.5 179.5 60.0 96.6 52.7 0 0.0 0 0.0 0 0.0 0 0.0 8 37
251 A 252 ASP D G G < TS+ 0 0 -95.7 -7.9 -179.9 114.9 76.6 59.6 248 -2.2 0 0.0 0 0.0 0 0.0 12 46
252 A 253 LEU L g < T + 0 0 -66.1 133.0 -179.9 163.7 40.3 116.5 249 -1.8 0 0.0 0 0.0 0 0.0 9 51
253 A 254 VAL V + 0 0 -150.8 150.9 178.1 20.2 49.0 171.6 0 0.0 0 0.0 0 0.0 0 0.0 6 53
254 A 255 ALA A h > T + 0 0 66.4 19.3 -179.5 137.5 69.5 49.7 0 0.0 258 -2.5 0 0.0 0 0.0 6 52
255 A 256 LEU L H H > TS+ 0 0 -64.4 -35.3 179.7 51.7 71.0 31.1 0 0.0 259 -2.8 0 0.0 0 0.0 7 44
256 A 257 GLU E H H > TS+ 0 0 -65.5 -43.0 -179.9 48.0 111.8 21.8 0 0.0 260 -2.2 0 0.0 0 0.0 6 23
257 A 258 GLN Q H H > TS+ 0 0 -63.3 -44.2 179.8 43.8 115.5 26.3 0 0.0 261 -1.5 0 0.0 0 0.0 7 37
258 A 259 LEU L H H X TS+ 0 0 -71.4 -37.8 178.6 53.2 111.6 29.5 254 -2.5 262 -2.2 0 0.0 0 0.0 9 44
259 A 260 ASP D H H X TS+ 0 0 -63.1 -40.3 179.8 52.5 107.6 25.5 255 -2.8 263 -2.1 0 0.0 0 0.0 8 32
260 A 261 ALA A H H X TS+ 0 0 -62.5 -39.2 179.9 50.6 108.5 27.5 256 -2.2 264 -2.0 0 0.0 0 0.0 8 25
261 A 262 LEU L H H X TS+ 0 0 -65.0 -44.8 -179.2 48.1 110.6 22.0 257 -1.5 265 -3.0 0 0.0 0 0.0 11 34
262 A 263 GLN Q H H < TS+ 0 0 -65.5 -35.9 179.8 48.6 112.4 31.0 258 -2.2 0 0.0 0 0.0 0 0.0 12 35
263 A 264 GLN Q H H < TS+ 0 0 -72.0 -36.3 -179.0 37.4 120.0 28.6 259 -2.1 0 0.0 0 0.0 0 0.0 7 21
264 A 265 LYS K H H < TS+ 0 0 -84.4 -35.0 -177.9 62.4 109.8 34.3 260 -2.0 0 0.0 0 0.0 0 0.0 6 24
265 A 266 LEU L h < > T - 0 0 -103.0 115.7 179.9 -162.3 58.9 147.6 261 -3.0 268 -1.5 0 0.0 0 0.0 8 28
266 A 267 PRO P T T 3 TS+ 0 0 -59.0 -32.8 -178.6 52.5 93.8 34.3 0 0.0 0 0.0 0 0.0 0 0.0 7 27
267 A 268 TRP W T e 3 TS+ 0 0 -84.3 -4.4 -178.9 80.4 97.7 61.3 0 0.0 240 -3.0 0 0.0 0 0.0 10 35
268 A 269 PHE F E E Dm < T + 240 0 -112.1 140.6 177.9 155.1 45.2 150.9 265 -1.5 0 0.0 0 0.0 0 0.0 10 44
269 A 270 GLU E E E Dm - 241 0 -153.9 148.6 178.9 -173.0 13.0 169.2 240 -1.6 242 -2.2 0 0.0 0 0.0 10 45
270 A 271 TYR Y E E Dm - 242 0 -145.3 157.8 178.8 -155.7 9.9 168.8 0 0.0 0 0.0 0 0.0 0 0.0 10 51
271 A 272 ARG R E E Dm - 243 0 -134.4 137.1 177.3 -146.7 10.4 176.7 242 -2.3 244 -3.1 0 0.0 0 0.0 8 50
272 A 273 THR T E E Dm - 244 0 -101.1 146.5 179.3 -167.1 13.7 143.3 0 0.0 283 -0.6 0 0.0 0 0.0 10 54
273 A 274 VAL V E E Dmn - 245 283 -135.6 126.3 -179.3 -161.1 3.3 173.6 244 -2.5 246 -2.8 0 0.0 275 -0.5 15 49
274 A 275 VAL V E E Dmn> T - 246 284 -113.7 124.1 -178.4 -156.0 9.7 160.3 283 -2.6 285 -1.7 0 0.0 277 -0.7 15 41
275 A 276 ALA A T e 3 TS+ 0 0 -62.2 -42.5 -179.7 20.2 95.1 27.3 246 -2.5 0 0.0 273 -0.5 0 0.0 11 33
276 A 277 HIS H T T 3 TS- 0 0 -131.0 74.4 -178.2 -171.5 87.6 130.9 247 -2.1 0 0.0 0 0.0 0 0.0 9 27
277 A 278 ALA A t < T - 0 0 -71.8 142.3 178.4 -179.2 24.6 113.2 274 -0.7 0 0.0 0 0.0 0 0.0 11 25
278 A 279 GLU E + 0 0 -115.8 -2.6 179.7 84.2 67.2 72.2 0 0.0 0 0.0 0 0.0 0 0.0 6 20
279 A 280 SER S S S S- 0 0 -102.8 153.5 -178.5 -142.2 71.8 136.4 0 0.0 0 0.0 0 0.0 0 0.0 6 20
280 A 281 GLN Q S S S+ 0 0 -94.8 -1.3 -179.0 60.2 90.7 64.4 0 0.0 0 0.0 0 0.0 0 0.0 5 15
281 A 282 HIS H S S S+ 0 0 -123.2 47.0 179.8 82.3 86.4 103.3 0 0.0 0 0.0 0 0.0 0 0.0 4 18
282 A 283 GLU E S S S- 0 0 -151.9 139.8 179.5 -100.9 80.3 172.6 0 0.0 0 0.0 0 0.0 0 0.0 9 32
283 A 284 ARG R E E Dn - 273 0 -56.0 141.5 -179.8 -140.9 39.6 105.1 272 -0.6 274 -2.6 0 0.0 0 0.0 8 31
284 A 285 LYS K E E Dn + 274 0 -110.0 144.1 178.7 33.4 54.6 149.4 0 0.0 0 0.0 0 0.0 0 0.0 9 30
285 A 286 GLY G S e S- 0 0 126.3 -146.9 -178.5 -37.8 86.9 157.9 274 -1.7 0 0.0 0 0.0 0 0.0 10 35
286 A 287 TYR Y - 0 0 -124.0 165.1 -179.3 -104.6 49.6 142.8 0 0.0 0 0.0 0 0.0 0 0.0 11 44
287 A 288 VAL V S g > TS+ 0 0 -53.2 -49.7 -178.9 56.4 115.8 24.7 0 0.0 290 -2.0 0 0.0 0 0.0 14 54
288 A 289 THR T G G > TS+ 0 0 -54.2 -38.8 -179.2 54.2 104.0 30.3 0 0.0 291 -1.0 0 0.0 0 0.0 7 50
289 A 290 GLY G G G 3 TS+ 0 0 -75.4 -4.3 -178.4 49.9 108.7 56.3 0 0.0 0 0.0 0 0.0 0 0.0 6 39
290 A 291 HIS H G G < TS+ 0 0 -122.9 24.3 177.7 113.7 73.8 84.3 287 -2.0 292 -0.9 0 0.0 0 0.0 9 37
291 A 292 ILE I g < T - 0 0 -97.2 105.7 -179.6 -134.6 65.8 149.3 288 -1.0 0 0.0 0 0.0 0 0.0 8 48
292 A 293 GLU E g > T - 0 0 -62.3 135.5 -179.9 -126.5 11.3 111.4 290 -0.9 295 -1.3 0 0.0 0 0.0 6 37
293 A 294 TYR Y G G > TS+ 0 0 -48.7 -50.7 -178.4 50.9 109.0 25.6 0 0.0 296 -1.8 0 0.0 0 0.0 6 28
294 A 295 ASP D G G > TS+ 0 0 -66.1 -17.1 178.9 73.6 93.9 46.0 0 0.0 297 -1.4 0 0.0 0 0.0 6 30
295 A 296 TRP W G G < TS+ 0 0 -68.7 -15.7 179.2 56.7 92.8 47.3 292 -1.3 0 0.0 0 0.0 0 0.0 9 39
296 A 297 LEU L G G X TS- 0 0 -90.5 -8.5 178.0 -148.2 96.5 58.9 293 -1.8 299 -2.6 0 0.0 0 0.0 12 43
297 A 298 ASN N G G X T - 0 0 42.1 48.5 179.3 -61.1 63.3 32.3 294 -1.4 300 -2.3 0 0.0 0 0.0 9 29
298 A 299 GLY G G G 3 TS- 0 0 56.1 23.3 -179.9 -50.2 103.5 44.4 0 0.0 0 0.0 0 0.0 0 0.0 6 24
299 A 300 GLY G G G < TS+ 0 0 102.7 -20.3 179.3 117.7 112.0 81.4 296 -2.6 301 -2.3 0 0.0 327 -1.1 9 28
300 A 301 GLU E g < T + 0 0 -79.4 69.9 -177.3 98.9 57.6 119.9 297 -2.3 0 0.0 0 0.0 0 0.0 10 29
301 A 302 VAL V S e S- 0 0 -156.1 153.7 176.9 -129.2 70.2 173.2 299 -2.3 327 -1.6 0 0.0 328 -1.3 14 41
302 A 303 ASP D E E Dko - 212 328 -110.4 121.3 -177.5 -157.8 28.4 162.7 211 -2.4 213 -2.7 0 0.0 0 0.0 13 45
303 A 304 VAL V E E Dko - 213 329 -106.6 127.9 179.1 -172.2 9.7 152.9 328 -2.8 330 -2.9 0 0.0 0 0.0 12 60
304 A 305 TYR Y E E Dko - 214 330 -119.9 127.5 -177.1 -176.4 8.2 169.0 213 -2.9 215 -3.1 0 0.0 0 0.0 11 68
305 A 306 LEU L E E Dko + 215 331 -130.3 131.2 178.9 164.0 7.9 170.2 330 -2.4 332 -1.9 0 0.0 0 0.0 12 69
306 A 307 CYS C E E Dko + 216 332 -150.1 137.6 177.8 93.5 21.6 171.5 215 -2.4 217 -2.2 0 0.0 0 0.0 15 66
307 A 308 GLY G E E D o S- 0 333 171.1 -169.3 179.3 -29.6 73.2 165.6 332 -1.4 334 -2.6 0 0.0 0 0.0 15 61
308 A 309 PRO P E E >D o T - 0 334 -62.4 159.5 -179.1 -101.5 69.4 103.3 0 0.0 312 -2.3 0 0.0 0 0.0 12 48
309 A 310 VAL V H H > TS+ 0 0 -52.1 -49.8 -179.3 50.6 118.6 24.2 334 -0.6 313 -2.7 0 0.0 0 0.0 10 40
310 A 311 PRO P H H > TS+ 0 0 -57.8 -44.2 -179.6 47.0 112.1 23.6 0 0.0 314 -2.2 0 0.0 0 0.0 6 36
311 A 312 MET M H H > TS+ 0 0 -64.0 -43.0 -179.9 49.7 112.7 24.4 0 0.0 315 -2.2 0 0.0 0 0.0 9 44
312 A 313 VAL V H H X TS+ 0 0 -63.6 -45.7 179.8 46.2 112.4 21.3 308 -2.3 316 -2.4 0 0.0 0 0.0 15 50
313 A 314 GLU E H H X TS+ 0 0 -66.0 -33.9 179.5 54.8 110.3 28.9 309 -2.7 317 -2.6 0 0.0 0 0.0 8 42
314 A 315 ALA A H H X TS+ 0 0 -64.3 -44.3 179.6 45.3 110.2 21.9 310 -2.2 318 -2.2 0 0.0 0 0.0 8 39
315 A 316 VAL V H H X TS+ 0 0 -65.8 -40.0 -180.0 51.7 112.6 25.1 311 -2.2 319 -2.7 0 0.0 0 0.0 10 47
316 A 317 ARG R H H X TS+ 0 0 -63.5 -41.9 179.2 48.8 109.6 23.7 312 -2.4 320 -2.4 0 0.0 0 0.0 8 46
317 A 318 SER S H H X TS+ 0 0 -61.9 -43.5 179.9 50.2 112.0 23.7 313 -2.6 321 -3.0 0 0.0 0 0.0 8 30
318 A 319 TRP W H H X TS+ 0 0 -60.9 -47.1 179.3 49.8 109.4 22.6 314 -2.2 322 -2.4 0 0.0 0 0.0 9 30
319 A 320 LEU L H H X >TS+ 0 0 -58.2 -45.2 -179.8 46.2 114.2 22.1 315 -2.7 324 -2.6 0 0.0 323 -0.7 10 42
320 A 321 ASP D H H < >5TS+ 0 0 -63.8 -48.5 -179.6 46.8 113.5 21.0 316 -2.4 323 -0.8 0 0.0 0 0.0 9 27
321 A 322 THR T H H < 35TS+ 0 0 -64.0 -33.8 179.6 51.0 112.2 34.0 317 -3.0 0 0.0 0 0.0 0 0.0 7 16
322 A 323 GLN Q H H < 35TS- 0 0 -77.4 -16.0 -178.7 -122.2 111.6 51.1 318 -2.4 0 0.0 0 0.0 0 0.0 6 22
323 A 324 GLY G T h < <5T + 0 0 77.6 28.4 179.8 160.7 53.7 37.5 320 -0.8 325 -0.7 319 -0.7 0 0.0 6 21
324 A 325 ILE I t 5555< >5555< 5-turns
3-turns >33< >33< >33< >33< >>3<<>33< >33< >33< >> 3-turns
bridge-2 bbbb DDD*D DDDD bridge-2
bridge-1 AAAAAA AAAAAA CCC EE CCC EE bbbb bridge-1
sheets AAAAAA AAAAAA AAAAAA BB AAA BB AAAAA sheets
4-turns >>>>X<<<< >444<>>>><<<< >444< >444 4-turns
summary EEEEEEeTTteEEEEEEtTTthHHHHHHHhTt S S SSSSStTeEEEEEE eEE gGGGgtTTTthHHHHHHhEEEeTTtEEeSSEEEEEeStTgG summary
sequence SNHQVALQFEDGVTRFICIAQGETLSDAAYRQQINIPMDCREGECGTCRAFCESGNYDMPEDNYIEDALTPEEAQQGYVLACQCRPTSDAVFQIQASSEV sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand GG EEEEEEEEEEEESSSSEEEEEEEE TT TT EEEEE TTSS EEEEE S TT SEEEEEEE TT HHHHHHHTT TT EEEEEEEE Kabs/Sand
chirality ++------+--+--+----++--+------++----+--++-------++-+---+---+--++-+---------++-++++++++++-++-+-----++ chirality
bends SS SSSS SS SS SSSS S SS SS SS SSSSSSSSS SS bends
turns TTT TTTT TTTT TTTT TTTT TTTTTTTTTTTTTTTTTT turns
5-turns >>555<< 5-turns
3-turns 3<< >33< >33< >33< >33< >33< >33< 3-turns
bridge-2 GGG*GGGG HHHHHHH JJJJJ II**I bridge-2
bridge-1 FFFFFF GGGGGGG I*II JJJJJ HHHHHHH FFFFFF bridge-1
sheets CCCCCCCCCCCC CCCCCCCC CCCCC CCCCC CCCCCCC CCCCCCCC sheets
4-turns < >>>>X<<<< 4-turns
summary GGg EEEEEEEEEEEEeSSeEEEEEEEEeTTt tTTeEEEEEeTTtSeEEEEEe StTTteEEEEEEEetTThHHHHHHHhTttTTeEEEEEEEE summary
sequence CKTKIHHFEGTLARVENLSDSTITFDIQLDDGQPDIHFLAGQYVNVTLPGTTETRSYSFSSQPGNRLTGFVVRNVPQGKMSEYLSVQAKAGDKMSFTGPF sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand S S SS EEEEEEGGGHHHHHHHHHHHHHH SS EEEEEEESSGGG HHHHHHHHHH TTEEEEEEETT SSSSEES SGGG GGGGGGG Kabs/Sand
chirality -++----++---------+++++++++++++++---+-------+---++++++++++++++++-+++------+--+-++--+--++++--+++---++ chirality
bends S S SS SS SSSSSSSSSSSSSS SS SSSSS SSSSSSSSSS SS SS SSSS S SSSS SSSS SS bends
turns TTTTTTTTTTTTTTTTTTT TTTTT TTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >>><33< >>3<< >33< >33< >>3<<>>>>>>XXXXXXXX<<<< >>>>XXXX<<<< 4-turns
summary S S SSeEEEEEEeThHHHHHHHHHHHHHHh SSeEEEEEEESgGGGg hHHHHHHHHHHhTeEEEEEEEeTt SSSSEEe gGGGggGGGGGGGg summary
sequence GSFYLRDVKRPVLMLAGGTGIAPFLSMLQVLEQKGSEHPVRLVFGVTQDCDLVALEQLDALQQKLPWFEYRTVVAHAESQHERKGYVTGHIEYDWLNGGE sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand SEEEEEEEHHHHHHHHHHHHHHT SEEEEEEE Kabs/Sand
chirality ----++--+++++++++++++-+---+-++---+- chirality
bends S S SSSSSSSSSSSSSS S bends
turns TTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< 3-turns
bridge-2 ooooooo bridge-2
bridge-1 kkkkk ooooooo bridge-1
sheets DDDDDDD DDDDDDD sheets
4-turns >>>>XXXXXXXX<<<< 4-turns
summary eEEEEEEEHHHHHHHHHHHHHHht SEEEEEEE summary
sequence VDVYLCGPVPMVEAVRSWLDTQGIQPANFLFEKFSAN sequence
310 320 330