Secondary structure calculation program - copyright by David Keith Smith, 1989
1nfkA.pdb
1NFK COMPLEX (TRANSCRIPTION FACTOR/DNA) MOL_ID: 1; MOL_ID: 1;
Sequence length - 312
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 39 GLY G 0 0 999.9 150.8 -179.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 17
2 A 40 PRO P + 0 0 -55.7 148.2 179.6 175.0 999.9 97.9 0 0.0 0 0.0 0 0.0 0 0.0 9 27
3 A 41 TYR Y E E AA - 47 0 -154.4 176.3 -178.2 -113.8 35.0 159.8 47 -1.4 47 -3.3 0 0.0 0 0.0 9 35
4 A 42 LEU L E E AA + 46 0 -115.6 127.9 178.7 178.3 33.5 162.9 0 0.0 0 0.0 0 0.0 0 0.0 14 46
5 A 43 GLN Q E E AA - 45 0 -136.0 143.3 179.8 -125.3 28.3 177.3 45 -2.3 45 -2.5 0 0.0 7 -0.5 9 43
6 A 44 ILE I E E AA + 44 0 -88.5 119.4 178.8 175.0 24.7 137.1 0 0.0 0 0.0 0 0.0 0 0.0 10 43
7 A 45 LEU L S e S+ 0 0 -81.1 -72.1 179.0 33.6 78.2 23.1 43 -1.8 9 -0.7 5 -0.5 0 0.0 8 34
8 A 46 GLU E S S S- 0 0 -92.1 113.2 179.0 -154.8 82.4 138.9 0 0.0 43 -2.6 0 0.0 0 0.0 11 39
9 A 47 GLN Q - 0 0 -78.8 158.9 179.2 -99.5 27.6 109.6 7 -0.7 32 -2.6 0 0.0 0 0.0 11 44
10 A 48 PRO P B B A - 31 0 -85.7 147.5 180.0 -107.0 39.0 134.3 0 0.0 0 0.0 0 0.0 0 0.0 13 54
11 A 49 LYS K - 0 0 -68.0 139.1 -178.6 -146.9 24.0 118.3 30 -2.1 0 0.0 0 0.0 0 0.0 12 47
12 A 50 GLN Q S S S+ 0 0 -76.6 -47.5 -179.4 34.6 71.2 26.0 0 0.0 200 -2.8 0 0.0 0 0.0 10 44
13 A 51 ARG R S S S+ 0 0 -113.9 156.5 178.7 44.8 95.1 138.7 0 0.0 0 0.0 0 0.0 0 0.0 9 44
14 A 52 GLY G S S S+ 0 0 105.3 -13.5 -178.3 106.3 76.7 76.6 0 0.0 0 0.0 0 0.0 0 0.0 11 46
15 A 53 PHE F - 0 0 -104.9 138.9 178.5 -140.6 57.3 144.0 0 0.0 202 -2.1 0 0.0 0 0.0 11 54
16 A 54 ARG R - 0 0 -104.4 130.5 176.2 -135.7 7.4 149.6 0 0.0 0 0.0 0 0.0 0 0.0 8 49
17 A 55 PHE F - 0 0 -72.7 141.8 -177.7 -139.3 30.5 125.2 0 0.0 0 0.0 0 0.0 0 0.0 11 56
18 A 56 ARG R B B b - 102 0 -109.3 146.8 176.5 -134.7 1.2 146.4 101 -2.1 103 -4.4 0 0.0 0 0.0 13 41
19 A 57 TYR Y g > > T - 0 0 -92.0 157.3 -179.4 -105.4 36.0 135.5 0 0.0 22 -1.6 0 0.0 23 -0.6 10 34
20 A 58 VAL V G G 4 > TS+ 0 0 -47.1 -41.5 -178.9 56.4 120.4 29.8 0 0.0 23 -0.9 0 0.0 0 0.0 8 28
21 A 59 CYS C G G 4 3 TS+ 0 0 -62.6 -33.1 -175.4 69.4 91.6 45.3 0 0.0 0 0.0 0 0.0 0 0.0 5 17
22 A 60 GLU E G G 4 < TS- 0 0 -66.0 -25.2 -179.6 -125.5 98.2 44.4 19 -1.6 0 0.0 0 0.0 0 0.0 6 18
23 A 61 GLY G g < < T - 0 0 102.3 177.7 -180.0 -31.6 49.7 115.1 20 -0.9 0 0.0 19 -0.6 0 0.0 7 20
24 A 62 PRO P - 0 0 -69.2 163.7 176.8 -105.4 65.3 102.5 0 0.0 0 0.0 0 0.0 0 0.0 6 25
25 A 63 SER S - 0 0 -82.7 149.4 178.9 -122.6 27.9 121.6 0 0.0 27 -1.0 0 0.0 0 0.0 7 31
26 A 64 HIS H S S S- 0 0 -95.7 78.8 -177.0 -13.0 87.6 133.5 0 0.0 0 0.0 0 0.0 0 0.0 4 26
27 A 65 GLY G S S S- 0 0 128.5 -137.0 -179.9 -106.9 90.8 172.7 25 -1.0 0 0.0 0 0.0 0 0.0 6 34
28 A 66 GLY G - 0 0 -174.6 177.3 -179.9 -34.8 54.7 164.4 0 0.0 0 0.0 0 0.0 0 0.0 10 48
29 A 67 LEU L - 0 0 -53.2 119.9 -180.0 -141.6 68.9 108.0 99 -3.2 0 0.0 0 0.0 0 0.0 14 58
30 A 68 PRO P - 0 0 -82.7 165.9 179.4 -103.9 11.5 114.8 0 0.0 11 -2.1 0 0.0 0 0.0 13 49
31 A 69 GLY G B B A > T - 10 0 -93.2 149.7 -178.1 -107.9 32.3 130.0 40 -2.6 34 -2.8 0 0.0 0 0.0 13 42
32 A 70 ALA A T T 3 TS+ 0 0 -42.9 -40.0 -177.7 42.0 117.3 41.4 9 -2.6 0 0.0 0 0.0 0 0.0 12 36
33 A 71 SER S T T 3 TS+ 0 0 -98.9 15.5 180.0 127.8 86.4 78.0 0 0.0 0 0.0 0 0.0 0 0.0 8 26
34 A 72 SER S t < T + 0 0 -74.2 157.0 179.9 160.2 23.8 107.2 31 -2.8 0 0.0 0 0.0 0 0.0 11 29
35 A 73 GLU E t > T - 0 0 -164.2 158.7 179.4 -98.4 53.9 157.7 0 0.0 38 -1.0 0 0.0 0 0.0 7 23
36 A 74 LYS K T T 3 TS+ 0 0 -55.7 -38.7 179.2 62.7 120.9 30.2 0 0.0 0 0.0 0 0.0 0 0.0 5 16
37 A 75 ASN N T T 3 TS- 0 0 -55.4 -32.4 178.3 -3.8 133.4 30.4 0 0.0 0 0.0 0 0.0 0 0.0 4 11
38 A 76 LYS K S t < TS- 0 0 -169.0 97.3 -179.3 -157.0 80.3 129.5 35 -1.0 0 0.0 0 0.0 0 0.0 6 15
39 A 77 LYS K - 0 0 -65.7 170.5 178.9 -173.3 12.7 93.9 0 0.0 0 0.0 0 0.0 0 0.0 10 28
40 A 78 SER S - 0 0 -167.8 160.2 -178.8 -141.9 15.7 173.2 0 0.0 31 -2.6 0 0.0 0 0.0 11 33
41 A 79 TYR Y - 0 0 -125.5 161.1 179.3 -77.8 42.1 145.1 0 0.0 0 0.0 0 0.0 0 0.0 16 43
42 A 80 PRO P e - 0 0 -57.6 149.4 -176.3 -173.0 51.5 105.4 0 0.0 96 -3.2 0 0.0 0 0.0 16 55
43 A 81 GLN Q E E A B - 0 95 -152.0 146.2 178.3 -179.9 15.2 174.9 8 -2.6 7 -1.8 0 0.0 0 0.0 12 49
44 A 82 VAL V E E AAB - 6 94 -143.0 159.5 -179.7 -157.0 9.2 163.2 94 -2.5 94 -3.3 0 0.0 0 0.0 12 53
45 A 83 LYS K E E AAB - 5 93 -140.1 143.6 179.0 -126.3 20.9 172.2 5 -2.5 5 -2.3 0 0.0 47 -0.8 11 47
46 A 84 ILE I E E AA > T - 4 0 -92.7 111.8 178.3 -150.2 31.7 148.3 92 -2.0 49 -0.6 0 0.0 0 0.0 13 45
47 A 85 CYS C E E AA 3 TS+ 3 0 -80.5 154.1 179.2 25.7 75.3 123.6 3 -3.3 3 -1.4 45 -0.8 0 0.0 10 38
48 A 86 ASN N T T 3 TS- 0 0 62.7 30.5 176.3 -120.0 101.4 34.7 0 0.0 50 -1.5 0 0.0 0 0.0 7 28
49 A 87 TYR Y t < T - 0 0 46.7 -75.4 -177.6 -174.8 35.6 95.7 46 -0.6 0 0.0 0 0.0 0 0.0 8 34
50 A 88 VAL V - 0 0 45.5 51.7 178.2 -57.2 61.2 32.0 48 -1.5 0 0.0 0 0.0 0 0.0 10 39
51 A 89 GLY G S S S- 0 0 63.5 146.5 179.3 -54.2 79.9 57.3 0 0.0 0 0.0 0 0.0 0 0.0 7 36
52 A 90 PRO P S S S+ 0 0 -50.8 119.5 -177.3 177.4 75.5 109.3 0 0.0 0 0.0 0 0.0 0 0.0 13 40
53 A 91 ALA A e - 0 0 -111.8 -155.7 178.1 -111.6 29.6 94.7 0 0.0 87 -1.7 0 0.0 0 0.0 13 50
54 A 92 LYS K E E BCD - 179 86 -144.4 142.3 -178.7 -151.6 22.5 166.8 179 -0.5 179 -2.6 0 0.0 0 0.0 12 55
55 A 93 VAL V E E BCD - 178 85 -124.9 131.0 179.1 -164.4 6.0 170.8 85 -3.9 85 -2.9 0 0.0 0 0.0 12 63
56 A 94 ILE I E E BCD - 177 84 -113.9 141.0 177.6 -160.4 2.8 158.0 177 -2.9 177 -2.2 0 0.0 0 0.0 11 67
57 A 95 VAL V E E BCD + 176 83 -116.9 145.3 177.8 176.4 13.8 153.5 83 -1.6 83 -1.9 0 0.0 0 0.0 11 73
58 A 96 GLN Q E E BC - 175 0 -145.1 156.7 177.2 -113.5 31.7 167.2 175 -1.8 175 -2.6 0 0.0 60 -0.6 13 68
59 A 97 LEU L E E BC + 174 0 -95.0 118.2 179.7 176.7 38.8 148.2 0 0.0 69 -2.5 0 0.0 0 0.0 16 71
60 A 98 VAL V E E BCC - 173 68 -116.6 165.3 -179.0 -98.8 28.4 133.0 173 -1.9 173 -2.4 58 -0.6 0 0.0 13 62
61 A 99 THR T - 0 0 -80.5 173.9 -179.4 -120.1 22.0 107.0 67 -1.6 0 0.0 0 0.0 0 0.0 13 53
62 A 100 ASN N S S S+ 0 0 -107.6 51.2 -178.9 109.0 71.6 112.1 0 0.0 0 0.0 0 0.0 0 0.0 11 37
63 A 101 GLY G S S S- 0 0 -117.5 -169.9 178.7 -82.1 86.6 116.0 0 0.0 0 0.0 0 0.0 0 0.0 5 34
64 A 102 LYS K S S S+ 0 0 -60.5 -34.0 179.9 30.8 123.8 35.7 0 0.0 0 0.0 0 0.0 0 0.0 4 24
65 A 103 ASN N S S S- 0 0 -132.7 107.4 -179.3 -129.4 91.8 161.1 0 0.0 0 0.0 0 0.0 0 0.0 5 34
66 A 104 ILE I + 0 0 -60.9 117.4 178.9 163.9 38.8 113.9 0 0.0 0 0.0 0 0.0 0 0.0 10 46
67 A 105 HIS H - 0 0 -119.0 -170.3 179.6 -63.5 45.5 123.5 0 0.0 61 -1.6 0 0.0 0 0.0 9 64
68 A 106 LEU L B B C - 60 0 -80.8 147.3 178.2 -138.6 46.2 120.9 130 -1.1 0 0.0 0 0.0 0 0.0 13 72
69 A 107 HIS H - 0 0 -99.5 161.6 178.7 -135.1 8.9 131.8 59 -2.5 0 0.0 0 0.0 0 0.0 11 72
70 A 108 ALA A S S S+ 0 0 -94.4 -4.8 177.9 87.8 79.8 67.1 0 0.0 0 0.0 0 0.0 0 0.0 11 63
71 A 109 HIS H S S S- 0 0 -88.2 167.6 -177.7 -131.3 73.3 129.7 0 0.0 0 0.0 0 0.0 0 0.0 11 62
72 A 110 SER S E E CE - 102 0 -130.3 138.0 175.4 -132.1 6.2 163.1 102 -1.4 102 -2.7 0 0.0 0 0.0 14 63
73 A 111 LEU L E E CE - 101 0 -78.2 133.2 -179.5 -163.4 33.2 126.2 81 -0.7 0 0.0 0 0.0 0 0.0 14 58
74 A 112 VAL V E E CE + 100 0 -121.2 147.4 -179.1 101.6 30.9 154.1 100 -2.4 100 -2.8 0 0.0 0 0.0 12 45
75 A 113 GLY G S t > TS- 0 0 167.7 -165.5 -178.4 -56.0 77.2 169.0 0 0.0 78 -0.8 0 0.0 0 0.0 9 40
76 A 114 LYS K T T 3 TS+ 0 0 -72.8 -48.7 179.9 33.0 129.7 24.3 0 0.0 0 0.0 0 0.0 0 0.0 4 30
77 A 115 HIS H T e 3 TS+ 0 0 -98.2 35.6 -177.5 114.2 100.6 92.5 0 0.0 84 -3.2 0 0.0 0 0.0 7 30
78 A 116 CYS C E E BF < T + 83 0 -114.5 138.7 -177.0 168.4 34.6 149.7 75 -0.8 0 0.0 0 0.0 0 0.0 11 35
79 A 117 GLU E E E BF > T - 82 0 -151.9 119.8 -179.2 -8.9 68.5 155.8 82 -3.5 82 -1.1 0 0.0 0 0.0 8 31
80 A 118 ASP D T T 3 TS- 0 0 61.2 41.4 179.2 -54.4 126.7 28.6 0 0.0 0 0.0 0 0.0 0 0.0 7 42
81 A 119 GLY G T T 3 TS+ 0 0 77.2 -5.1 179.7 101.6 122.2 65.0 0 0.0 73 -0.7 0 0.0 0 0.0 12 54
82 A 120 VAL V E E B F< T - 0 79 -114.4 131.5 179.7 -155.2 58.7 161.1 79 -1.1 79 -3.5 0 0.0 0 0.0 12 55
83 A 121 CYS C E E BDF - 57 78 -104.2 146.7 179.5 -165.3 7.6 146.2 57 -1.9 57 -1.6 0 0.0 0 0.0 14 52
84 A 122 THR T E E BD + 56 0 -141.7 118.1 -177.5 166.6 12.8 160.2 77 -3.2 0 0.0 0 0.0 0 0.0 11 49
85 A 123 VAL V E E BD - 55 0 -128.7 151.6 -179.4 -120.9 28.1 156.1 55 -2.9 55 -3.9 0 0.0 0 0.0 9 44
86 A 124 THR T E E BD - 54 0 -101.7 143.0 178.2 -135.8 9.4 141.4 0 0.0 88 -0.9 0 0.0 0 0.0 9 43
87 A 125 ALA A e - 0 0 -91.7 100.8 -179.3 -135.7 34.0 144.5 53 -1.7 0 0.0 0 0.0 0 0.0 12 45
88 A 126 GLY G - 0 0 -54.0 163.1 -179.4 -95.1 25.1 96.0 86 -0.9 0 0.0 0 0.0 0 0.0 8 28
89 A 127 PRO P S S S+ 0 0 -48.2 -52.0 -178.3 19.4 114.7 36.7 0 0.0 0 0.0 0 0.0 0 0.0 7 25
90 A 128 LYS K S S S+ 0 0 -93.4 -45.0 -179.1 63.9 115.5 30.1 0 0.0 92 -0.6 0 0.0 0 0.0 5 19
91 A 129 ASP D - 0 0 -91.9 118.9 -178.7 -179.8 50.8 140.9 0 0.0 0 0.0 0 0.0 0 0.0 6 24
92 A 130 MET M e + 0 0 -102.3 21.6 178.3 107.0 49.9 91.3 90 -0.6 46 -2.0 0 0.0 94 -0.6 12 37
93 A 131 VAL V E E AB - 45 0 -107.3 120.6 179.9 -169.0 49.1 160.9 0 0.0 95 -0.5 0 0.0 0 0.0 9 39
94 A 132 VAL V E E AB - 44 0 -111.6 122.0 179.5 -166.9 2.6 160.6 44 -3.3 44 -2.5 92 -0.6 0 0.0 10 46
95 A 133 GLY G E E AB - 43 0 -108.1 153.1 180.0 -149.0 12.4 143.8 93 -0.5 0 0.0 0 0.0 0 0.0 8 50
96 A 134 PHE F e + 0 0 -125.0 81.2 178.8 163.3 27.2 136.5 42 -3.2 0 0.0 0 0.0 0 0.0 8 53
97 A 135 ALA A + 0 0 -95.1 142.7 179.1 24.9 62.7 138.3 0 0.0 0 0.0 0 0.0 0 0.0 10 42
98 A 136 ASN N S S S+ 0 0 71.4 51.2 178.9 160.7 75.9 14.9 0 0.0 100 -0.6 0 0.0 0 0.0 9 39
99 A 137 LEU L - 0 0 -107.3 117.1 178.9 -167.6 18.2 160.3 0 0.0 29 -3.2 0 0.0 0 0.0 11 56
100 A 138 GLY G E E CE - 74 0 -101.5 155.3 177.0 -144.1 13.2 131.8 74 -2.8 74 -2.4 98 -0.6 0 0.0 14 54
101 A 139 ILE I E E CE - 73 0 -118.6 126.3 -178.6 -148.3 14.8 174.5 0 0.0 18 -2.1 0 0.0 103 -0.5 12 66
102 A 140 LEU L E E CEb - 72 18 -101.2 125.4 -175.6 -140.5 10.5 151.7 72 -2.7 72 -1.4 0 0.0 104 -0.5 12 57
103 A 141 HIS H - 0 0 -91.2 120.3 176.7 -152.0 11.6 139.2 18 -4.4 0 0.0 101 -0.5 0 0.0 11 52
104 A 142 VAL V - 0 0 -89.4 155.9 177.9 -117.4 18.5 126.4 102 -0.5 0 0.0 0 0.0 0 0.0 12 45
105 A 143 THR T - 0 0 -83.2 158.8 -178.1 -108.8 29.8 118.6 0 0.0 0 0.0 0 0.0 0 0.0 7 31
106 A 144 LYS K S t > TS+ 0 0 -63.7 -23.2 178.8 61.7 118.4 44.9 0 0.0 109 -0.6 0 0.0 0 0.0 5 29
107 A 145 LYS K T T 3 TS+ 0 0 -67.1 -53.4 -179.9 43.9 105.2 17.7 0 0.0 0 0.0 0 0.0 0 0.0 6 22
108 A 146 LYS K T h > 3 TS+ 0 0 -80.7 20.8 -179.9 97.9 87.7 77.7 0 0.0 112 -2.1 0 0.0 0 0.0 8 29
109 A 147 VAL V H H > < TS+ 0 0 -71.9 -67.1 -178.8 38.9 84.4 2.5 106 -0.6 113 -3.0 0 0.0 0 0.0 11 41
110 A 148 PHE F H H > TS+ 0 0 -47.5 -46.8 -178.8 54.1 118.2 25.1 0 0.0 114 -3.0 0 0.0 0 0.0 11 37
111 A 149 GLU E H H > TS+ 0 0 -52.2 -61.9 -179.2 38.2 113.3 16.4 0 0.0 115 -1.6 0 0.0 0 0.0 7 35
112 A 150 THR T H H X TS+ 0 0 -59.0 -44.2 179.5 53.6 116.0 24.7 108 -2.1 116 -2.5 0 0.0 0 0.0 9 46
113 A 151 LEU L H H X TS+ 0 0 -58.7 -51.1 -178.9 54.1 104.2 22.4 109 -3.0 117 -2.7 0 0.0 0 0.0 13 56
114 A 152 GLU E H H X TS+ 0 0 -53.5 -42.2 179.7 46.5 111.4 24.3 110 -3.0 118 -1.4 0 0.0 0 0.0 11 46
115 A 153 ALA A H H X TS+ 0 0 -66.8 -44.3 179.5 52.8 109.7 21.2 111 -1.6 119 -3.0 0 0.0 0 0.0 8 48
116 A 154 ARG R H H X TS+ 0 0 -57.2 -43.6 178.2 46.1 111.9 26.3 112 -2.5 120 -2.3 0 0.0 0 0.0 12 57
117 A 155 MET M H H X TS+ 0 0 -68.8 -29.7 179.3 52.2 112.4 38.5 113 -2.7 121 -1.6 0 0.0 0 0.0 13 60
118 A 156 THR T H H X TS+ 0 0 -70.7 -55.8 -179.5 39.6 114.6 9.9 114 -1.4 122 -2.4 0 0.0 0 0.0 10 50
119 A 157 GLU E H H X TS+ 0 0 -62.5 -34.7 179.0 55.6 113.8 30.4 115 -3.0 123 -2.7 0 0.0 0 0.0 9 51
120 A 158 ALA A H H < >TS+ 0 0 -62.4 -43.5 -179.6 46.6 110.1 24.0 116 -2.3 125 -2.7 0 0.0 0 0.0 12 61
121 A 159 CYS C H H < >5TS+ 0 0 -66.2 -45.7 -179.0 40.6 117.1 21.1 117 -1.6 124 -0.9 0 0.0 0 0.0 13 51
122 A 160 ILE I H H < 35TS+ 0 0 -72.7 -37.7 179.9 47.1 118.0 24.7 118 -2.4 0 0.0 0 0.0 0 0.0 12 40
123 A 161 ARG R T h < 35TS- 0 0 -85.4 12.2 179.8 -116.7 113.1 76.1 119 -2.7 0 0.0 0 0.0 0 0.0 11 45
124 A 162 GLY G T T <5T + 0 0 57.6 33.2 179.7 158.3 57.0 40.3 121 -0.9 126 -1.5 0 0.0 0 0.0 14 51
125 A 163 TYR Y S t >T + 0 0 57.4 68.4 -179.8 173.5 67.4 13.0 124 -1.5 130 -1.9 0 0.0 131 -0.5 11 56
127 A 165 PRO P I I 4 >TS+ 0 0 -77.5 -24.7 179.2 49.7 75.1 45.2 0 0.0 132 -2.0 0 0.0 0 0.0 16 54
128 A 166 GLY G I I 4 5TS+ 0 0 -82.8 -30.4 -179.1 41.0 117.4 35.6 0 0.0 0 0.0 0 0.0 0 0.0 12 38
129 A 167 LEU L I I 4 5TS+ 0 0 -78.3 -60.1 -176.8 20.4 130.4 13.3 0 0.0 0 0.0 0 0.0 0 0.0 9 46
130 A 168 LEU L I I < 5TS+ 0 0 -84.7 -34.3 -178.2 37.4 128.8 37.1 126 -1.9 68 -1.1 0 0.0 0 0.0 10 63
131 A 169 VAL V I I T - 0 0 -96.0 164.3 179.6 -105.4 30.6 120.4 0 0.0 153 -2.7 0 0.0 0 0.0 6 20
150 A 188 ASP D H H > TS+ 0 0 -54.7 -49.1 179.5 53.2 119.6 27.2 0 0.0 154 -2.5 0 0.0 0 0.0 6 17
151 A 189 ARG R H H > TS+ 0 0 -53.8 -45.9 -179.3 46.5 112.6 19.9 0 0.0 155 -2.7 0 0.0 0 0.0 6 20
152 A 190 GLU E H H > TS+ 0 0 -60.8 -59.2 177.4 47.6 111.7 13.3 0 0.0 156 -3.4 0 0.0 0 0.0 10 35
153 A 191 LYS K H H X TS+ 0 0 -50.1 -35.3 179.4 52.7 113.4 32.3 149 -2.7 157 -1.4 0 0.0 0 0.0 10 34
154 A 192 GLU E H H X TS+ 0 0 -68.9 -45.3 178.6 46.1 108.7 17.8 150 -2.5 158 -1.9 0 0.0 0 0.0 8 27
155 A 193 ILE I H H X TS+ 0 0 -61.6 -42.0 179.1 56.9 110.0 21.9 151 -2.7 159 -2.1 0 0.0 0 0.0 9 36
156 A 194 ILE I H H X TS+ 0 0 -58.5 -32.8 179.8 51.2 106.2 32.7 152 -3.4 160 -2.1 0 0.0 0 0.0 13 45
157 A 195 ARG R H H X TS+ 0 0 -72.4 -49.1 179.9 47.6 107.6 20.9 153 -1.4 161 -2.1 0 0.0 0 0.0 9 39
158 A 196 GLN Q H H X TS+ 0 0 -59.4 -36.1 177.9 53.6 112.1 27.3 154 -1.9 162 -2.2 0 0.0 0 0.0 8 32
159 A 197 ALA A H H X TS+ 0 0 -60.3 -57.9 178.1 45.5 110.1 9.7 155 -2.1 163 -2.6 0 0.0 0 0.0 10 44
160 A 198 ALA A H H X TS+ 0 0 -54.7 -35.6 178.8 54.7 111.1 38.3 156 -2.1 164 -1.1 0 0.0 0 0.0 12 46
161 A 199 VAL V H H X TS+ 0 0 -65.6 -52.7 -179.6 35.4 116.4 12.6 157 -2.1 165 -0.9 0 0.0 0 0.0 9 33
162 A 200 GLN Q H H X > TS+ 0 0 -64.1 -58.1 -178.9 49.4 118.2 8.5 158 -2.2 165 -1.5 0 0.0 166 -0.8 8 33
163 A 201 GLN Q H H < 3 TS+ 0 0 -56.9 -22.8 177.7 65.6 100.0 47.6 159 -2.6 0 0.0 0 0.0 0 0.0 8 42
164 A 202 THR T H H < > TS+ 0 0 -65.6 -37.0 -179.4 51.0 102.3 22.8 160 -1.1 167 -1.0 0 0.0 0 0.0 10 41
165 A 203 LYS K H H < < TS+ 0 0 -69.7 -26.6 -176.5 48.6 110.6 41.0 162 -1.5 0 0.0 161 -0.9 0 0.0 6 29
166 A 204 GLU E T h < 3 TS+ 0 0 -111.2 39.6 -179.9 114.2 84.6 96.7 162 -0.8 0 0.0 0 0.0 0 0.0 6 32
167 A 205 MET M t < T - 0 0 -118.0 130.9 179.6 -152.8 50.1 158.2 164 -1.0 169 -0.6 0 0.0 0 0.0 8 45
168 A 206 ASP D t > T - 0 0 -98.4 120.1 -177.1 -164.5 1.2 150.8 0 0.0 171 -0.6 0 0.0 0 0.0 8 47
169 A 207 LEU L T T 3 TS+ 0 0 -86.9 4.4 -180.0 62.7 84.0 60.0 167 -0.6 0 0.0 0 0.0 0 0.0 8 49
170 A 208 SER S T e 3 TS+ 0 0 -99.2 -22.1 179.0 51.3 100.1 52.6 0 0.0 201 -2.6 0 0.0 0 0.0 7 46
171 A 209 VAL V E E BG < T + 200 0 -121.1 144.9 -177.4 168.2 61.4 162.3 168 -0.6 0 0.0 0 0.0 0 0.0 11 52
172 A 210 VAL V E E BG - 199 0 -150.9 152.7 175.4 -153.7 15.4 168.8 199 -2.4 199 -2.3 0 0.0 0 0.0 14 60
173 A 211 ARG R E E BC - 60 0 -126.8 163.8 178.6 -125.2 17.2 154.4 60 -2.4 60 -1.9 0 0.0 0 0.0 13 60
174 A 212 LEU L E E BC - 59 0 -108.7 130.9 177.6 -164.7 17.6 154.9 0 0.0 196 -3.2 0 0.0 0 0.0 12 72
175 A 213 MET M E E BCH - 58 195 -116.7 124.4 179.1 -164.1 6.1 167.6 58 -2.6 58 -1.8 0 0.0 0 0.0 12 66
176 A 214 PHE F E E BCH - 57 194 -108.5 139.8 179.7 -177.4 7.2 156.0 194 -1.8 194 -1.4 0 0.0 0 0.0 11 66
177 A 215 THR T E E BC - 56 0 -140.4 125.9 -179.5 -156.1 8.9 172.0 56 -2.2 56 -2.9 0 0.0 0 0.0 13 62
178 A 216 ALA A E E BC - 55 0 -105.2 150.1 -179.6 -149.9 2.7 142.8 0 0.0 191 -1.5 0 0.0 0 0.0 15 57
179 A 217 PHE F E E BCI - 54 190 -127.8 113.1 179.7 -162.2 5.3 156.5 54 -2.6 54 -0.5 0 0.0 0 0.0 12 57
180 A 218 LEU L E E B I - 0 189 -90.9 141.7 -179.3 -86.4 41.1 132.2 189 -2.6 189 -3.1 0 0.0 188 -2.2 14 46
181 A 219 PRO P E E B I - 0 187 -51.0 100.9 178.3 -164.7 42.6 103.6 0 0.0 0 0.0 0 0.0 0 0.0 14 35
182 A 220 ASP D e - 0 0 -91.3 144.9 -179.9 -24.1 65.4 132.8 186 -2.3 184 -1.3 0 0.0 0 0.0 9 25
183 A 221 SER S S S S- 0 0 60.2 -90.8 179.8 -26.6 129.1 114.8 0 0.0 0 0.0 0 0.0 0 0.0 5 20
184 A 222 THR T S S S- 0 0 -158.8 115.7 180.0 -24.1 120.8 151.4 182 -1.3 186 -2.1 0 0.0 0 0.0 6 18
185 A 223 GLY G S S S+ 0 0 82.3 -67.1 180.0 109.3 99.2 115.5 0 0.0 0 0.0 0 0.0 0 0.0 6 25
186 A 224 SER S e - 0 0 -48.4 105.0 178.6 -146.4 63.4 102.2 184 -2.1 182 -2.3 0 0.0 0 0.0 10 29
187 A 225 PHE F E E BI + 181 0 -75.2 130.8 179.8 131.0 47.1 129.3 0 0.0 0 0.0 0 0.0 0 0.0 13 38
188 A 226 THR T E E B* + 0 0 -159.4 -8.6 178.0 110.7 24.1 65.7 180 -2.2 190 -1.3 0 0.0 0 0.0 11 38
189 A 227 ARG R E E BI - 180 0 -78.5 98.4 -178.9 -161.1 55.2 133.3 180 -3.1 180 -2.6 0 0.0 191 -0.7 10 43
190 A 228 ARG R E E BI - 179 0 -85.7 116.8 177.4 -149.3 3.9 141.5 188 -1.3 0 0.0 0 0.0 0 0.0 11 52
191 A 229 LEU L e - 0 0 -79.2 152.8 -178.9 -72.4 47.1 124.7 178 -1.5 0 0.0 189 -0.7 0 0.0 11 45
192 A 230 GLU E - 0 0 -49.6 122.0 179.8 -123.2 57.2 100.7 0 0.0 0 0.0 0 0.0 0 0.0 8 43
193 A 231 PRO P - 0 0 -68.7 144.0 178.7 -148.2 22.9 118.1 0 0.0 0 0.0 0 0.0 0 0.0 10 49
194 A 232 VAL V E E BH - 176 0 -121.5 134.9 -177.9 -139.9 3.5 165.1 176 -1.4 176 -1.8 0 0.0 0 0.0 9 47
195 A 233 VAL V E E BH - 175 0 -92.7 132.1 179.1 -139.3 14.5 134.7 0 0.0 0 0.0 0 0.0 0 0.0 8 47
196 A 234 SER S e - 0 0 -72.3 -175.4 176.7 -82.7 37.2 91.9 174 -3.2 0 0.0 0 0.0 0 0.0 10 48
197 A 235 ASP D - 0 0 -92.0 161.6 -178.6 -71.1 61.9 126.1 0 0.0 0 0.0 0 0.0 0 0.0 9 43
198 A 236 ALA A - 0 0 -51.3 143.0 177.6 -156.0 37.4 91.9 0 0.0 0 0.0 0 0.0 0 0.0 10 52
199 A 237 ILE I E E BG - 172 0 -122.3 123.5 -178.7 -155.8 14.0 176.3 172 -2.3 172 -2.4 0 0.0 0 0.0 12 55
200 A 238 TYR Y E E BG - 171 0 -107.7 141.4 -177.3 -111.5 21.6 151.1 12 -2.8 0 0.0 0 0.0 0 0.0 13 49
201 A 239 ASP D e > T - 0 0 -73.4 122.8 179.7 -147.0 15.3 124.5 170 -2.6 204 -2.3 0 0.0 0 0.0 14 48
202 A 240 SER S T T 3 TS+ 0 0 -68.0 -5.6 178.2 63.2 100.2 58.6 15 -2.1 209 -0.5 0 0.0 0 0.0 13 44
203 A 241 LYS K T T 3 TS+ 0 0 -100.5 15.1 178.6 104.0 79.7 78.3 0 0.0 0 0.0 0 0.0 0 0.0 8 36
204 A 242 ALA A S t X TS- 0 0 -95.5 129.7 -179.3 -126.1 81.2 150.7 201 -2.3 207 -2.9 0 0.0 0 0.0 9 38
205 A 243 PRO P T T 3 TS+ 0 0 -44.0 -37.9 179.3 45.1 109.4 41.4 0 0.0 0 0.0 0 0.0 0 0.0 9 39
206 A 244 ASN N T T 3 TS+ 0 0 -96.5 16.2 177.9 40.8 117.9 78.9 0 0.0 0 0.0 0 0.0 0 0.0 6 42
207 A 245 ALA A S t < TS+ 0 0 -145.2 19.9 -179.9 135.5 85.7 84.3 204 -2.9 0 0.0 0 0.0 0 0.0 11 42
208 A 246 SER S - 0 0 -69.0 157.2 176.3 -98.9 69.2 103.1 0 0.0 210 -0.9 0 0.0 0 0.0 12 42
209 A 247 ASN N - 0 0 -80.4 104.5 -178.7 -141.2 44.2 136.2 202 -0.5 0 0.0 0 0.0 0 0.0 7 41
210 A 248 LEU L + 0 0 -65.6 138.3 179.8 170.3 29.6 116.9 208 -0.9 303 -0.6 0 0.0 0 0.0 13 48
211 A 249 LYS K e - 0 0 -156.1 139.9 176.3 -144.4 34.3 170.6 0 0.0 233 -1.4 0 0.0 213 -0.6 9 42
212 A 250 ILE I E E DJ + 232 0 -100.8 120.1 -178.3 179.5 19.9 160.8 0 0.0 0 0.0 0 0.0 0 0.0 15 46
213 A 251 VAL V E E D* - 0 0 -93.5 -27.0 177.4 -24.2 61.8 45.3 231 -2.4 0 0.0 211 -0.6 0 0.0 8 33
214 A 252 ARG R E E DJ - 231 0 179.2 144.0 177.7 -160.7 51.4 142.1 231 -1.0 231 -2.7 0 0.0 0 0.0 7 32
215 A 253 MET M E E DJ - 230 0 -134.8 139.4 -176.5 -128.6 24.5 175.8 0 0.0 0 0.0 0 0.0 0 0.0 10 39
216 A 254 ASP D S e S+ 0 0 -59.8 -30.2 -179.1 34.3 95.0 40.6 229 -2.1 0 0.0 0 0.0 0 0.0 7 26
217 A 255 ARG R + 0 0 -133.2 120.6 179.9 179.5 55.2 169.0 0 0.0 0 0.0 0 0.0 0 0.0 7 34
218 A 256 THR T S S S+ 0 0 -106.5 24.5 179.2 40.7 71.8 85.2 0 0.0 0 0.0 0 0.0 0 0.0 8 42
219 A 257 ALA A + 0 0 -164.2 146.5 -178.3 176.5 63.8 162.7 0 0.0 0 0.0 0 0.0 0 0.0 8 41
220 A 258 GLY G E E Ek - 309 0 -155.2 161.1 -178.7 -83.5 35.8 170.8 308 -1.6 310 -1.8 0 0.0 0 0.0 11 46
221 A 259 CYS C E E Ek - 310 0 -71.4 145.2 175.3 -97.4 52.9 114.2 0 0.0 0 0.0 0 0.0 0 0.0 10 35
222 A 260 VAL V S e S+ 0 0 -55.4 136.8 -174.7 47.4 112.7 114.7 310 -2.0 0 0.0 0 0.0 0 0.0 13 40
223 A 261 THR T S S S- 0 0 117.9 -121.4 179.7 -143.6 92.9 164.9 0 0.0 278 -0.7 0 0.0 0 0.0 11 36
224 A 262 GLY G + 0 0 133.5 137.0 -176.2 124.5 58.1 109.6 0 0.0 0 0.0 0 0.0 0 0.0 11 42
225 A 263 GLY G + 0 0 154.5 9.3 178.8 135.0 43.6 81.7 0 0.0 0 0.0 0 0.0 0 0.0 9 32
226 A 264 GLU E e - 0 0 -83.6 126.8 -179.7 -121.2 58.8 135.0 0 0.0 275 -2.4 0 0.0 0 0.0 8 34
227 A 265 GLU E E E D L - 0 274 -75.4 131.0 178.5 -173.2 31.7 124.9 0 0.0 0 0.0 0 0.0 0 0.0 8 33
228 A 266 ILE I E E D L - 0 273 -129.2 132.5 176.4 -145.5 19.0 174.0 273 -3.8 273 -2.4 0 0.0 230 -0.6 11 45
229 A 267 TYR Y E E D L - 0 272 -94.5 115.2 178.9 -170.9 23.3 154.5 0 0.0 216 -2.1 0 0.0 0 0.0 11 41
230 A 268 LEU L E E DJL - 215 271 -113.6 131.0 179.5 -153.2 10.8 159.7 271 -3.2 271 -2.7 228 -0.6 232 -0.6 13 53
231 A 269 LEU L E E DJL + 214 270 -105.0 118.3 -178.3 162.2 27.2 154.2 214 -2.7 213 -2.4 0 0.0 214 -1.0 11 40
232 A 270 CYS C E E DJ - 212 0 -124.5 -175.2 175.1 -91.6 41.0 119.7 269 -1.2 0 0.0 230 -0.6 0 0.0 14 43
233 A 271 ASP D S e S- 0 0 -95.3 159.0 -175.3 -46.7 79.5 137.9 211 -1.4 0 0.0 0 0.0 0 0.0 11 41
234 A 272 LYS K + 0 0 -33.5 118.7 178.8 171.6 69.8 80.7 0 0.0 0 0.0 0 0.0 0 0.0 9 39
235 A 273 VAL V - 0 0 -127.5 162.9 179.6 -111.7 36.4 148.5 268 -1.3 237 -0.7 0 0.0 0 0.0 13 47
236 A 274 GLN Q t > > T - 0 0 -103.2 109.9 -178.2 -144.6 22.4 153.8 0 0.0 239 -2.9 0 0.0 240 -1.1 9 44
237 A 275 LYS K T T 4 3 TS+ 0 0 -41.7 -37.8 -178.4 45.6 96.2 52.0 235 -0.7 0 0.0 0 0.0 0 0.0 9 38
238 A 276 ASP D T T 4 3 TS+ 0 0 -94.9 7.3 -179.5 39.1 120.5 67.1 0 0.0 0 0.0 0 0.0 0 0.0 5 30
239 A 277 ASP D T e 4 < TS+ 0 0 -131.7 -1.7 -177.4 94.5 93.4 64.0 236 -2.9 296 -2.8 0 0.0 0 0.0 9 41
240 A 278 ILE I E E T - 0 0 -114.7 170.2 180.0 -103.4 37.8 133.9 0 0.0 264 -1.8 0 0.0 0 0.0 6 31
262 A 300 PRO P G G > TS+ 0 0 -62.3 -30.2 179.2 63.9 121.4 30.5 0 0.0 265 -1.5 0 0.0 0 0.0 7 28
263 A 301 THR T G G 3 TS+ 0 0 -67.2 -13.9 -179.1 64.2 91.9 52.1 0 0.0 0 0.0 0 0.0 0 0.0 6 23
264 A 302 ASP D G G < TS+ 0 0 -85.5 -16.5 178.5 92.7 78.2 48.0 261 -1.8 272 -1.0 0 0.0 266 -0.7 9 32
265 A 303 VAL V B B E < TS- 271 0 -79.5 112.8 -176.5 -146.0 74.5 135.4 262 -1.5 267 -0.8 0 0.0 0 0.0 12 37
266 A 304 HIS H t > T - 0 0 -92.6 107.1 176.9 -38.9 63.0 138.8 270 -2.0 269 -1.8 264 -0.7 0 0.0 8 27
267 A 305 ARG R T T 3 TS- 0 0 49.8 36.8 -179.5 -71.1 105.5 37.8 265 -0.8 0 0.0 0 0.0 0 0.0 5 24
268 A 306 GLN Q T T 3 TS+ 0 0 66.5 -4.6 -177.0 80.1 126.6 70.7 0 0.0 235 -1.3 0 0.0 0 0.0 11 39
269 A 307 PHE F S e < TS+ 0 0 -116.7 11.6 -179.7 35.3 90.9 72.9 266 -1.8 232 -1.2 0 0.0 0 0.0 11 36
270 A 308 ALA A E E DL - 231 0 -162.6 149.4 177.5 -162.4 52.3 168.1 0 0.0 266 -2.0 0 0.0 0 0.0 12 41
271 A 309 ILE I E E DLE - 230 265 -136.6 127.4 175.4 -158.6 7.2 173.6 230 -2.7 230 -3.2 0 0.0 273 -0.6 11 49
272 A 310 VAL V E E DL + 229 0 -105.3 109.3 -177.3 155.5 36.1 164.2 264 -1.0 0 0.0 0 0.0 0 0.0 11 42
273 A 311 PHE F E E DL - 228 0 -129.8 176.6 179.7 -116.8 40.6 144.0 228 -2.4 228 -3.8 271 -0.6 0 0.0 12 46
274 A 312 LYS K E E DLD - 227 259 -122.2 129.3 179.9 -109.4 35.1 165.7 259 -2.2 259 -3.0 0 0.0 0 0.0 12 41
275 A 313 THR T e - 0 0 -54.7 149.8 179.8 -126.2 32.2 93.4 226 -2.4 0 0.0 0 0.0 0 0.0 14 49
276 A 314 PRO P - 0 0 -90.8 171.2 177.7 -79.6 36.5 116.1 0 0.0 0 0.0 0 0.0 0 0.0 11 44
277 A 315 LYS K t > T - 0 0 -76.4 127.9 179.3 -127.6 46.7 124.9 0 0.0 280 -0.6 0 0.0 0 0.0 11 43
278 A 316 TYR Y T T 3 TS- 0 0 -67.3 166.2 -178.6 -17.3 77.3 103.5 223 -0.7 0 0.0 0 0.0 0 0.0 11 43
279 A 317 LYS K T T 3 TS- 0 0 -6.7 63.6 179.5 -76.4 112.3 65.4 0 0.0 281 -2.8 0 0.0 0 0.0 6 39
280 A 318 ASP D S t < TS- 0 0 66.5 -62.6 -178.7 -11.7 112.5 109.8 277 -0.6 0 0.0 0 0.0 0 0.0 6 28
281 A 319 VAL V S S S- 0 0 -124.7 -79.1 177.6 -178.2 88.8 57.8 279 -2.8 0 0.0 0 0.0 0 0.0 8 25
282 A 320 ASN N - 0 0 79.7 155.0 -177.0 -178.9 36.6 70.5 0 0.0 0 0.0 0 0.0 0 0.0 9 25
283 A 321 ILE I + 0 0 -145.1 -46.0 178.1 125.0 47.0 69.1 0 0.0 0 0.0 0 0.0 0 0.0 7 21
284 A 322 THR T - 0 0 13.5 -143.3 177.6 -87.0 66.5 56.5 0 0.0 0 0.0 0 0.0 0 0.0 7 22
285 A 323 LYS K S S S- 0 0 -139.6 177.6 -179.7 -41.3 80.6 135.7 0 0.0 287 -0.9 0 0.0 0 0.0 6 21
286 A 324 PRO P S S S- 0 0 -58.2 99.1 -179.4 -157.6 70.8 111.1 0 0.0 288 -0.6 0 0.0 0 0.0 8 25
287 A 325 ALA A E E E O - 0 309 -84.4 114.7 179.3 -142.8 3.5 135.4 285 -0.9 309 -2.2 309 -0.8 0 0.0 8 37
288 A 326 SER S E E E O + 0 308 -81.2 137.0 180.0 152.0 32.0 125.4 286 -0.6 0 0.0 0 0.0 0 0.0 9 35
289 A 327 VAL V E E E O - 0 307 -141.9 -171.9 175.9 -105.3 36.8 131.9 307 -1.5 307 -1.4 0 0.0 0 0.0 12 46
290 A 328 PHE F E E EMO - 245 306 -127.3 156.9 177.4 -149.7 15.8 158.1 245 -2.8 245 -2.6 0 0.0 0 0.0 12 46
291 A 329 VAL V E E EMO + 244 305 -121.0 145.9 179.0 161.3 25.1 159.2 305 -3.4 305 -2.7 0 0.0 0 0.0 12 57
292 A 330 GLN Q E E EM - 243 0 -161.7 155.4 175.7 -118.2 37.3 170.8 243 -1.1 243 -3.7 0 0.0 0 0.0 13 53
293 A 331 LEU L E E EM - 242 0 -93.6 143.0 178.0 -177.7 34.7 138.8 0 0.0 302 -2.8 0 0.0 0 0.0 14 60
294 A 332 ARG R E E EMF - 241 301 -147.3 138.9 -178.4 -126.7 25.9 172.7 241 -2.3 241 -1.0 0 0.0 296 -0.5 13 46
295 A 333 ARG R E E >EM T - 240 0 -84.1 120.2 179.6 -153.0 10.7 137.4 300 -2.5 299 -2.1 0 0.0 0 0.0 11 43
296 A 334 LYS K T e 4 TS+ 0 0 -73.6 -3.0 179.0 62.8 91.0 56.8 239 -2.8 0 0.0 294 -0.5 0 0.0 9 28
297 A 335 SER S T T 4 TS+ 0 0 -83.3 -44.4 -178.5 2.8 128.9 26.2 0 0.0 0 0.0 0 0.0 0 0.0 5 24
298 A 336 ASP D T T 4 TS- 0 0 -126.7 12.0 -178.9 -123.7 90.0 77.4 0 0.0 0 0.0 0 0.0 0 0.0 5 28
299 A 337 LEU L t < T + 0 0 49.1 22.8 176.4 155.4 55.9 46.9 295 -2.1 0 0.0 0 0.0 0 0.0 7 29
300 A 338 GLU E - 0 0 -74.1 150.6 -172.4 -148.1 28.7 122.9 0 0.0 295 -2.5 0 0.0 0 0.0 7 35
301 A 339 THR T B B F - 294 0 -130.5 159.7 177.6 -122.9 11.6 141.0 0 0.0 0 0.0 0 0.0 0 0.0 9 41
302 A 340 SER S - 0 0 -91.1 169.1 176.6 -82.0 48.5 118.6 293 -2.8 0 0.0 0 0.0 0 0.0 11 43
303 A 341 GLU E - 0 0 -64.7 146.1 180.0 -100.3 62.0 112.4 210 -0.6 0 0.0 0 0.0 0 0.0 9 33
304 A 342 PRO P - 0 0 -74.2 154.3 178.1 -156.4 26.4 112.3 0 0.0 0 0.0 0 0.0 0 0.0 8 38
305 A 343 LYS K E E E O - 0 291 -126.2 124.1 179.9 -120.0 27.2 175.4 291 -2.7 291 -3.4 0 0.0 0 0.0 8 38
306 A 344 PRO P E E E O - 0 290 -73.3 128.7 178.0 -172.4 31.4 126.1 0 0.0 0 0.0 0 0.0 0 0.0 9 37
307 A 345 PHE F E E E O - 0 289 -109.0 168.7 179.1 -149.9 9.0 133.5 289 -1.4 289 -1.5 0 0.0 0 0.0 11 52
308 A 346 LEU L E E E O - 0 288 -147.8 114.9 178.2 -157.8 2.0 156.7 0 0.0 220 -1.6 0 0.0 0 0.0 12 44
309 A 347 TYR Y E E EkO - 220 287 -90.3 143.3 179.1 -165.8 11.1 135.3 287 -2.2 287 -0.8 0 0.0 0 0.0 13 43
310 A 348 TYR Y E E Ek - 221 0 -131.0 140.9 -179.9 -106.3 24.2 168.6 220 -1.8 222 -2.0 0 0.0 0 0.0 12 32
311 A 349 PRO P 0 0 -58.0 166.1 -179.4 999.9 999.9 92.9 0 0.0 0 0.0 0 0.0 0 0.0 10 25
312 A 350 GLU E 0 0 -80.4 999.9 999.9 999.9 999.9 92.0 0 0.0 0 0.0 0 0.0 0 0.0 5 23
1nfkA.pdb
1NFK COMPLEX (TRANSCRIPTION FACTOR/DNA) MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEESS B SSS B GGG SS BTT TTS EEEEET SS EEEEEEE SSSS B SSEEESTTEETTEEEEE SS EEE S E Kabs/Sand
chirality +-+-++----+++-----++----------+++-+----------+----+----+-+--+-+-+---+---+-+++--+--+----++-+---+++-- chirality
bends SS SSS SSS SS SS SSS SS SS SSSS SS SSS SS SS S bends
turns TTTTT TTTTTTTT TTTT TTTTTTTT turns
5-turns 5-turns
3-turns >>3<< >33<>33< >33< >33<>33< 3-turns
bridge-2 BBB DDDD C FF bridge-2
bridge-1 AAAA A b A AAAA CCCCCCC C EEE FF DDDD BBB E bridge-1
sheets AAAA AAAAA BBBBBBB CCC BB BBBBB AAA C sheets
4-turns >444< 4-turns
summary EEEEeS B SSS BgGGGg SS BTTttTTt eEEEEETt SSeEEEEEEE SSSS B SSEEEtTeEETTEEEEEe SS eEEEe S E summary
sequence GPYLQILEQPKQRGFRFRYVCEGPSHGGLPGASSEKNKKSYPQVKICNYVGPAKVIVQLVTNGKNIHLHAHSLVGKHCEDGVCTVTAGPKDMVVGFANLG sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EE STTHHHHHHHHHHHHHHTTS IIIII TT S SSSS HHHHHHHHHHHHHHHHT TTEEEEEEEEEEE SSS EEEE EE EE Kabs/Sand
chirality -----+++++++++++++++++-+-+++++--++--+-+--+++++---+++++++++++++++++--+++-------------+-++------------ chirality
bends SSSSSSSSSSSSSSSSSS S SSSSS SS S SSSS SSSSSSSSSSSSSSSSS SS SSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555<>>555<< 5-turns
3-turns >33< >33< >33< >3><3<>33< 3-turns
bridge-2 b HH III bridge-2
bridge-1 EE GGCCCCCCC I*II HH GG bridge-1
sheets CC BBBBBBBBBBB BBBB BB BB sheets
4-turns >>>>XXXXXXXX<<<< >444< >>>>XXXXXXXXXX<<<< 4-turns
summary EE tThHHHHHHHHHHHHHHhTtiIIIIIiTTtS SSSS hHHHHHHHHHHHHHHHHhttTeEEEEEEEEEEEeSSSeEEEEe EEe EE summary
sequence ILHVTKKKVFETLEARMTEACIRGYNPGLLVHSDLAYLQAEGGGDRQLTDREKEIIRQAAVQQTKEMDLSVVRLMFTAFLPDSTGSFTRRLEPVVSDAIY sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand TTSTTS EEEES S EESS EEEEEES TTTEEEEEEE SS EEEE B GGGB TTSEEEEE TTSS SSEEEEEEEEETTT Kabs/Sand
chirality -++-+++--+-+---++++--+-++-----+--+--++++---+--+-+----++---+--+++---++--+----------+----+--+----++-+- chirality
bends SSSSSS S S SS S SSS SS SSSS SSS SSSS SS SSS bends
turns TTTTTTT TTTTT TTTTTTTTT TTTT TTTTT turns
5-turns 5-turns
3-turns >33X33< >33< >>3<<>33< >33< 3-turns
bridge-2 LLLLL NNNN E D OOOOO F bridge-2
bridge-1 J*JJ kk JJJ MMMMMM NNNN D E LLLLL MMMMMM bridge-1
sheets DDDD EE DDDDDD EEEEEEE EEEE DDDDD EEEEEEEEE sheets
4-turns >444< >444< 4-turns
summary eTTtTTt eEEEEe S EEeS eEEEEEEe tTTeEEEEEEE SS EEEEeB gGGGBtTTeEEEEEe tTTtS SSEEEEEEEEEeTTt summary
sequence DSKAPNASNLKIVRMDRTAGCVTGGEEIYLLCDKVQKDDIQIRFYEEEENGGVWEGFGDFSPTDVHRQFAIVFKTPKYKDVNITKPASVFVQLRRKSDLE sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand B EEEEEE Kabs/Sand
chirality ---------- chirality
bends bends
turns turns
5-turns 5-turns
3-turns 3-turns
bridge-2 OOOOO bridge-2
bridge-1 F kk bridge-1
sheets EEEEEE sheets
4-turns 4-turns
summary B EEEEEE summary
sequence TSEPKPFLYYPE sequence
310