Secondary structure calculation program - copyright by David Keith Smith, 1989
1cf1A.pdb
1CF1 STRUCTURAL PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 373
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 10 HIS H e 0 0 999.9 105.5 -178.6 999.9 999.9 999.9 0 0.0 356 -2.4 0 0.0 0 0.0 5 21
2 A 11 VAL V E E Aa - 356 0 -75.8 146.4 178.5 -176.3 999.9 113.5 0 0.0 0 0.0 0 0.0 0 0.0 8 26
3 A 12 ILE I E E Aa - 357 0 -141.6 134.3 -177.9 -137.5 16.7 174.2 356 -1.3 358 -2.4 0 0.0 0 0.0 12 40
4 A 13 PHE F E E AaB + 358 17 -100.6 144.2 -179.6 175.9 22.7 138.0 17 -2.3 17 -3.0 0 0.0 0 0.0 13 44
5 A 14 LYS K E E AaB - 359 16 -141.9 158.3 177.4 -168.1 16.3 163.3 358 -2.2 360 -1.6 0 0.0 0 0.0 12 49
6 A 15 LYS K E E A B - 0 15 -146.4 133.8 -177.4 -138.4 21.3 167.3 15 -1.4 15 -2.4 0 0.0 0 0.0 12 44
7 A 16 ILE I E E A B - 0 14 -102.7 141.9 178.5 -110.8 19.9 140.3 0 0.0 0 0.0 0 0.0 0 0.0 9 42
8 A 17 SER S e - 0 0 -56.4 164.2 179.9 -115.3 30.4 94.8 13 -3.6 0 0.0 0 0.0 0 0.0 12 41
9 A 18 ARG R S S S+ 0 0 -70.3 -49.4 -179.7 41.9 117.5 16.2 158 -0.8 0 0.0 0 0.0 0 0.0 9 28
10 A 19 ASP D S S S- 0 0 -78.8 6.5 178.4 -119.9 112.7 70.2 158 -2.7 0 0.0 0 0.0 0 0.0 7 30
11 A 20 LYS K S S S+ 0 0 67.7 9.9 -179.2 114.9 84.2 54.7 0 0.0 0 0.0 0 0.0 0 0.0 10 32
12 A 21 SER S S e S+ 0 0 -83.8 -20.4 -179.3 36.2 74.9 43.8 0 0.0 39 -1.6 0 0.0 0 0.0 12 47
13 A 22 VAL V E E A C - 0 38 -136.9 138.3 179.2 -178.1 59.7 174.5 0 0.0 8 -3.6 0 0.0 0 0.0 17 57
14 A 23 THR T E E ABC - 7 37 -136.7 126.2 -179.8 -149.1 14.7 172.1 37 -0.6 37 -3.3 0 0.0 0 0.0 14 59
15 A 24 ILE I E E ABC - 6 36 -100.1 142.0 178.8 -165.5 6.7 140.6 6 -2.4 6 -1.4 0 0.0 0 0.0 13 64
16 A 25 TYR Y E E ABC - 5 35 -126.2 122.3 -179.5 -178.0 10.0 172.1 35 -2.3 35 -1.7 0 0.0 0 0.0 12 65
17 A 26 LEU L E E ABC - 4 34 -123.6 143.3 -179.6 -142.3 27.5 160.8 4 -3.0 4 -2.3 0 0.0 0 0.0 12 63
18 A 27 GLY G S e S+ 0 0 -71.6 -31.7 -178.9 10.6 83.6 35.2 33 -1.0 0 0.0 0 0.0 0 0.0 9 51
19 A 28 LYS K - 0 0 -144.4 163.1 177.0 -141.3 52.9 161.8 0 0.0 0 0.0 0 0.0 0 0.0 7 46
20 A 29 ARG R S e S+ 0 0 -93.0 -28.5 -178.5 44.5 94.6 43.2 0 0.0 166 -1.7 0 0.0 0 0.0 9 51
21 A 30 ASP D E E Bd S- 166 0 -123.4 134.1 -179.6 -151.0 71.7 164.2 0 0.0 0 0.0 0 0.0 0 0.0 8 52
22 A 31 TYR Y E E Bd - 167 0 -109.3 128.9 -178.1 -123.3 20.0 152.2 166 -3.2 168 -1.4 0 0.0 0 0.0 13 56
23 A 32 ILE I E E Bd - 168 0 -71.7 143.2 178.4 -171.1 19.4 110.8 0 0.0 30 -2.4 0 0.0 0 0.0 11 45
24 A 33 ASP D E E BdE + 169 29 -134.0 97.5 173.9 176.3 6.4 155.5 168 -1.4 170 -2.7 0 0.0 0 0.0 13 50
25 A 34 HIS H E E B E> T - 0 28 -91.4 154.6 -174.3 -99.4 54.4 138.7 28 -1.4 28 -0.8 0 0.0 0 0.0 13 45
26 A 35 VAL V T T 3 TS+ 0 0 -52.1 -27.3 -178.3 54.1 119.5 38.2 0 0.0 0 0.0 0 0.0 0 0.0 10 42
27 A 36 GLU E T T 3 TS- 0 0 -76.8 -36.0 -179.6 -6.5 119.9 29.7 0 0.0 0 0.0 0 0.0 0 0.0 6 34
28 A 37 ARG R E E BE < T - 25 0 -151.1 173.0 179.3 -126.7 58.5 159.3 25 -0.8 25 -1.4 0 0.0 0 0.0 7 34
29 A 38 VAL V E E BE - 24 0 -132.2 126.6 178.7 -109.8 32.7 170.1 0 0.0 0 0.0 0 0.0 0 0.0 13 43
30 A 39 GLU E e - 0 0 -48.0 124.2 179.8 -128.5 41.8 104.2 23 -2.4 0 0.0 0 0.0 0 0.0 9 44
31 A 40 PRO P - 0 0 -74.3 165.5 178.5 -108.6 19.6 108.9 0 0.0 33 -0.8 0 0.0 0 0.0 9 52
32 A 41 VAL V E E A F + 0 111 -97.0 111.1 179.9 176.1 44.6 148.5 111 -3.4 111 -2.6 0 0.0 0 0.0 9 59
33 A 42 ASP D E E A F + 0 110 -117.8 136.8 -179.7 121.9 15.8 161.3 31 -0.8 18 -1.0 0 0.0 0 0.0 12 57
34 A 43 GLY G E E ACF - 17 109 -166.7 -168.8 180.0 -104.0 46.2 156.3 109 -2.1 109 -2.2 0 0.0 0 0.0 12 69
35 A 44 VAL V E E ACF - 16 108 -138.5 151.7 178.9 -140.5 15.3 165.9 16 -1.7 16 -2.3 0 0.0 0 0.0 14 69
36 A 45 VAL V E E ACF - 15 107 -112.0 134.8 178.9 -147.9 12.1 158.4 107 -2.6 107 -2.2 0 0.0 38 -0.8 14 71
37 A 46 LEU L E E ACF - 14 106 -107.8 101.7 -178.7 -167.2 20.6 151.4 14 -3.3 14 -0.6 0 0.0 0 0.0 11 58
38 A 47 VAL V E E AC - 13 0 -89.3 149.0 177.9 -129.1 22.8 125.0 105 -1.8 0 0.0 36 -0.8 0 0.0 10 53
39 A 48 ASP D e > T - 0 0 -96.6 102.5 -179.4 -147.1 17.6 150.0 12 -1.6 43 -1.7 0 0.0 0 0.0 10 39
40 A 49 PRO P T T 4 TS+ 0 0 -38.3 -38.9 -179.5 47.8 95.3 37.3 0 0.0 0 0.0 0 0.0 0 0.0 7 32
41 A 50 GLU E T T 4 TS+ 0 0 -68.8 -65.4 -178.6 42.9 111.5 7.6 0 0.0 0 0.0 0 0.0 0 0.0 5 25
42 A 51 LEU L T T 4 TS+ 0 0 -60.2 -12.6 -179.0 56.4 114.5 53.6 0 0.0 0 0.0 0 0.0 0 0.0 7 32
43 A 52 VAL V t < T + 0 0 -123.8 71.2 -179.9 140.8 69.9 126.1 39 -1.7 0 0.0 0 0.0 0 0.0 11 42
44 A 53 LYS K S S S- 0 0 -116.8 130.1 -179.9 -1.2 76.1 161.3 0 0.0 0 0.0 0 0.0 0 0.0 7 28
45 A 54 GLY G S S S+ 0 0 83.4 -23.3 179.5 103.5 112.5 82.5 0 0.0 0 0.0 0 0.0 0 0.0 6 25
46 A 55 LYS K - 0 0 -92.9 153.1 -179.7 -137.7 65.8 128.4 0 0.0 0 0.0 0 0.0 0 0.0 9 36
47 A 56 ARG R E E BG - 145 0 -108.0 150.8 179.6 -140.2 10.6 142.1 145 -2.3 145 -3.0 0 0.0 0 0.0 12 48
48 A 57 VAL V E E BGH - 144 82 -118.9 124.5 -180.0 -179.2 20.9 162.8 82 -2.4 81 -1.9 0 0.0 82 -1.8 12 63
49 A 58 TYR Y E E BGH - 143 80 -113.6 169.8 177.7 -147.7 17.0 132.5 143 -2.5 143 -2.5 0 0.0 0 0.0 13 61
50 A 59 VAL V E E BGH - 142 79 -140.0 123.7 -178.7 -165.9 17.9 169.2 79 -2.1 79 -2.3 0 0.0 0 0.0 13 63
51 A 60 SER S E E BGH - 141 78 -114.7 154.7 177.0 -153.4 14.7 144.2 141 -3.0 141 -2.4 0 0.0 0 0.0 13 53
52 A 61 LEU L E E BGH + 140 77 -123.2 119.9 -179.3 179.5 22.7 173.6 77 -2.9 77 -1.7 0 0.0 0 0.0 13 54
53 A 62 THR T E E BGH - 139 76 -127.8 139.6 177.3 -169.1 15.9 166.8 139 -2.5 139 -2.9 0 0.0 0 0.0 13 45
54 A 63 CYS C E E BGH + 138 75 -125.7 117.8 -179.3 166.8 21.9 168.5 75 -2.8 74 -3.0 0 0.0 75 -1.4 12 53
55 A 64 ALA A E E BGH - 137 73 -137.5 151.3 177.8 -136.5 33.2 166.0 137 -1.8 137 -2.7 0 0.0 0 0.0 12 48
56 A 65 PHE F E E BGH - 136 72 -98.4 138.8 179.9 -169.3 28.5 147.0 72 -2.5 72 -2.4 0 0.0 0 0.0 14 53
57 A 66 ARG R E E BGH - 135 71 -132.7 146.3 179.0 -172.7 9.7 166.9 135 -2.2 135 -1.9 0 0.0 0 0.0 12 48
58 A 67 TYR Y E E BGH + 134 70 -139.4 135.7 179.2 61.3 40.0 178.5 70 -2.4 70 -2.3 0 0.0 0 0.0 12 45
59 A 68 GLY G e - 0 0 127.5 147.2 179.3 -134.9 49.5 106.3 133 -2.8 0 0.0 0 0.0 0 0.0 10 42
60 A 69 GLN Q - 0 0 -123.9 176.9 177.5 -118.6 21.5 135.4 0 0.0 62 -0.6 0 0.0 68 -0.5 10 36
61 A 70 GLU E + 0 0 -119.6 93.7 177.6 160.1 43.5 155.6 0 0.0 63 -0.5 0 0.0 0 0.0 5 22
62 A 71 ASP D t > T - 0 0 -121.8 115.7 -178.3 -111.8 42.8 167.5 60 -0.6 65 -0.7 0 0.0 0 0.0 6 23
63 A 72 ILE I T T 3 TS+ 0 0 -46.9 138.9 179.1 18.5 93.1 92.7 61 -0.5 0 0.0 0 0.0 0 0.0 4 13
64 A 73 ASP D T T 3 TS+ 0 0 69.8 28.6 178.3 103.2 99.1 43.0 0 0.0 0 0.0 0 0.0 0 0.0 4 8
65 A 74 VAL V S t < TS- 0 0 -138.4 130.8 179.8 -91.4 87.0 175.7 62 -0.7 0 0.0 0 0.0 0 0.0 5 13
66 A 75 MET M - 0 0 -42.5 125.6 179.0 -109.3 51.4 98.6 0 0.0 0 0.0 0 0.0 0 0.0 4 13
67 A 76 GLY G - 0 0 -63.3 128.1 -179.5 -178.3 43.5 114.8 0 0.0 0 0.0 0 0.0 0 0.0 7 16
68 A 77 LEU L + 0 0 -134.3 127.5 179.3 159.9 7.7 172.5 60 -0.5 0 0.0 0 0.0 0 0.0 6 21
69 A 78 SER S - 0 0 -149.3 148.7 -179.2 -169.4 16.3 179.1 0 0.0 0 0.0 0 0.0 0 0.0 8 26
70 A 79 PHE F E E BH - 58 0 -139.4 134.2 178.7 -175.9 4.2 177.5 58 -2.3 58 -2.4 0 0.0 0 0.0 8 31
71 A 80 ARG R E E BH - 57 0 -132.5 138.1 -179.6 -177.7 3.5 173.7 0 0.0 0 0.0 0 0.0 0 0.0 8 36
72 A 81 ARG R E E BH - 56 0 -138.1 107.6 -179.8 -141.7 21.2 158.4 56 -2.4 56 -2.5 0 0.0 0 0.0 7 33
73 A 82 ASP D E E BH - 55 0 -72.9 121.3 -179.1 -177.2 17.2 126.8 0 0.0 0 0.0 0 0.0 0 0.0 9 36
74 A 83 LEU L E E B* + 0 0 -93.7 -15.4 179.8 1.1 69.0 53.9 54 -3.0 0 0.0 0 0.0 0 0.0 10 43
75 A 84 TYR Y E E BH - 54 0 -172.6 140.8 178.8 -176.0 58.8 152.4 54 -1.4 54 -2.8 0 0.0 0 0.0 9 35
76 A 85 PHE F E E BH + 53 0 -144.6 138.7 180.0 169.5 6.8 174.6 0 0.0 0 0.0 0 0.0 0 0.0 9 35
77 A 86 SER S E E BH - 52 0 -152.7 131.3 -178.4 -169.3 8.8 164.7 52 -1.7 52 -2.9 0 0.0 0 0.0 8 34
78 A 87 GLN Q E E BH - 51 0 -126.9 140.7 179.8 -176.3 2.9 163.9 0 0.0 0 0.0 0 0.0 0 0.0 9 45
79 A 88 VAL V E E BH - 50 0 -138.5 132.6 178.8 -126.9 26.3 175.2 50 -2.3 50 -2.1 0 0.0 81 -0.6 12 42
80 A 89 GLN Q E E BH + 49 0 -79.8 119.9 -179.2 175.3 26.1 132.8 0 0.0 0 0.0 0 0.0 0 0.0 13 46
81 A 90 VAL V E E B* + 0 0 -96.9 -15.9 -178.6 80.1 54.1 53.1 48 -1.9 0 0.0 79 -0.6 0 0.0 15 55
82 A 91 PHE F E E BH S+ 48 0 -157.0 138.3 -0.6 29.5 81.3 167.1 48 -1.8 48 -2.4 0 0.0 0 0.0 9 50
83 A 92 PRO P S S S- 0 0 -69.8 147.2 -179.9 -95.9 111.7 59.9 0 0.0 0 0.0 0 0.0 0 0.0 7 39
84 A 93 PRO P + 0 0 -35.8 126.3 178.0 152.4 60.8 86.3 0 0.0 0 0.0 0 0.0 0 0.0 7 35
85 A 94 VAL V - 0 0 -153.3 149.6 -179.2 -100.7 59.7 159.3 0 0.0 87 -2.4 0 0.0 0 0.0 8 25
86 A 95 GLY G S S S+ 0 0 -73.4 48.3 -179.2 125.5 79.9 98.1 0 0.0 0 0.0 0 0.0 0 0.0 5 24
87 A 96 ALA A S S S+ 0 0 -84.6 -1.9 179.7 44.7 74.5 62.0 85 -2.4 0 0.0 0 0.0 0 0.0 8 31
88 A 97 SER S S S S- 0 0 -116.0 -10.7 178.7 -147.5 98.1 58.6 0 0.0 0 0.0 0 0.0 0 0.0 12 39
89 A 98 GLY G + 0 0 84.4 -145.6 178.6 6.7 55.7 122.5 0 0.0 0 0.0 0 0.0 0 0.0 6 28
90 A 99 ALA A S S S- 0 0 -62.5 174.9 -179.9 -107.1 86.0 96.0 0 0.0 0 0.0 0 0.0 0 0.0 4 26
91 A 100 THR T - 0 0 -110.7 152.2 179.1 -119.7 21.2 142.9 0 0.0 0 0.0 0 0.0 0 0.0 9 31
92 A 101 THR T h > > T - 0 0 -86.8 138.1 179.6 -126.3 20.9 136.6 0 0.0 96 -2.9 0 0.0 95 -0.5 7 32
93 A 102 ARG R H H > 3 TS+ 0 0 -58.4 -8.1 177.1 55.0 119.0 48.3 0 0.0 97 -1.1 0 0.0 0 0.0 6 28
94 A 103 LEU L H H > 3 TS+ 0 0 -86.8 -42.5 179.5 46.5 107.1 32.4 0 0.0 98 -2.1 0 0.0 0 0.0 7 38
95 A 104 GLN Q H H > < TS+ 0 0 -63.6 -48.8 179.7 47.3 114.6 18.7 92 -0.5 99 -3.6 0 0.0 0 0.0 12 45
96 A 105 GLU E H H X TS+ 0 0 -55.4 -57.1 179.7 50.1 111.7 14.3 92 -2.9 100 -2.2 0 0.0 0 0.0 9 33
97 A 106 SER S H H X TS+ 0 0 -49.1 -41.9 -180.0 44.8 115.8 29.1 93 -1.1 101 -1.8 0 0.0 0 0.0 8 34
98 A 107 LEU L H H X TS+ 0 0 -69.9 -50.7 180.0 57.1 105.7 20.0 94 -2.1 102 -1.6 0 0.0 0 0.0 9 40
99 A 108 ILE I H H X TS+ 0 0 -49.5 -39.6 178.8 45.5 112.4 30.4 95 -3.6 103 -2.5 0 0.0 0 0.0 13 39
100 A 109 LYS K H H < TS+ 0 0 -66.2 -72.6 -180.0 46.2 112.1 4.0 96 -2.2 0 0.0 0 0.0 0 0.0 8 24
101 A 110 LYS K H H < TS+ 0 0 -45.3 -15.6 -178.4 43.3 122.3 50.4 97 -1.8 0 0.0 0 0.0 0 0.0 6 28
102 A 111 LEU L H H < TS- 0 0 -101.4 -53.7 -179.3 -105.6 106.1 27.4 98 -1.6 0 0.0 0 0.0 0 0.0 8 35
103 A 112 GLY G h < T - 0 0 151.9 -170.9 -179.4 -65.1 38.8 161.2 99 -2.5 0 0.0 0 0.0 0 0.0 7 24
104 A 113 ALA A S S S+ 0 0 -97.0 10.3 178.6 66.8 120.3 74.7 0 0.0 0 0.0 0 0.0 0 0.0 7 26
105 A 114 ASN N S e S+ 0 0 -116.9 31.0 179.9 104.8 78.6 97.4 0 0.0 38 -1.8 0 0.0 107 -0.5 9 39
106 A 115 THR T E E AF + 37 0 -116.6 117.0 -179.7 179.0 48.0 165.7 0 0.0 0 0.0 0 0.0 0 0.0 11 48
107 A 116 TYR Y E E AF - 36 0 -122.5 144.5 -179.4 -122.1 22.0 159.5 36 -2.2 36 -2.6 105 -0.5 0 0.0 12 54
108 A 117 PRO P E E AF - 35 0 -85.7 154.9 177.7 -179.7 24.2 118.4 0 0.0 0 0.0 0 0.0 0 0.0 13 58
109 A 118 PHE F E E AF - 34 0 -147.4 151.1 179.6 -165.8 6.8 167.1 34 -2.2 34 -2.1 0 0.0 0 0.0 14 56
110 A 119 LEU L E E AF - 33 0 -147.9 115.5 178.6 -176.9 4.2 154.3 0 0.0 0 0.0 0 0.0 0 0.0 11 54
111 A 120 LEU L E E AF - 32 0 -111.9 138.1 179.7 -156.3 12.2 156.6 32 -2.6 32 -3.4 0 0.0 0 0.0 13 54
112 A 121 THR T - 0 0 -114.7 155.2 179.8 -124.8 12.7 145.5 0 0.0 0 0.0 0 0.0 0 0.0 8 47
113 A 122 PHE F - 0 0 -97.8 137.7 179.0 -132.7 19.2 141.0 0 0.0 0 0.0 0 0.0 0 0.0 8 47
114 A 123 PRO P - 0 0 -74.1 -179.5 179.7 -118.0 23.5 100.9 0 0.0 0 0.0 0 0.0 0 0.0 6 39
115 A 124 ASP D S S S+ 0 0 -103.0 3.9 -179.4 74.4 100.9 65.3 0 0.0 0 0.0 0 0.0 0 0.0 7 40
116 A 125 TYR Y S S S+ 0 0 -101.3 22.9 -178.5 105.1 76.3 84.2 0 0.0 0 0.0 0 0.0 0 0.0 7 41
117 A 126 LEU L - 0 0 -107.8 147.5 179.5 -127.8 65.5 141.5 0 0.0 0 0.0 0 0.0 0 0.0 10 57
118 A 127 PRO P - 0 0 -79.2 176.8 177.8 -111.1 29.9 102.0 0 0.0 0 0.0 0 0.0 0 0.0 11 69
119 A 128 CYS C - 0 0 -99.3 -179.9 -179.9 -59.7 55.9 117.9 0 0.0 0 0.0 0 0.0 0 0.0 12 70
120 A 129 SER S + 0 0 -64.9 127.7 179.0 151.7 69.9 115.4 167 -2.9 0 0.0 0 0.0 0 0.0 15 67
121 A 130 VAL V E E BI + 136 0 -158.3 132.7 -179.1 147.9 5.8 159.3 136 -0.6 136 -2.6 0 0.0 0 0.0 14 72
122 A 131 MET M E E BIA - 135 286 -158.8 166.9 -179.1 -173.7 14.6 165.7 286 -2.4 286 -3.2 0 0.0 0 0.0 15 70
123 A 132 LEU L E E BI - 134 0 -161.7 169.0 177.9 -141.2 18.9 169.5 134 -2.6 134 -1.7 0 0.0 0 0.0 13 66
124 A 133 GLN Q - 0 0 -137.4 130.7 -179.5 -110.3 37.1 174.9 0 0.0 283 -2.9 0 0.0 0 0.0 12 55
125 A 134 PRO P - 0 0 -63.6 150.0 177.7 -130.4 27.4 104.6 0 0.0 0 0.0 0 0.0 0 0.0 13 46
126 A 135 ALA A t > T - 0 0 -89.3 171.2 -179.7 -79.6 43.8 116.2 0 0.0 129 -2.4 0 0.0 0 0.0 7 38
127 A 136 PRO P T T 3 TS+ 0 0 -40.7 -46.0 -178.9 35.1 130.3 35.5 0 0.0 0 0.0 0 0.0 0 0.0 4 23
128 A 137 GLN Q T T 3 TS+ 0 0 -103.2 24.8 178.1 109.9 90.4 84.7 0 0.0 130 -0.5 0 0.0 0 0.0 5 22
129 A 138 ASP D t < T - 0 0 -99.2 128.6 -178.3 -154.3 55.9 150.9 126 -2.4 0 0.0 0 0.0 0 0.0 8 33
130 A 139 VAL V + 0 0 -72.2 -33.1 -179.8 85.2 65.8 34.6 128 -0.5 0 0.0 0 0.0 0 0.0 6 29
131 A 140 GLY G S S S- 0 0 -64.3 173.3 178.6 -120.0 74.7 89.6 0 0.0 0 0.0 0 0.0 0 0.0 8 41
132 A 141 LYS K - 0 0 -110.5 166.7 178.6 -76.4 39.9 134.3 0 0.0 0 0.0 0 0.0 0 0.0 9 49
133 A 142 SER S e + 0 0 -58.9 149.6 177.9 152.5 61.5 104.0 0 0.0 59 -2.8 0 0.0 0 0.0 11 56
134 A 143 CYS C E E BGI + 58 123 -167.6 170.5 179.3 148.3 8.3 168.1 123 -1.7 123 -2.6 0 0.0 0 0.0 12 62
135 A 144 GLY G E E BGI - 57 122 170.5 176.0 179.0 -87.0 44.2 166.8 57 -1.9 57 -2.2 0 0.0 137 -0.6 13 69
136 A 145 VAL V E E BGI - 56 121 -113.1 117.8 -179.3 -167.5 41.3 161.8 121 -2.6 121 -0.6 0 0.0 0 0.0 15 63
137 A 146 ASP D E E BG - 55 0 -106.1 151.6 177.2 -155.7 13.5 140.1 55 -2.7 55 -1.8 135 -0.6 0 0.0 14 56
138 A 147 PHE F E E BGJ - 54 165 -126.5 111.3 -178.2 -171.0 18.8 164.6 165 -0.5 165 -1.8 0 0.0 0 0.0 13 60
139 A 148 GLU E E E BGJ - 53 164 -113.8 128.8 176.2 -165.8 15.4 154.8 53 -2.9 53 -2.5 0 0.0 0 0.0 12 59
140 A 149 ILE I E E BGJ - 52 163 -102.8 133.8 -177.6 -179.9 20.8 153.5 163 -2.9 163 -2.6 0 0.0 0 0.0 12 63
141 A 150 LYS K E E BGJ - 51 162 -147.7 121.3 178.9 -167.0 19.3 158.9 51 -2.4 51 -3.0 0 0.0 0 0.0 11 62
142 A 151 ALA A E E BGJ + 50 161 -102.6 135.7 -179.0 171.4 22.5 149.5 161 -1.7 161 -3.3 0 0.0 0 0.0 15 64
143 A 152 PHE F E E BGJ - 49 160 -150.8 145.9 179.5 -133.9 29.5 177.6 49 -2.5 49 -2.5 0 0.0 0 0.0 14 59
144 A 153 ALA A E E BG - 48 0 -98.5 135.9 -179.2 -178.1 25.7 144.2 159 -2.1 0 0.0 0 0.0 0 0.0 15 55
145 A 154 THR T E E BG - 47 0 -141.8 122.8 178.5 -153.7 13.9 164.6 47 -3.0 47 -2.3 0 0.0 0 0.0 12 44
146 A 155 HIS H h > > T - 0 0 -84.1 167.0 -179.2 -105.6 37.2 114.2 0 0.0 150 -1.4 0 0.0 149 -1.1 9 34
147 A 156 SER S H H > 3 TS+ 0 0 -68.4 -15.6 179.2 61.4 119.8 48.3 0 0.0 151 -0.7 0 0.0 0 0.0 8 23
148 A 157 THR T H H > 3 TS+ 0 0 -80.8 -22.6 179.5 46.7 105.7 44.8 0 0.0 152 -2.0 0 0.0 0 0.0 6 18
149 A 158 ASP D H H 4 <>TS+ 0 0 -86.9 -30.7 178.9 56.4 106.7 41.5 146 -1.1 154 -2.3 0 0.0 0 0.0 11 24
150 A 159 VAL V H H < 5TS+ 0 0 -68.6 -27.9 179.7 44.7 113.4 37.2 146 -1.4 0 0.0 0 0.0 0 0.0 10 20
151 A 160 GLU E H H < 5TS+ 0 0 -75.6 -63.3 -179.0 41.3 116.2 13.6 147 -0.7 0 0.0 0 0.0 0 0.0 7 14
152 A 161 GLU E T h < 5TS- 0 0 -69.4 4.0 178.7 -123.3 110.6 69.9 148 -2.0 0 0.0 0 0.0 0 0.0 6 11
153 A 162 ASP D T T 5T + 0 0 51.7 50.8 179.0 122.7 67.9 27.7 0 0.0 0 0.0 0 0.0 0 0.0 6 14
154 A 163 LYS K t TS+ 0 0 -68.6 -43.3 -179.3 63.0 88.7 24.5 0 0.0 160 -1.9 0 0.0 0 0.0 6 32
158 A 167 LYS K T T 3 TS+ 0 0 -52.5 -31.7 -179.8 47.8 105.7 37.3 0 0.0 10 -2.7 0 0.0 9 -0.8 7 30
159 A 168 SER S T e 3 TS+ 0 0 -103.3 35.2 180.0 88.6 99.1 96.0 0 0.0 144 -2.1 0 0.0 0 0.0 13 42
160 A 169 SER S E E BJ < T - 143 0 -133.5 145.4 178.7 -155.9 56.0 167.6 157 -1.9 0 0.0 0 0.0 0 0.0 14 48
161 A 170 VAL V E E BJ - 142 0 -124.5 135.1 -178.2 -162.1 9.3 167.9 142 -3.3 142 -1.7 0 0.0 0 0.0 14 48
162 A 171 ARG R E E BJ - 141 0 -120.7 138.3 -179.9 -178.6 7.8 157.8 0 0.0 0 0.0 0 0.0 0 0.0 9 50
163 A 172 LEU L E E BJ - 140 0 -136.9 128.6 178.5 -149.9 17.1 172.0 140 -2.6 140 -2.9 0 0.0 165 -0.8 9 55
164 A 173 LEU L E E BJ - 139 0 -102.1 105.9 -178.9 -175.5 25.1 148.0 0 0.0 0 0.0 0 0.0 0 0.0 8 52
165 A 174 ILE I E E BJ - 138 0 -97.4 158.5 178.6 -122.9 20.1 126.5 138 -1.8 138 -0.5 163 -0.8 0 0.0 11 63
166 A 175 ARG R E E Bd - 21 0 -103.8 141.5 177.3 -153.6 6.2 145.1 20 -1.7 22 -3.2 0 0.0 168 -0.7 13 60
167 A 176 LYS K E E Bd - 22 0 -110.7 100.6 -177.9 -163.7 27.7 158.0 0 0.0 120 -2.9 0 0.0 0 0.0 11 67
168 A 177 VAL V E E Bd - 23 0 -93.4 148.5 -177.8 -120.4 16.6 130.3 22 -1.4 24 -1.4 166 -0.7 170 -0.6 13 59
169 A 178 GLN Q E E Bd + 24 0 -92.7 116.2 179.0 175.6 32.7 138.3 0 0.0 348 -2.7 0 0.0 0 0.0 12 60
170 A 179 HIS H B e b - 348 0 -113.6 154.3 179.5 -100.0 36.0 144.9 24 -2.7 0 0.0 168 -0.6 0 0.0 13 48
171 A 180 ALA A - 0 0 -71.7 152.8 179.9 -86.1 51.3 112.7 348 -2.0 0 0.0 0 0.0 0 0.0 11 45
172 A 181 PRO P - 0 0 -56.5 151.4 -179.4 -108.9 39.5 99.3 0 0.0 0 0.0 0 0.0 0 0.0 10 38
173 A 182 ARG R S S S+ 0 0 -49.6 -52.3 178.6 13.3 101.4 25.1 0 0.0 0 0.0 0 0.0 0 0.0 8 26
174 A 183 ASP D + 0 0 -136.9 127.5 -180.0 173.0 67.7 168.5 0 0.0 0 0.0 0 0.0 0 0.0 5 20
175 A 184 MET M - 0 0 -123.0 158.9 -180.0 -106.7 34.2 148.7 0 0.0 0 0.0 0 0.0 0 0.0 6 22
176 A 185 GLY G - 0 0 -72.3 -169.6 179.8 -54.2 62.4 85.5 0 0.0 0 0.0 0 0.0 0 0.0 4 13
177 A 186 PRO P - 0 0 -67.9 145.0 -179.7 -123.6 60.9 116.2 0 0.0 0 0.0 0 0.0 0 0.0 4 15
178 A 187 GLN Q - 0 0 -98.3 120.6 179.5 -143.0 17.3 145.2 0 0.0 0 0.0 0 0.0 0 0.0 7 22
179 A 188 PRO P - 0 0 -71.7 160.9 -179.8 -95.2 33.0 107.6 0 0.0 0 0.0 0 0.0 0 0.0 7 20
180 A 189 ARG R - 0 0 -81.3 142.7 178.7 -120.7 28.4 124.0 0 0.0 182 -1.5 0 0.0 0 0.0 9 28
181 A 190 ALA A E E CK + 200 0 -82.0 89.9 -177.8 163.2 54.7 133.4 200 -0.6 200 -1.2 0 0.0 0 0.0 12 35
182 A 191 GLU E E E CK + 199 0 -107.6 172.7 179.7 157.7 15.3 122.3 180 -1.5 0 0.0 0 0.0 0 0.0 9 35
183 A 192 ALA A E E CK - 198 0 172.1 146.5 180.0 -158.6 15.7 142.8 198 -0.5 198 -2.6 0 0.0 0 0.0 8 32
184 A 193 SER S E E CK - 197 0 -147.0 140.0 -178.8 -169.3 2.9 173.5 0 0.0 0 0.0 0 0.0 0 0.0 8 35
185 A 194 TRP W E E CK - 196 0 -124.1 155.0 179.1 -150.7 12.2 151.0 196 -3.0 196 -3.2 0 0.0 0 0.0 7 32
186 A 195 GLN Q E E CK - 195 0 -129.5 102.5 -179.6 -163.6 12.5 157.2 0 0.0 188 -0.7 0 0.0 0 0.0 8 33
187 A 196 PHE F E E CK - 194 0 -89.6 113.8 178.9 -151.2 9.7 142.8 194 -2.2 194 -2.0 0 0.0 0 0.0 8 37
188 A 197 PHE F E E CK + 193 0 -89.9 127.6 180.0 177.4 17.0 137.5 186 -0.7 0 0.0 0 0.0 0 0.0 8 30
189 A 198 MET M E E CK > TS- 192 0 -131.7 102.7 -179.3 -17.1 78.7 156.3 192 -2.2 192 -0.5 0 0.0 0 0.0 8 31
190 A 199 SER S T T 3 TS- 0 0 69.2 37.6 179.7 -58.4 126.4 29.6 0 0.0 0 0.0 0 0.0 0 0.0 4 22
191 A 200 ASP D T T 3 TS+ 0 0 66.3 18.6 178.1 113.9 115.5 49.7 0 0.0 0 0.0 0 0.0 0 0.0 5 16
192 A 201 LYS K E E CK < T - 189 0 -119.8 120.9 -179.6 -129.4 64.8 169.5 189 -0.5 189 -2.2 0 0.0 0 0.0 9 27
193 A 202 PRO P E E CK - 188 0 -76.6 140.0 175.7 -163.2 14.7 117.5 0 0.0 220 -1.6 0 0.0 195 -0.6 11 32
194 A 203 LEU L E E CKL - 187 219 -116.4 100.7 -179.1 -151.0 25.2 161.6 187 -2.0 187 -2.2 0 0.0 0 0.0 13 49
195 A 204 ARG R E E CKL - 186 218 -81.7 137.8 179.2 -173.4 15.0 125.7 218 -1.8 218 -1.8 193 -0.6 0 0.0 13 48
196 A 205 LEU L E E CKL + 185 217 -131.1 134.2 178.5 174.8 6.7 172.7 185 -3.2 185 -3.0 0 0.0 0 0.0 12 53
197 A 206 ALA A E E CKL - 184 216 -139.5 131.2 178.5 -176.1 4.0 174.8 216 -1.1 216 -3.1 0 0.0 0 0.0 11 44
198 A 207 VAL V E E CKL + 183 215 -129.0 135.8 -179.9 173.8 9.7 173.4 183 -2.6 183 -0.5 0 0.0 0 0.0 13 54
199 A 208 SER S E E CKL - 182 214 -143.9 154.4 179.2 -157.2 17.7 170.5 214 -1.9 214 -2.3 0 0.0 0 0.0 12 44
200 A 209 LEU L E E CK - 181 0 -124.9 153.4 179.8 -122.0 28.8 154.2 181 -1.2 181 -0.6 0 0.0 0 0.0 12 46
201 A 210 SER S S S S- 0 0 -61.5 -49.7 179.3 -0.2 91.5 19.5 0 0.0 0 0.0 0 0.0 0 0.0 8 34
202 A 211 LYS K - 0 0 -130.3 -177.4 -179.8 -121.6 64.5 135.6 0 0.0 0 0.0 0 0.0 0 0.0 9 36
203 A 212 GLU E S e S+ 0 0 -103.7 -13.2 -178.3 58.2 95.1 55.9 0 0.0 345 -3.3 0 0.0 205 -0.5 12 43
204 A 213 ILE I E E Dm - 345 0 -125.1 107.8 178.3 -179.9 63.4 157.7 0 0.0 0 0.0 0 0.0 0 0.0 8 50
205 A 214 TYR Y E E Dm - 346 0 -101.0 164.6 -178.5 -127.4 21.1 128.2 345 -2.6 347 -1.9 203 -0.5 0 0.0 11 52
206 A 215 TYR Y E E Dm > T - 347 0 -112.8 152.6 179.4 -86.9 34.7 144.3 0 0.0 209 -2.1 0 0.0 0 0.0 9 44
207 A 216 HIS H T e 3 TS+ 0 0 -55.5 127.6 179.8 14.7 118.9 110.4 347 -1.9 0 0.0 0 0.0 0 0.0 10 48
208 A 217 GLY G T T 3 TS+ 0 0 95.3 -28.4 -179.9 125.7 95.2 89.2 273 -0.6 0 0.0 0 0.0 0 0.0 7 32
209 A 218 GLU E t < T - 0 0 -68.7 127.4 179.7 -118.3 66.5 118.6 206 -2.1 0 0.0 0 0.0 0 0.0 7 37
210 A 219 PRO P - 0 0 -65.2 140.0 179.4 -139.6 22.5 114.2 0 0.0 0 0.0 0 0.0 0 0.0 8 38
211 A 220 ILE I E E C N - 0 271 -107.5 115.0 -179.9 -150.1 6.9 156.3 271 -3.3 271 -2.3 0 0.0 213 -1.1 9 49
212 A 221 PRO P E E C N - 0 270 -86.9 96.5 179.4 -169.2 15.5 135.2 0 0.0 214 -0.6 0 0.0 0 0.0 10 48
213 A 222 VAL V E E C N - 0 269 -88.9 123.6 179.9 -159.2 4.0 140.3 269 -2.7 269 -1.9 211 -1.1 215 -0.6 12 55
214 A 223 THR T E E CLN - 199 268 -109.7 123.2 -179.3 -168.0 5.5 155.4 199 -2.3 199 -1.9 212 -0.6 0 0.0 11 52
215 A 224 VAL V E E CLN - 198 267 -112.1 125.4 179.7 -174.3 3.7 158.2 267 -2.5 267 -2.4 213 -0.6 217 -0.5 12 57
216 A 225 ALA A E E CLN - 197 266 -123.0 108.0 179.8 -178.5 5.0 156.7 197 -3.1 197 -1.1 0 0.0 0 0.0 12 50
217 A 226 VAL V E E CLN - 196 265 -111.1 131.7 178.9 -169.6 14.2 153.7 265 -2.4 265 -1.5 215 -0.5 219 -0.6 12 55
218 A 227 THR T E E CLN - 195 264 -116.6 83.8 -177.9 -166.8 13.5 141.1 195 -1.8 195 -1.8 0 0.0 220 -1.2 11 39
219 A 228 ASN N E E CLN + 194 263 -77.1 90.4 178.4 157.8 25.6 125.5 263 -1.3 263 -1.4 217 -0.6 262 -0.8 15 44
220 A 229 SER S e + 0 0 -100.0 29.7 -179.6 106.7 50.1 91.5 193 -1.6 0 0.0 218 -1.2 0 0.0 11 31
221 A 230 THR T S S S- 0 0 -99.8 173.8 -179.8 -120.0 81.5 116.5 0 0.0 262 -0.9 0 0.0 0 0.0 11 37
222 A 231 GLU E S S S+ 0 0 -93.3 -8.3 179.1 77.9 90.2 58.9 0 0.0 0 0.0 0 0.0 0 0.0 7 34
223 A 232 LYS K S S S- 0 0 -94.1 175.8 -179.1 -122.4 78.1 113.9 0 0.0 0 0.0 0 0.0 0 0.0 10 41
224 A 233 THR T e - 0 0 -122.9 129.0 178.3 -128.2 14.3 166.5 0 0.0 327 -3.4 0 0.0 226 -1.1 13 45
225 A 234 VAL V E E DOC - 326 259 -77.3 105.8 -178.3 -170.0 25.7 129.9 259 -1.6 259 -1.5 0 0.0 0 0.0 13 53
226 A 235 LYS K E E D* + 0 0 -63.4 -40.4 -176.9 5.5 63.0 29.5 325 -1.6 0 0.0 224 -1.1 0 0.0 10 40
227 A 236 LYS K E E DO - 325 0 -148.6 151.9 177.3 -150.4 54.9 172.9 325 -1.3 325 -2.3 0 0.0 0 0.0 12 44
228 A 237 ILE I E E DOP - 324 255 -126.0 116.4 180.0 -176.0 20.0 167.3 255 -0.6 255 -2.0 0 0.0 0 0.0 14 52
229 A 238 LYS K E E DOP - 323 254 -115.0 141.8 -179.5 -171.5 4.1 155.3 323 -2.5 323 -3.2 0 0.0 0 0.0 11 50
230 A 239 VAL V E E DOP + 322 253 -133.2 128.8 177.9 166.6 12.4 176.2 253 -3.4 253 -3.1 0 0.0 0 0.0 13 55
231 A 240 LEU L E E DOP - 321 252 -141.7 163.9 178.7 -124.2 34.9 160.8 321 -2.4 321 -2.9 0 0.0 233 -0.6 13 51
232 A 241 VAL V E E DOP - 320 251 -107.3 118.2 -179.6 -163.4 30.9 160.8 251 -3.2 250 -3.0 0 0.0 251 -0.7 14 66
233 A 242 GLU E E E DOP - 319 249 -107.1 137.6 177.8 -149.3 11.6 149.6 319 -2.9 319 -1.6 231 -0.6 235 -0.7 13 52
234 A 243 GLN Q E E DOP - 318 248 -106.0 104.8 179.0 -161.4 13.9 152.0 248 -3.1 248 -1.6 0 0.0 236 -0.6 15 57
235 A 244 VAL V E E DOP - 317 247 -89.5 121.8 -179.3 -171.4 9.7 140.3 317 -1.7 317 -1.9 233 -0.7 0 0.0 12 47
236 A 245 THR T E E DOP - 316 246 -117.2 135.1 179.3 -174.6 9.0 158.4 246 -3.3 246 -2.4 234 -0.6 0 0.0 13 58
237 A 246 ASN N E E DOP - 315 245 -131.7 110.2 178.6 -149.2 15.2 158.1 315 -2.6 315 -2.7 0 0.0 0 0.0 11 52
238 A 247 VAL V E E DO + 314 0 -76.3 130.7 -177.8 175.4 20.3 128.5 244 -2.0 0 0.0 0 0.0 0 0.0 12 52
239 A 248 VAL V e + 0 0 -123.0 15.5 -179.4 63.2 54.7 75.5 313 -2.4 0 0.0 0 0.0 0 0.0 13 44
240 A 249 LEU L S S S- 0 0 -111.4 -43.4 -178.0 -3.0 114.9 30.9 313 -0.6 0 0.0 0 0.0 0 0.0 10 41
241 A 250 TYR Y S S S+ 0 0 -119.9 -28.4 -178.9 15.8 131.0 44.1 0 0.0 0 0.0 0 0.0 0 0.0 7 36
242 A 251 SER S S S S- 0 0 -144.0 142.1 -179.7 -122.6 72.9 171.1 0 0.0 244 -1.5 0 0.0 0 0.0 7 37
243 A 252 SER S + 0 0 -86.5 58.6 179.1 168.9 46.9 110.5 0 0.0 0 0.0 0 0.0 0 0.0 8 34
244 A 253 ASP D e - 0 0 -67.5 154.5 -179.7 -158.8 16.9 107.5 242 -1.5 238 -2.0 0 0.0 0 0.0 9 38
245 A 254 TYR Y E E DP + 237 0 -140.1 124.5 177.6 176.3 12.5 169.5 0 0.0 0 0.0 0 0.0 0 0.0 9 40
246 A 255 TYR Y E E DP + 236 0 -126.8 148.2 177.5 177.5 5.7 163.1 236 -2.4 236 -3.3 0 0.0 0 0.0 11 45
247 A 256 ILE I E E DP + 235 0 -150.0 105.4 -179.1 167.4 15.7 145.0 0 0.0 0 0.0 0 0.0 0 0.0 9 46
248 A 257 LYS K E E DP - 234 0 -122.3 162.6 179.7 -112.8 36.8 145.1 234 -1.6 234 -3.1 0 0.0 250 -0.5 9 47
249 A 258 THR T E E DP + 233 0 -93.3 123.3 -179.7 174.6 28.7 144.8 0 0.0 0 0.0 0 0.0 0 0.0 9 46
250 A 259 VAL V E E D* S+ 0 0 -111.2 7.9 179.0 11.0 70.3 71.1 232 -3.0 274 -1.2 248 -0.5 0 0.0 13 52
251 A 260 ALA A E E DP + 232 0 -179.3 137.3 -179.5 177.0 66.5 143.8 232 -0.7 232 -3.2 0 0.0 0 0.0 12 46
252 A 261 ALA A E E DP + 231 0 -155.5 144.9 179.4 168.7 5.9 171.8 0 0.0 0 0.0 0 0.0 0 0.0 10 42
253 A 262 GLU E E E DP - 230 0 -148.6 158.9 178.5 -155.1 13.1 165.7 230 -3.1 230 -3.4 0 0.0 0 0.0 10 37
254 A 263 GLU E E E DP - 229 0 -142.6 145.2 -179.7 -123.7 16.4 177.4 0 0.0 0 0.0 0 0.0 0 0.0 9 39
255 A 264 ALA A E E DP - 228 0 -84.2 156.1 179.4 -145.8 7.0 118.1 228 -2.0 228 -0.6 0 0.0 0 0.0 9 34
256 A 265 GLN Q S S S+ 0 0 -89.5 -29.1 180.0 96.4 71.5 40.3 0 0.0 0 0.0 0 0.0 0 0.0 6 26
257 A 266 GLU E - 0 0 -53.6 170.6 177.8 -154.6 58.9 84.2 0 0.0 0 0.0 0 0.0 0 0.0 6 33
258 A 267 LYS K - 0 0 -143.0 157.6 179.8 -130.8 13.6 158.9 0 0.0 0 0.0 0 0.0 0 0.0 9 39
259 A 268 VAL V B B C - 225 0 -122.1 89.7 179.9 -160.8 23.0 139.8 225 -1.5 225 -1.6 0 0.0 0 0.0 12 39
260 A 269 PRO P t > T - 0 0 -58.3 163.4 180.0 -64.6 43.3 93.2 0 0.0 263 -0.5 0 0.0 0 0.0 9 34
261 A 270 PRO P T T 3 TS+ 0 0 -52.6 145.9 -179.6 9.2 118.6 98.2 0 0.0 0 0.0 0 0.0 0 0.0 10 34
262 A 271 ASN N T T 3 TS+ 0 0 45.8 55.8 178.4 106.1 106.1 25.7 221 -0.9 0 0.0 219 -0.8 0 0.0 9 29
263 A 272 SER S E E CN < T - 219 0 -154.6 152.6 179.9 -139.4 55.6 168.5 219 -1.4 219 -1.3 260 -0.5 0 0.0 9 27
264 A 273 SER S E E CN - 218 0 -111.5 175.9 178.5 -171.8 11.8 125.5 0 0.0 0 0.0 0 0.0 0 0.0 9 35
265 A 274 LEU L E E CN - 217 0 -167.8 134.7 177.2 -169.6 10.1 151.8 217 -1.5 217 -2.4 0 0.0 0 0.0 8 36
266 A 275 THR T E E CN + 216 0 -130.2 113.5 -179.5 162.7 23.3 169.7 0 0.0 0 0.0 0 0.0 0 0.0 8 38
267 A 276 LYS K E E CN - 215 0 -127.6 160.9 -179.0 -151.1 23.3 152.0 215 -2.4 215 -2.5 0 0.0 0 0.0 8 38
268 A 277 THR T E E CN - 214 0 -143.9 114.7 -179.0 -169.4 10.1 158.1 0 0.0 0 0.0 0 0.0 0 0.0 8 39
269 A 278 LEU L E E CN - 213 0 -103.7 150.6 -179.6 -139.8 13.3 139.3 213 -1.9 213 -2.7 0 0.0 271 -0.5 12 40
270 A 279 THR T E E CN - 212 0 -115.4 124.5 179.3 -177.1 18.9 159.5 0 0.0 0 0.0 0 0.0 0 0.0 9 41
271 A 280 LEU L E E CN - 211 0 -117.5 152.4 178.9 -154.5 14.4 149.6 211 -2.3 211 -3.3 269 -0.5 0 0.0 13 48
272 A 281 VAL V - 0 0 -131.2 96.2 179.9 -143.6 14.1 146.3 0 0.0 274 -0.6 0 0.0 0 0.0 9 44
273 A 282 PRO P + 0 0 -58.8 102.4 -179.4 153.4 40.4 113.4 0 0.0 208 -0.6 0 0.0 0 0.0 11 55
274 A 283 LEU L g > T - 0 0 -139.9 142.0 179.2 -139.1 53.4 175.5 250 -1.2 277 -1.6 272 -0.6 0 0.0 12 49
275 A 284 LEU L G G > TS+ 0 0 -62.1 -36.1 -179.8 62.1 108.8 26.7 0 0.0 278 -1.7 0 0.0 0 0.0 9 52
276 A 285 ALA A G G 3 TS+ 0 0 -64.7 -14.2 -179.3 83.6 80.6 50.4 0 0.0 0 0.0 0 0.0 0 0.0 5 42
277 A 286 ASN N G G < TS+ 0 0 -65.0 -16.4 -180.0 29.4 101.0 46.4 274 -1.6 0 0.0 0 0.0 0 0.0 8 35
278 A 287 ASN N g < T - 0 0 -147.6 144.9 -178.7 -140.5 66.5 177.8 275 -1.7 0 0.0 0 0.0 0 0.0 8 38
279 A 288 ARG R S S S+ 0 0 -72.0 -31.3 179.0 83.9 85.2 37.5 0 0.0 281 -0.9 0 0.0 0 0.0 8 31
280 A 289 GLU E + 0 0 -77.1 107.7 179.5 172.2 50.7 131.1 0 0.0 0 0.0 0 0.0 0 0.0 7 39
281 A 290 ARG R + 0 0 -102.8 21.1 177.8 99.8 46.2 83.6 279 -0.9 0 0.0 0 0.0 0 0.0 11 51
282 A 291 ARG R S S S+ 0 0 -104.8 149.8 178.7 31.1 73.4 143.4 0 0.0 0 0.0 0 0.0 0 0.0 12 55
283 A 292 GLY G S S S+ 0 0 82.8 11.9 177.8 96.9 99.5 50.5 124 -2.9 0 0.0 0 0.0 0 0.0 11 54
284 A 293 ILE I S S S- 0 0 -132.0 150.9 -179.0 -105.3 80.8 162.8 0 0.0 286 -0.5 0 0.0 0 0.0 14 64
285 A 294 ALA A - 0 0 -80.5 121.9 -179.3 -179.1 43.3 132.0 0 0.0 298 -2.6 0 0.0 0 0.0 12 72
286 A 295 LEU L B B AD - 122 297 -115.5 167.1 178.3 -135.4 35.7 134.6 122 -3.2 122 -2.4 284 -0.5 0 0.0 14 72
287 A 296 ASP D S S S+ 0 0 -101.7 6.0 -179.5 19.0 90.3 71.4 296 -2.2 0 0.0 0 0.0 0 0.0 15 63
288 A 297 GLY G S S S- 0 0 -158.0 -178.5 -179.0 -55.8 101.8 156.1 0 0.0 0 0.0 0 0.0 0 0.0 12 56
289 A 298 LYS K t > T - 0 0 -70.8 147.6 179.8 -123.2 44.5 112.0 0 0.0 292 -1.7 0 0.0 0 0.0 9 57
290 A 299 ILE I T T 3 TS+ 0 0 -55.6 -40.0 -178.4 58.4 108.6 30.4 0 0.0 0 0.0 0 0.0 0 0.0 10 47
291 A 300 LYS K T T 3 TS+ 0 0 -77.5 11.2 -179.7 98.0 88.6 73.1 0 0.0 365 -1.0 0 0.0 0 0.0 8 37
292 A 301 HIS H B B E X T - 364 0 -109.9 143.2 -179.5 -144.1 64.9 146.6 289 -1.7 295 -0.7 0 0.0 0 0.0 12 43
293 A 302 GLU E T T 3 TS+ 0 0 -57.6 -63.7 -178.0 48.8 99.6 11.4 363 -2.7 0 0.0 0 0.0 0 0.0 8 31
294 A 303 ASP D T T 3 TS+ 0 0 -59.6 -6.9 179.7 120.5 83.3 61.7 0 0.0 0 0.0 0 0.0 0 0.0 7 39
295 A 304 THR T t < T + 0 0 -66.0 135.1 -179.1 177.4 38.9 114.2 292 -0.7 0 0.0 0 0.0 0 0.0 10 55
296 A 305 ASN N - 0 0 -126.4 178.8 176.9 -72.0 38.8 132.5 0 0.0 287 -2.2 0 0.0 0 0.0 9 57
297 A 306 LEU L B B D - 286 0 -71.8 151.6 178.5 -99.1 60.2 116.5 0 0.0 0 0.0 0 0.0 0 0.0 10 69
298 A 307 ALA A - 0 0 -67.8 149.3 179.3 -119.6 39.8 112.9 285 -2.6 0 0.0 0 0.0 0 0.0 12 73
299 A 308 SER S - 0 0 -84.3 167.3 177.9 -76.6 42.4 113.7 0 0.0 0 0.0 0 0.0 0 0.0 13 67
300 A 309 SER S - 0 0 -61.1 143.7 179.2 -107.1 56.5 111.6 346 -3.2 0 0.0 0 0.0 0 0.0 11 60
301 A 310 THR T - 0 0 -75.5 134.2 178.0 -155.6 28.8 124.5 316 -2.8 303 -0.6 0 0.0 0 0.0 9 59
302 A 311 ILE I - 0 0 -110.0 119.2 -179.5 -156.6 5.5 163.5 0 0.0 304 -0.9 0 0.0 0 0.0 6 51
303 A 312 ILE I - 0 0 -104.3 102.1 179.4 -136.9 13.4 144.2 301 -0.6 0 0.0 0 0.0 0 0.0 7 40
304 A 313 LYS K t > T - 0 0 -47.7 138.3 -179.0 -95.7 39.0 100.0 302 -0.9 307 -1.5 0 0.0 0 0.0 7 30
305 A 314 GLU E T T 3 TS+ 0 0 -66.0 135.8 179.8 29.2 108.2 112.8 0 0.0 0 0.0 0 0.0 0 0.0 4 18
306 A 315 GLY G T T 3 TS+ 0 0 108.3 -28.1 -179.0 109.6 92.8 90.3 0 0.0 0 0.0 0 0.0 0 0.0 4 15
307 A 316 ILE I S t < TS- 0 0 -89.8 140.4 179.7 -113.3 74.0 130.1 304 -1.5 0 0.0 0 0.0 0 0.0 8 22
308 A 317 ASP D g > T - 0 0 -67.8 125.1 -179.1 -133.5 21.8 121.9 0 0.0 311 -2.1 0 0.0 0 0.0 6 22
309 A 318 LYS K G G > TS+ 0 0 -53.7 -27.1 -179.6 68.9 101.1 40.8 0 0.0 312 -1.7 0 0.0 0 0.0 9 32
310 A 319 THR T G G > TS+ 0 0 -64.9 -25.6 179.3 65.0 87.8 38.2 0 0.0 313 -1.6 0 0.0 0 0.0 8 39
311 A 320 VAL V G G < TS+ 0 0 -69.4 -13.0 -179.3 71.7 88.4 50.1 308 -2.1 0 0.0 0 0.0 0 0.0 11 42
312 A 321 MET M G G < TS- 0 0 -78.7 -12.1 178.6 -152.6 89.9 52.9 309 -1.7 314 -2.2 0 0.0 0 0.0 11 56
313 A 322 GLY G S e < TS+ 0 0 77.6 -65.8 179.8 27.1 72.1 111.9 310 -1.6 239 -2.4 0 0.0 240 -0.6 13 58
314 A 323 ILE I E E DO S- 238 0 -133.7 127.5 179.8 -145.9 74.1 177.1 312 -2.2 316 -0.6 0 0.0 0 0.0 14 66
315 A 324 LEU L E E DO - 237 0 -98.8 123.4 -179.6 -172.0 17.8 148.7 237 -2.7 237 -2.6 0 0.0 0 0.0 12 57
316 A 325 VAL V E E DO + 236 0 -117.5 137.7 179.5 160.9 10.9 158.5 314 -0.6 301 -2.8 0 0.0 0 0.0 13 58
317 A 326 SER S E E DO - 235 0 -149.7 160.4 -179.4 -142.0 21.5 167.3 235 -1.9 235 -1.7 0 0.0 0 0.0 13 55
318 A 327 TYR Y E E DOQ + 234 344 -127.1 158.9 179.2 171.8 16.8 151.8 344 -0.7 344 -1.3 0 0.0 0 0.0 13 57
319 A 328 GLN Q E E DOQ - 233 343 -159.6 156.9 178.1 -122.2 30.2 170.8 233 -1.6 233 -2.9 0 0.0 0 0.0 13 61
320 A 329 ILE I E E DOQ - 232 342 -104.9 131.8 -179.6 -159.9 27.3 154.3 342 -3.6 342 -2.7 0 0.0 0 0.0 12 61
321 A 330 LYS K E E DOQ - 231 341 -116.7 128.9 179.0 -160.1 2.9 164.4 231 -2.9 231 -2.4 0 0.0 323 -0.5 12 57
322 A 331 VAL V E E DOQ - 230 340 -110.2 125.9 -179.2 -165.4 5.9 159.4 340 -2.4 340 -1.6 0 0.0 324 -0.6 12 59
323 A 332 LYS K E E DOQ - 229 339 -115.5 112.0 178.1 -167.3 2.1 158.1 229 -3.2 229 -2.5 321 -0.5 325 -0.7 11 53
324 A 333 LEU L E E DOQ - 228 338 -99.1 114.4 177.3 -154.6 9.0 149.2 338 -2.7 338 -1.9 322 -0.6 326 -0.8 12 58
325 A 334 THR T E E DOQ - 227 337 -86.3 113.4 -178.7 -158.9 17.7 142.6 227 -2.3 226 -1.6 323 -0.7 227 -1.3 12 44
326 A 335 VAL V E E DOQ - 225 336 -102.0 127.3 179.9 -121.5 14.4 147.0 336 -1.6 336 -0.7 324 -0.8 0 0.0 13 49
327 A 336 SER S e - 0 0 -58.4 150.0 177.9 -132.0 23.0 102.7 224 -3.4 0 0.0 0 0.0 0 0.0 12 35
328 A 337 GLY G - 0 0 -76.4 -135.8 179.5 -87.3 37.6 62.7 0 0.0 0 0.0 0 0.0 0 0.0 12 30
329 A 338 LEU L t > T - 0 0 -124.5 -161.4 179.6 -49.6 59.9 116.2 0 0.0 332 -1.0 0 0.0 0 0.0 6 23
330 A 339 LEU L T T 3 TS+ 0 0 -35.5 -74.6 178.9 31.7 137.6 25.3 0 0.0 332 -1.7 0 0.0 0 0.0 4 16
331 A 340 GLY G T T 3 TS+ 0 0 -87.9 68.8 -179.5 172.6 90.5 120.8 0 0.0 0 0.0 0 0.0 0 0.0 5 13
332 A 341 GLU E t < T + 0 0 -84.1 131.2 177.4 165.6 20.3 130.6 330 -1.7 0 0.0 329 -1.0 0 0.0 8 17
333 A 342 LEU L S S S+ 0 0 -102.0 -58.8 178.2 11.1 75.3 39.1 0 0.0 0 0.0 0 0.0 0 0.0 5 14
334 A 343 THR T S S S- 0 0 -117.2 163.1 179.6 -130.8 74.3 140.5 0 0.0 0 0.0 0 0.0 0 0.0 6 19
335 A 344 SER S - 0 0 -117.1 135.4 -179.9 -124.7 22.4 161.1 0 0.0 0 0.0 0 0.0 0 0.0 9 25
336 A 345 SER S E E DQ - 326 0 -68.1 178.0 178.8 -147.4 20.1 90.1 326 -0.7 326 -1.6 0 0.0 0 0.0 8 31
337 A 346 GLU E E E DQ - 325 0 -157.4 120.9 178.3 -164.2 8.9 148.9 0 0.0 0 0.0 0 0.0 0 0.0 8 36
338 A 347 VAL V E E DQ - 324 0 -102.2 142.4 179.4 -169.2 12.1 143.8 324 -1.9 324 -2.7 0 0.0 0 0.0 8 42
339 A 348 ALA A E E DQ + 323 0 -129.4 154.4 -178.0 177.8 6.1 159.2 0 0.0 0 0.0 0 0.0 0 0.0 8 40
340 A 349 THR T E E DQ - 322 0 -152.0 158.2 -179.3 -143.1 12.7 166.8 322 -1.6 322 -2.4 0 0.0 0 0.0 7 41
341 A 350 GLU E E E DQ - 321 0 -136.6 147.3 177.6 -169.5 10.2 167.9 0 0.0 0 0.0 0 0.0 0 0.0 8 44
342 A 351 VAL V E E DQ - 320 0 -130.7 122.7 -179.7 -138.2 23.9 173.4 320 -2.7 320 -3.6 0 0.0 0 0.0 12 46
343 A 352 PRO P E E DQ + 319 0 -84.3 144.8 176.5 165.4 26.8 124.7 0 0.0 0 0.0 0 0.0 0 0.0 9 48
344 A 353 PHE F E E DQ - 318 0 -148.6 161.2 179.7 -116.1 31.3 164.5 318 -1.3 318 -0.7 0 0.0 0 0.0 12 53
345 A 354 ARG R E E Dm - 204 0 -103.6 151.1 -179.3 -160.7 21.7 140.9 203 -3.3 205 -2.6 0 0.0 0 0.0 12 58
346 A 355 LEU L E E Dm + 205 0 -133.7 126.3 179.3 127.1 28.1 172.9 0 0.0 300 -3.2 0 0.0 0 0.0 12 62
347 A 356 MET M E E Dm - 206 0 -155.8 -170.3 178.4 -67.4 55.8 148.7 205 -1.9 207 -1.9 0 0.0 0 0.0 14 58
348 A 357 HIS H B B b - 170 0 -91.4 156.9 -179.5 -85.6 61.3 126.9 169 -2.7 171 -2.0 0 0.0 0 0.0 11 51
349 A 358 PRO P - 0 0 -54.0 162.3 180.0 -75.6 58.7 88.9 0 0.0 0 0.0 0 0.0 0 0.0 8 34
350 A 359 GLN Q - 0 0 -57.1 159.2 -180.0 -94.8 59.2 96.9 0 0.0 0 0.0 0 0.0 0 0.0 10 33
351 A 360 PRO P - 0 0 -70.6 170.9 177.9 -91.3 45.7 99.7 0 0.0 0 0.0 0 0.0 0 0.0 10 27
352 A 361 GLU E 0 0 -76.7 157.1 -179.1 999.9 999.9 118.1 0 0.0 0 0.0 0 0.0 0 0.0 3 20
353!A 362 ASP D 0 0 -87.0 999.9 999.9 999.9 999.9 136.6 0 0.0 0 0.0 0 0.0 0 0.0 3 16
354!A 374 ASN N 0 0 999.9 81.6 -178.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 19
355 A 375 PHE F - 0 0 -90.7 138.3 178.9 -162.4 999.9 129.9 0 0.0 357 -0.5 0 0.0 0 0.0 6 27
356 A 376 VAL V E E Aa - 2 0 -123.8 95.4 -178.3 -144.9 20.3 151.0 1 -2.4 3 -1.3 0 0.0 0 0.0 7 21
357 A 377 PHE F E E Aa + 3 0 -64.4 145.2 -178.7 174.5 23.0 104.6 355 -0.5 0 0.0 0 0.0 0 0.0 8 32
358 A 378 GLU E E E Aa - 4 0 -149.7 155.4 179.5 -91.0 35.8 169.7 3 -2.4 5 -2.2 0 0.0 0 0.0 8 24
359 A 379 GLU E E E Aa - 5 0 -67.6 142.6 -179.0 -138.0 28.4 113.7 0 0.0 0 0.0 0 0.0 0 0.0 7 29
360 A 380 PHE F S e S+ 0 0 -69.3 -44.1 -179.0 106.2 70.9 22.8 5 -1.6 0 0.0 0 0.0 0 0.0 9 37
361 A 381 ALA A S S S- 0 0 -38.9 131.3 -179.5 -124.7 73.1 91.5 0 0.0 0 0.0 0 0.0 0 0.0 4 38
362 A 382 ARG R - 0 0 -83.7 146.9 179.4 -107.2 23.4 123.7 0 0.0 0 0.0 0 0.0 0 0.0 7 34
363 A 383 GLN Q - 0 0 -72.3 147.4 -178.7 -119.6 37.2 115.9 0 0.0 293 -2.7 0 0.0 0 0.0 7 23
364 A 384 ASN N B B E - 292 0 -90.4 153.4 178.4 -108.8 19.8 122.8 0 0.0 0 0.0 0 0.0 0 0.0 7 24
365 A 385 LEU L - 0 0 -71.5 148.4 -179.5 -137.8 26.4 119.8 291 -1.0 0 0.0 0 0.0 0 0.0 8 27
366 A 386 LYS K S S S+ 0 0 -79.9 -39.8 177.9 26.7 96.0 28.1 0 0.0 0 0.0 0 0.0 0 0.0 4 21
367 A 387 ASP D S S S+ 0 0 -122.2 74.4 -178.2 164.8 75.3 131.7 0 0.0 369 -1.2 0 0.0 0 0.0 5 23
368 A 388 ALA A - 0 0 -93.5 69.0 179.8 -122.4 41.7 122.0 0 0.0 0 0.0 0 0.0 0 0.0 11 35
369 A 389 GLY G - 0 0 29.3 -140.9 179.9 -40.1 57.9 80.1 367 -1.2 0 0.0 0 0.0 0 0.0 8 31
370 A 390 GLU E + 0 0 -113.3 154.9 179.3 152.3 67.7 143.7 0 0.0 0 0.0 0 0.0 0 0.0 7 29
371 A 391 TYR Y - 0 0 -175.2 159.4 179.1 -95.8 41.4 165.1 0 0.0 0 0.0 0 0.0 0 0.0 8 37
372 A 392 LYS K 0 0 -84.0 147.3 -179.7 999.9 999.9 124.9 0 0.0 0 0.0 0 0.0 0 0.0 4 31
373 A 393 GLU E 0 0 -108.2 999.9 999.9 999.9 999.9 122.9 0 0.0 0 0.0 0 0.0 0 0.0 2 23
1cf1A.pdb
1CF1 STRUCTURAL PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEE SSSSEEEEES SEEEEETTEE EEEEEEE TTT SS EEEEEEEEEEEE TTS EEEEEEEEEEEEES SSS S HHHHHHHH Kabs/Sand
chirality --+----+-++-----+-+---+-+-----++------++++-+------+-+---+--+-++---+-----+-+---+++-+-++-+---++++++++ chirality
bends SSSS S SS SS SSS SS SSS SS SSS S SSSSSSSS bends
turns TTTT TTTTT TTTT TTTTTTTTT turns
5-turns 5-turns
3-turns >33< >33< >33< 3-turns
bridge-2 BBBB CCCCC EE FFFFFF HHHHHHHHHHH bridge-2
bridge-1 aaaa BBBB dddd EE CCCCC GGGGGGGGGGGG HHHH*HHHHHH*H bridge-1
sheets AAAAAA AAAAA BBBBB BB AAAAAAA BBBBBBBBBBBB BBBBBBBBBBBBB sheets
4-turns >444< >>>>XXXX< 4-turns
summary eEEEEEEeSSSeEEEEEe eEEEEETTEEe EEEEEEEeTTTtSS EEEEEEEEEEEEe tTTt EEEEEEEEEEEEES SSS S hHHHHHHHH summary
sequence HVIFKKISRDKSVTIYLGKRDYIDHVERVEPVDGVVLVDPELVKGKRVYVSLTCAFRYGQEDIDVMGLSFRRDLYFSQVQVFPPVGASGATTRLQESLIK sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HH SSEEEEEE SS EEE TT S EEEEEEEEEEEE HHHHHTT STTEEEEEEEEEEB S EEEEEEEEETTEEEEEEEEE Kabs/Sand
chirality +--+++--------++---++-----++-+--++-------+----+++++-+---+++---------+---++------++-----+--+----+-+-- chirality
bends SS SS SS SS S SSSSSS SSS S SSS bends
turns TTT TTTT TTTTTTTTT TTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33< 3-turns
bridge-2 A III JJJJJJ LLLLLL bridge-2
bridge-1 FFFFFF III GGGGGGGGGGGG JJJJJJddddb KKKKKKKKK KKKKKKKKK bridge-1
sheets AAAAAA BBB BBBBBBBBBBBB BBBBBBBBBB CCCCCCCCC CCCCCCCCC sheets
4-turns <<< >>>4<<< 4-turns
summary HHhSeEEEEEE SS EEE tTTt S eEEEEEEEEEEEEhHHHHHhTt tTeEEEEEEEEEEe S EEEEEEEEETTEEEEEEEEE summary
sequence KLGANTYPFLLTFPDYLPCSVMLQPAPQDVGKSCGVDFEIKAFATHSTDVEEDKIPKKSSVRLLIRKVQHAPRDMGPQPRAEASWQFFMSDKPLRLAVSL sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand S SEEETT EEEEEEEEE SSS EEEEEEEEEEEEEE SSS EEEEEEEEEEES B TTEEEEEEEEE GGG S SSS BSS TTBTT B Kabs/Sand
chirality --+---++----------++-+---+---+-------++-+-+-+++-++++---+----++---+------+-+++-+++++---+--++-+++----- chirality
bends S S SS SSS SSS S S SS SSS S SSS SS SS SS bends
turns TTTT TTTT TTTTT TTTTTTT turns
5-turns 5-turns
3-turns >33< >33< >>3<< >33X33< 3-turns
bridge-2 NNNNNNNNN C PPPPPPPPPP D bridge-2
bridge-1 mmm LLLLLL O*OOOOOOOOOOOO PPPPP*PPPPP C NNNNNNNNN A E D bridge-1
sheets DDD CCCCCCCCC DDDDDDDDDDDDDD DDDDDDDDDDD CCCCCCCCC sheets
4-turns 4-turns
summary S eEEEeTt EEEEEEEEEeSSSeEEEEEEEEEEEEEEeSSS eEEEEEEEEEEES BtTTEEEEEEEEE gGGGgS SSS BSStTTBTTt B summary
sequence SKEIYYHGEPIPVTVAVTNSTEKTVKKIKVLVEQVTNVVLYSSDYYIKTVAAEEAQEKVPPNSSLTKTLTLVPLLANNRERRGIALDGKIKHEDTNLASS sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand TTS GGGGSEEEEEEEEEEEEE TT SS EEEEEEEEEEEEB EEEESS B SS Kabs/Sand
chirality ----++--+++-+--+-+-----------++++-----+---+--+----- --+--+-----++--+- chirality
bends SSS SSSSSS SS SS SS SS bends
turns TTTTTTTTTT TTTT turns
5-turns 5-turns
3-turns >33<>>><<< >33< 3-turns
bridge-2 QQQQQQQQQ bridge-2
bridge-1 OOOOOOOOOOOOO QQQQQQQQQmmmb aaaa E bridge-1
sheets DDDDDDDDDDDDD DDDDDDDDDDDD AAAA sheets
4-turns 4-turns
summary tTTtgGGGGeEEEEEEEEEEEEEe tTTtSS EEEEEEEEEEEEB EEEEeS B SS summary
sequence TIIKEGIDKTVMGILVSYQIKVKLTVSGLLGELTSSEVATEVPFRLMHPQPEDNFVFEEFARQNLKDAGEYKE sequence
310 320 330 340 350 360 370
Messages
chain break between 353(A 362 ) and 354(A 374 )