Secondary structure calculation program - copyright by David Keith Smith, 1989
1jdrA.pdb
1JDR OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 294
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 1 THR T 0 0 999.9 103.9 176.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 11
2 A 2 THR T - 0 0 -46.8 129.6 180.0 -104.0 999.9 108.3 0 0.0 0 0.0 0 0.0 0 0.0 4 12
3 A 3 PRO P - 0 0 -60.9 126.7 -178.7 -121.0 41.2 115.1 0 0.0 0 0.0 0 0.0 0 0.0 7 21
4 A 4 LEU L - 0 0 -71.8 153.8 177.5 -138.1 12.5 113.6 61 -0.7 6 -0.5 0 0.0 0 0.0 7 32
5 A 5 VAL V - 0 0 -112.3 124.0 179.8 -155.2 12.6 162.3 0 0.0 7 -0.8 0 0.0 0 0.0 8 33
6 A 6 HIS H E E Aa - 274 0 -105.6 101.0 -179.7 -163.0 9.7 153.1 273 -0.7 275 -3.6 4 -0.5 0 0.0 8 43
7 A 7 VAL V E E Aa - 275 0 -87.0 126.5 179.2 -118.2 22.9 137.4 5 -0.8 0 0.0 0 0.0 0 0.0 10 35
8 A 8 ALA A e - 0 0 -63.8 132.7 178.8 -168.0 29.4 112.9 275 -2.9 0 0.0 0 0.0 0 0.0 13 43
9 A 9 SER S - 0 0 -128.7 110.6 -179.8 -129.1 19.7 165.1 129 -2.7 0 0.0 0 0.0 0 0.0 8 40
10 A 10 VAL V - 0 0 -59.6 130.9 178.6 -100.7 34.7 112.2 0 0.0 0 0.0 0 0.0 0 0.0 10 40
11 A 11 GLU E t > T - 0 0 -54.0 127.9 -176.9 -76.5 63.6 109.4 0 0.0 14 -2.5 0 0.0 0 0.0 10 35
12 A 12 LYS K T T 3 TS- 0 0 -36.8 117.2 178.7 -13.5 107.4 89.4 0 0.0 0 0.0 0 0.0 0 0.0 4 24
13 A 13 GLY G T T 3 TS+ 0 0 69.0 0.9 -178.9 140.2 98.9 66.5 0 0.0 0 0.0 0 0.0 0 0.0 5 19
14 A 14 ARG R t < T + 0 0 -79.4 148.9 179.7 168.2 22.0 115.6 11 -2.5 0 0.0 0 0.0 0 0.0 9 32
15 A 15 SER S h > > T - 0 0 -142.0 -173.5 -179.3 -65.4 53.5 140.2 0 0.0 19 -1.5 0 0.0 18 -0.8 6 32
16 A 16 TYR Y H H > 3 TS+ 0 0 -47.0 -49.0 -179.5 57.6 125.7 31.0 0 0.0 20 -2.6 0 0.0 0 0.0 7 31
17 A 17 GLU E H H > 3 TS+ 0 0 -52.6 -43.8 -179.2 51.8 104.7 29.4 0 0.0 21 -1.6 0 0.0 0 0.0 7 32
18 A 18 ASP D H H > < TS+ 0 0 -61.2 -47.8 -179.4 43.7 112.9 20.7 15 -0.8 22 -1.5 0 0.0 0 0.0 8 37
19 A 19 PHE F H H X TS+ 0 0 -69.7 -31.3 178.3 57.3 108.6 32.5 15 -1.5 23 -2.8 0 0.0 0 0.0 9 52
20 A 20 GLN Q H H X TS+ 0 0 -66.3 -32.4 179.0 54.1 105.1 30.3 16 -2.6 24 -2.8 0 0.0 0 0.0 10 49
21 A 21 LYS K H H X TS+ 0 0 -67.3 -40.2 179.2 46.0 109.3 25.1 17 -1.6 25 -2.1 0 0.0 0 0.0 8 42
22 A 22 VAL V H H X TS+ 0 0 -67.6 -43.6 177.7 51.3 112.3 21.7 18 -1.5 26 -2.3 0 0.0 0 0.0 10 55
23 A 23 TYR Y H H X TS+ 0 0 -55.6 -50.6 -179.4 49.8 110.3 18.3 19 -2.8 27 -3.2 0 0.0 0 0.0 12 64
24 A 24 ASN N H H X TS+ 0 0 -57.8 -41.9 179.8 52.1 108.4 27.2 20 -2.8 28 -3.0 0 0.0 0 0.0 10 46
25 A 25 ALA A H H X TS+ 0 0 -62.1 -41.9 179.2 45.2 112.9 25.0 21 -2.1 29 -1.9 0 0.0 0 0.0 9 47
26 A 26 ILE I H H X TS+ 0 0 -65.5 -48.3 -179.5 48.6 114.4 17.1 22 -2.3 30 -2.1 0 0.0 0 0.0 12 59
27 A 27 ALA A H H X TS+ 0 0 -58.8 -43.7 179.6 50.5 110.6 28.1 23 -3.2 31 -1.8 0 0.0 0 0.0 13 56
28 A 28 LEU L H H X TS+ 0 0 -64.5 -39.0 179.1 47.9 111.4 26.6 24 -3.0 32 -2.4 0 0.0 0 0.0 9 41
29 A 29 LYS K H H X TS+ 0 0 -71.7 -31.6 178.4 56.0 107.6 33.0 25 -1.9 33 -2.9 0 0.0 0 0.0 8 47
30 A 30 LEU L H H < TS+ 0 0 -64.2 -38.8 179.6 44.8 111.3 27.3 26 -2.1 0 0.0 0 0.0 0 0.0 12 52
31 A 31 ARG R H H < > TS+ 0 0 -69.6 -44.5 -179.3 46.6 116.0 23.6 27 -1.8 34 -0.6 0 0.0 0 0.0 8 39
32 A 32 GLU E H H < 3 TS+ 0 0 -64.8 -48.4 -178.1 51.2 109.4 24.2 28 -2.4 34 -0.7 0 0.0 0 0.0 6 27
33 A 33 ASP D T h < > T + 0 0 -91.7 49.9 -177.7 137.1 66.9 105.1 29 -2.9 36 -0.9 0 0.0 0 0.0 9 34
34 A 34 ASP D T T < T + 0 0 -70.0 -19.7 -179.3 73.4 55.3 53.4 32 -0.7 0 0.0 31 -0.6 0 0.0 10 30
35 A 35 GLU E T h > 3 T + 0 0 -68.3 -28.8 -177.9 118.3 69.5 37.0 0 0.0 39 -2.5 0 0.0 0 0.0 8 23
36 A 36 TYR Y H H > <>TS+ 0 0 -44.8 135.3 178.8 4.7 80.7 91.2 33 -0.9 41 -2.7 0 0.0 40 -1.4 9 32
37 A 37 ASP D H H 4 >5TS- 0 0 51.5 59.6 179.8 -46.4 139.6 19.6 0 0.0 40 -0.9 0 0.0 0 0.0 7 38
38 A 38 ASN N H H 4 35TS- 0 0 51.8 46.4 178.6 -50.3 113.1 27.4 0 0.0 0 0.0 0 0.0 0 0.0 6 25
39 A 39 TYR Y H H < 35TS+ 0 0 69.3 21.1 176.3 116.9 109.9 46.0 35 -2.5 0 0.0 0 0.0 0 0.0 7 26
40 A 40 ILE I T h < <5T - 0 0 -81.4 -33.5 -178.8 -146.0 68.2 33.2 36 -1.4 0 0.0 37 -0.9 0 0.0 13 42
41 A 41 GLY G t TS+ 0 0 -79.0 -6.3 -179.4 97.6 103.3 60.2 0 0.0 46 -2.0 0 0.0 0 0.0 14 56
43 A 43 GLY G H H > TS+ 0 0 -48.2 -58.8 -179.9 44.4 84.1 21.1 0 0.0 47 -1.7 0 0.0 0 0.0 15 64
44 A 44 PRO P H H > TS+ 0 0 -56.0 -48.8 -179.2 49.5 112.7 22.7 0 0.0 48 -2.4 0 0.0 0 0.0 13 70
45 A 45 VAL V H H > TS+ 0 0 -63.5 -29.7 178.3 54.3 109.0 33.6 0 0.0 49 -2.2 0 0.0 0 0.0 12 63
46 A 46 LEU L H H X TS+ 0 0 -70.5 -37.8 178.8 48.4 108.4 27.8 42 -2.0 50 -2.3 0 0.0 0 0.0 14 71
47 A 47 VAL V H H X TS+ 0 0 -66.6 -43.2 179.5 49.0 112.3 20.1 43 -1.7 51 -2.3 0 0.0 0 0.0 13 71
48 A 48 A ARG R H H X TS+ 0 0 -63.3 -38.0 178.8 52.5 109.5 28.2 44 -2.4 52 -3.1 0 0.0 0 0.0 10 67
49 A 49 LEU L H H X TS+ 0 0 -63.0 -45.6 179.6 49.1 109.3 20.4 45 -2.2 53 -2.4 0 0.0 0 0.0 14 66
50 A 50 ALA A H H X TS+ 0 0 -60.4 -42.0 -179.6 45.7 114.4 26.2 46 -2.3 54 -0.9 0 0.0 0 0.0 14 75
51 A 51 TRP W H H X > TS+ 0 0 -69.5 -44.0 179.7 47.7 113.7 19.7 47 -2.3 55 -3.4 0 0.0 54 -0.5 12 76
52 A 52 HIS H H H < 3 TS+ 0 0 -67.0 -33.4 179.5 51.8 109.8 32.4 48 -3.1 0 0.0 0 0.0 0 0.0 10 75
53 A 53 THR T H H < 3 TS+ 0 0 -74.7 -21.1 178.9 36.1 120.2 43.1 49 -2.4 0 0.0 0 0.0 0 0.0 15 76
54 A 54 SER S H H < X TS+ 0 0 -97.1 -32.0 -176.8 71.8 104.3 38.8 50 -0.9 57 -1.6 51 -0.5 0 0.0 16 72
55 A 55 GLY G T h < 3 TS+ 0 0 -68.1 -1.8 178.8 76.0 77.7 66.5 51 -3.4 0 0.0 0 0.0 0 0.0 13 67
56 A 56 THR T T T 3 TS+ 0 0 -85.2 -4.9 -178.2 124.1 72.1 62.8 0 0.0 0 0.0 0 0.0 0 0.0 12 60
57 A 57 TRP W t < T - 0 0 -59.7 144.8 177.5 -159.9 47.0 103.1 54 -1.6 0 0.0 0 0.0 0 0.0 15 55
58 A 58 ASP D t > > T - 0 0 -129.6 111.1 -179.4 -157.5 8.5 162.1 63 -1.8 62 -1.8 0 0.0 61 -1.0 11 47
59 A 59 LYS K T T 4 3 TS+ 0 0 -57.9 -25.2 -178.2 68.4 87.5 42.0 160 -2.2 0 0.0 0 0.0 0 0.0 10 38
60 A 60 HIS H T T 4 3 TS+ 0 0 -66.6 -37.9 -178.8 2.9 124.0 31.1 0 0.0 0 0.0 0 0.0 0 0.0 5 28
61 A 61 ASP D T T 4 < TS- 0 0 -133.0 8.6 -179.3 -116.4 94.8 74.4 58 -1.0 4 -0.7 0 0.0 0 0.0 8 29
62 A 62 ASN N t < T + 0 0 59.0 28.4 178.0 149.2 62.6 40.8 58 -1.8 0 0.0 0 0.0 0 0.0 12 40
63 A 63 THR T + 0 0 -85.4 161.3 -179.3 11.1 52.1 121.8 0 0.0 58 -1.8 0 0.0 0 0.0 13 50
64 A 64 GLY G S S S+ 0 0 69.0 -158.1 179.7 126.7 75.5 106.5 0 0.0 0 0.0 0 0.0 0 0.0 14 59
65 A 65 GLY G S S S- 0 0 95.3 172.0 -178.7 -70.8 75.0 101.3 0 0.0 0 0.0 0 0.0 0 0.0 16 67
66 A 66 SER S S t > TS+ 0 0 -74.4 -27.7 -176.7 84.5 108.0 41.2 0 0.0 69 -0.9 0 0.0 0 0.0 18 71
67 A 67 TYR Y T T 3 TS+ 0 0 -43.7 -55.5 -177.2 43.4 90.4 30.7 0 0.0 0 0.0 0 0.0 0 0.0 16 63
68 A 68 GLY G T T 3 TS- 0 0 -71.7 -20.8 -179.6 -140.9 87.7 50.1 0 0.0 133 -1.7 0 0.0 0 0.0 15 59
69 A 69 GLY G g X T + 0 0 62.2 31.8 -177.3 159.3 42.0 38.7 66 -0.9 72 -1.5 0 0.0 0 0.0 16 63
70 A 70 THR T G G > T + 0 0 -66.6 -7.5 179.2 90.5 46.1 58.8 0 0.0 73 -2.3 0 0.0 0 0.0 16 53
71 A 71 TYR Y G G 3 TS+ 0 0 -60.5 -22.0 -180.0 73.6 74.3 38.4 0 0.0 0 0.0 0 0.0 0 0.0 10 63
72 A 72 ARG R G G < TS+ 0 0 -66.4 -14.5 179.8 84.7 82.6 48.3 69 -1.5 0 0.0 0 0.0 0 0.0 8 52
73 A 73 PHE F S h > X TS- 0 0 -92.4 140.6 -177.7 -120.5 88.6 136.5 70 -2.3 77 -2.5 0 0.0 76 -0.7 9 37
74 A 74 LYS K H H > 3 TS+ 0 0 -47.5 -41.3 -179.3 62.3 106.2 38.4 0 0.0 78 -3.1 0 0.0 0 0.0 7 28
75 A 75 LYS K H H 4 3 TS+ 0 0 -53.7 -50.4 -179.7 30.4 116.9 19.3 0 0.0 0 0.0 0 0.0 0 0.0 10 32
76 A 76 GLU E H H 4 X TS+ 0 0 -76.1 -38.0 179.3 56.8 117.6 31.4 73 -0.7 79 -1.3 0 0.0 0 0.0 14 47
77 A 77 PHE F H H < 3 TS+ 0 0 -59.8 -38.7 -179.4 45.7 111.0 29.1 73 -2.5 0 0.0 0 0.0 0 0.0 10 47
78 A 78 ASN N T h < 3 TS+ 0 0 -90.1 8.1 178.6 131.8 79.0 73.0 74 -3.1 0 0.0 0 0.0 0 0.0 8 33
79 A 79 ASP D g X T - 0 0 -61.1 127.6 179.7 -135.6 60.7 116.1 76 -1.3 82 -2.4 0 0.0 0 0.0 10 36
80 A 80 PRO P G G > TS+ 0 0 -54.9 -34.4 179.2 61.7 106.1 29.8 0 0.0 83 -1.8 0 0.0 0 0.0 6 35
81 A 81 SER S G G 3 TS+ 0 0 -65.0 -16.5 -179.7 53.2 102.0 49.5 0 0.0 0 0.0 0 0.0 0 0.0 9 42
82 A 82 ASN N G G X TS+ 0 0 -102.7 11.7 179.8 142.1 74.4 74.8 79 -2.4 85 -2.3 0 0.0 0 0.0 11 52
83 A 83 ALA A T g < TS+ 0 0 -56.9 123.0 -179.1 21.2 73.2 108.8 80 -1.8 0 0.0 0 0.0 0 0.0 10 42
84 A 84 GLY G T g > TS+ 0 0 106.2 -26.1 -179.4 100.3 93.7 88.9 0 0.0 87 -1.6 0 0.0 0 0.0 8 44
85 A 85 LEU L T h > X T + 0 0 -66.8 -17.2 178.6 81.0 62.1 47.8 82 -2.3 89 -2.1 0 0.0 88 -0.6 11 54
86 A 86 GLN Q H H > 3 TS+ 0 0 -57.2 -29.7 179.1 61.5 86.3 33.5 0 0.0 90 -2.7 0 0.0 0 0.0 9 44
87 A 87 ASN N H H > < TS+ 0 0 -63.5 -43.3 179.1 46.4 103.6 25.9 84 -1.6 91 -1.6 0 0.0 0 0.0 8 46
88 A 88 GLY G H H > < TS+ 0 0 -65.9 -39.5 179.9 50.9 112.7 26.3 85 -0.6 92 -1.8 0 0.0 0 0.0 12 56
89 A 89 PHE F H H X TS+ 0 0 -64.5 -43.2 179.9 51.1 108.1 24.3 85 -2.1 93 -1.2 0 0.0 0 0.0 9 54
90 A 90 LYS K H H < TS+ 0 0 -63.1 -34.9 178.6 53.6 108.4 30.5 86 -2.7 0 0.0 0 0.0 0 0.0 8 38
91 A 91 PHE F H H X TS+ 0 0 -65.3 -41.3 -179.0 49.5 108.7 26.8 87 -1.6 95 -0.5 0 0.0 0 0.0 9 51
92 A 92 LEU L H H X TS+ 0 0 -73.6 -18.2 -179.6 84.3 89.4 47.5 88 -1.8 96 -2.7 0 0.0 0 0.0 11 59
93 A 93 GLU E H H X TS+ 0 0 -52.2 -51.8 180.0 45.3 91.1 24.7 89 -1.2 97 -2.2 0 0.0 0 0.0 8 39
94 A 94 PRO P H H > TS+ 0 0 -62.1 -35.4 179.6 53.2 113.0 28.7 0 0.0 98 -2.0 0 0.0 0 0.0 8 33
95 A 95 ILE I H H X TS+ 0 0 -63.9 -46.6 -179.3 45.4 110.5 20.6 91 -0.5 99 -2.0 0 0.0 0 0.0 11 45
96 A 96 HIS H H H < TS+ 0 0 -67.3 -32.1 179.2 56.3 109.7 32.6 92 -2.7 0 0.0 0 0.0 0 0.0 11 37
97 A 97 LYS K H H < TS+ 0 0 -66.5 -38.2 179.9 43.4 110.8 25.5 93 -2.2 0 0.0 0 0.0 0 0.0 7 23
98 A 98 GLU E H H < TS+ 0 0 -76.2 -31.1 179.7 31.7 127.0 35.0 94 -2.0 0 0.0 0 0.0 0 0.0 6 27
99 A 99 PHE F h < > T + 0 0 -124.6 66.7 -179.6 162.0 69.0 121.8 95 -2.0 102 -1.8 0 0.0 0 0.0 8 36
100 A 100 PRO P T T 3 T + 0 0 -60.5 -15.6 -179.4 72.3 67.0 49.5 0 0.0 0 0.0 0 0.0 0 0.0 7 30
101 A 101 TRP W T T 3 TS+ 0 0 -74.7 -22.3 -179.7 92.2 75.8 46.8 0 0.0 0 0.0 0 0.0 0 0.0 6 37
102 A 102 ILE I S t < TS- 0 0 -76.6 138.7 179.3 -118.2 80.8 122.3 99 -1.8 0 0.0 0 0.0 0 0.0 9 50
103 A 103 SER S h > T - 0 0 -70.5 159.9 179.4 -115.7 21.2 110.7 0 0.0 107 -2.1 0 0.0 0 0.0 13 54
104 A 104 SER S H H > TS+ 0 0 -62.8 -44.7 179.0 51.5 115.6 23.6 0 0.0 108 -3.1 0 0.0 0 0.0 13 62
105 A 105 GLY G H H > TS+ 0 0 -59.7 -44.0 179.0 48.1 110.6 25.2 0 0.0 109 -2.3 0 0.0 0 0.0 15 72
106 A 106 ASP D H H > TS+ 0 0 -63.9 -39.6 179.8 47.5 114.2 26.7 0 0.0 110 -2.5 0 0.0 0 0.0 15 73
107 A 107 LEU L H H X TS+ 0 0 -67.5 -48.1 -179.7 48.5 111.7 19.7 103 -2.1 111 -2.2 0 0.0 0 0.0 11 67
108 A 108 PHE F H H X TS+ 0 0 -58.4 -47.6 -179.9 40.9 118.2 21.7 104 -3.1 112 -1.1 0 0.0 0 0.0 14 76
109 A 109 SER S H H X TS+ 0 0 -68.4 -42.9 179.8 52.6 113.2 24.2 105 -2.3 113 -2.0 0 0.0 0 0.0 15 78
110 A 110 LEU L H H X TS+ 0 0 -62.8 -32.6 178.4 60.2 103.0 32.4 106 -2.5 114 -2.9 0 0.0 0 0.0 11 79
111 A 111 GLY G H H X TS+ 0 0 -61.3 -40.4 179.2 46.5 106.4 25.4 107 -2.2 115 -2.4 0 0.0 0 0.0 14 77
112 A 112 GLY G H H X TS+ 0 0 -67.1 -46.1 179.0 48.4 112.7 22.2 108 -1.1 116 -2.5 0 0.0 0 0.0 15 79
113 A 113 VAL V H H X TS+ 0 0 -59.0 -46.4 179.9 48.4 113.2 21.7 109 -2.0 117 -2.3 0 0.0 0 0.0 12 73
114 A 114 THR T H H X TS+ 0 0 -60.3 -47.4 -179.6 50.1 111.1 21.8 110 -2.9 118 -3.0 0 0.0 0 0.0 11 68
115 A 115 ALA A H H X TS+ 0 0 -59.1 -48.5 179.3 48.3 111.0 21.3 111 -2.4 119 -2.1 0 0.0 0 0.0 15 71
116 A 116 VAL V H H < >TS+ 0 0 -59.3 -48.9 -179.3 43.6 115.8 19.4 112 -2.5 121 -2.6 0 0.0 0 0.0 14 71
117 A 117 GLN Q H H < >5TS+ 0 0 -64.8 -43.4 -179.8 50.4 113.3 22.8 113 -2.3 120 -1.5 0 0.0 0 0.0 12 57
118 A 118 GLU E H H < 35TS+ 0 0 -65.1 -29.2 178.7 59.4 104.4 32.7 114 -3.0 0 0.0 0 0.0 0 0.0 10 56
119 A 119 MET M T h < 35TS- 0 0 -87.0 23.9 177.9 -98.0 128.5 83.7 115 -2.1 198 -3.1 0 0.0 0 0.0 10 58
120 A 120 GLN Q T T <5TS+ 0 0 69.8 21.3 178.7 139.0 80.6 51.4 117 -1.5 0 0.0 0 0.0 0 0.0 9 43
121 A 121 GLY G t T - 0 0 -57.0 161.4 -180.0 -104.8 39.0 93.9 0 0.0 137 -2.2 0 0.0 0 0.0 8 29
135 A 135 GLU E G G > TS+ 0 0 -58.1 -30.6 -179.3 64.5 117.3 38.7 0 0.0 138 -1.5 0 0.0 0 0.0 7 27
136 A 136 ASP D G G 3 TS+ 0 0 -72.3 -10.6 178.7 61.2 93.7 54.4 0 0.0 0 0.0 0 0.0 0 0.0 4 23
137 A 137 THR T G G < TS+ 0 0 -92.8 -2.0 180.0 121.1 74.6 64.7 134 -2.2 0 0.0 0 0.0 0 0.0 10 42
138 A 138 THR T g < T - 0 0 -63.7 124.4 179.9 -122.3 67.8 117.3 135 -1.5 0 0.0 0 0.0 0 0.0 13 43
139 A 139 PRO P - 0 0 -69.6 147.8 179.4 -105.0 29.0 114.2 0 0.0 0 0.0 0 0.0 0 0.0 9 47
140 A 140 ASP D - 0 0 -67.4 160.5 178.5 -92.4 41.5 104.4 0 0.0 0 0.0 0 0.0 0 0.0 7 38
141 A 141 ASN N S S S+ 0 0 -68.2 159.1 178.6 61.6 99.7 106.6 0 0.0 0 0.0 0 0.0 0 0.0 10 35
142 A 142 GLY G + 0 0 101.2 5.9 179.9 103.2 67.2 59.6 0 0.0 0 0.0 0 0.0 0 0.0 7 33
143 A 143 ARG R + 0 0 -94.5 -12.5 179.5 82.9 63.2 56.4 0 0.0 0 0.0 0 0.0 0 0.0 8 44
144 A 144 LEU L S S S- 0 0 -89.2 155.2 -178.5 -90.4 90.0 128.9 0 0.0 0 0.0 0 0.0 0 0.0 9 52
145 A 145 PRO P - 0 0 -73.7 148.9 176.4 -127.4 24.8 105.9 0 0.0 0 0.0 0 0.0 0 0.0 8 47
146 A 146 ASP D - 0 0 -84.4 151.7 -178.3 -150.0 11.2 129.0 0 0.0 0 0.0 0 0.0 0 0.0 5 41
147 A 147 ALA A S S S+ 0 0 -100.0 -12.8 -178.3 72.5 84.1 56.6 0 0.0 234 -1.3 0 0.0 0 0.0 7 51
148 A 148 ASP D S S S+ 0 0 -92.8 28.4 -177.2 96.2 84.2 89.2 0 0.0 0 0.0 0 0.0 0 0.0 8 37
149 A 149 LYS K - 0 0 -113.7 179.8 -179.1 -114.3 65.9 122.0 0 0.0 0 0.0 0 0.0 0 0.0 9 31
150 A 150 ASP D h > T - 0 0 -106.9 -177.3 -179.4 -84.2 40.8 117.4 0 0.0 154 -2.2 0 0.0 0 0.0 9 36
151 A 151 ALA A H H > TS+ 0 0 -54.2 -40.8 179.7 56.2 124.3 36.7 0 0.0 155 -2.9 0 0.0 0 0.0 11 40
152 A 152 ASP D H H > TS+ 0 0 -60.5 -45.7 178.4 46.7 109.1 22.0 0 0.0 156 -2.5 0 0.0 0 0.0 6 33
153 A 153 TYR Y H H > TS+ 0 0 -61.9 -49.0 -179.8 48.7 113.3 22.8 0 0.0 157 -3.1 0 0.0 0 0.0 8 33
154 A 154 VAL V H H X TS+ 0 0 -57.8 -49.3 -179.9 48.4 112.0 19.7 150 -2.2 158 -2.5 0 0.0 0 0.0 11 45
155 A 155 ARG R H H X TS+ 0 0 -58.2 -48.9 -179.9 43.5 116.0 19.7 151 -2.9 159 -0.9 0 0.0 0 0.0 11 42
156 A 156 THR T H H X > TS+ 0 0 -63.9 -44.8 -179.7 54.1 111.6 22.2 152 -2.5 159 -0.9 0 0.0 160 -0.7 8 35
157 A 157 PHE F H H < > TS+ 0 0 -55.5 -50.1 -178.3 49.3 107.8 22.2 153 -3.1 160 -1.3 0 0.0 0 0.0 9 40
158 A 158 PHE F H H < >>TS+ 0 0 -68.9 -14.7 177.9 73.6 93.6 49.8 154 -2.5 163 -2.3 0 0.0 161 -0.7 11 50
159 A 159 GLN Q H H < X5TS+ 0 0 -67.4 -26.8 179.3 61.3 89.9 34.1 156 -0.9 162 -1.5 155 -0.9 0 0.0 9 34
160 A 160 ARG R T h < <5TS+ 0 0 -68.0 -26.3 178.9 46.4 105.5 39.9 157 -1.3 59 -2.2 156 -0.7 0 0.0 11 35
161 A 161 LEU L T T <5TS- 0 0 -96.9 10.6 -179.1 -114.3 119.9 77.6 158 -0.7 0 0.0 0 0.0 0 0.0 12 47
162 A 162 ASN N T T <5T + 0 0 57.3 40.0 178.8 145.6 67.6 30.9 159 -1.5 0 0.0 0 0.0 0 0.0 7 41
163 A 163 MET M t T - 0 0 -92.3 -177.4 -178.6 -81.5 40.8 107.2 0 0.0 168 -2.5 0 0.0 0 0.0 9 34
165 A 165 ASP D H H > TS+ 0 0 -52.4 -50.4 -179.3 46.8 128.8 25.6 0 0.0 169 -2.5 0 0.0 0 0.0 9 46
166 A 166 A ARG R H H > TS+ 0 0 -60.5 -45.6 179.9 49.7 112.2 22.2 0 0.0 170 -2.5 0 0.0 0 0.0 9 47
167 A 167 GLU E H H > TS+ 0 0 -62.2 -39.5 179.0 49.8 111.8 25.6 0 0.0 171 -2.7 0 0.0 0 0.0 11 47
168 A 168 VAL V H H X TS+ 0 0 -65.0 -50.0 -179.6 46.1 111.6 19.3 164 -2.5 172 -2.5 0 0.0 0 0.0 11 59
169 A 169 VAL V H H X TS+ 0 0 -61.4 -39.9 179.0 48.3 115.2 23.8 165 -2.5 173 -0.7 0 0.0 0 0.0 12 68
170 A 170 ALA A H H < > TS+ 0 0 -65.2 -47.7 179.8 48.8 111.8 20.1 166 -2.5 173 -1.0 0 0.0 0 0.0 13 63
171 A 171 LEU L H H < > TS+ 0 0 -60.1 -40.5 -179.7 58.6 104.5 26.8 167 -2.7 174 -2.1 0 0.0 0 0.0 10 66
172 A 172 MET M H H < > TS+ 0 0 -62.7 -21.7 178.9 79.4 86.7 41.7 168 -2.5 175 -2.4 0 0.0 0 0.0 8 75
173 A 173 GLY G G h < X T + 0 0 -59.6 -16.2 178.4 82.7 69.9 48.3 170 -1.0 176 -2.0 169 -0.7 0 0.0 11 72
174 A 174 ALA A G G X T + 0 0 -62.3 -15.5 178.3 81.4 69.7 46.9 171 -2.1 177 -1.9 0 0.0 0 0.0 9 76
175 A 175 HIS H G G < T + 0 0 -69.8 0.7 175.6 85.6 65.8 61.0 172 -2.4 0 0.0 0 0.0 0 0.0 9 67
176 A 176 THR T G G < TS+ 0 0 -72.8 -7.7 -180.0 70.6 87.6 56.1 173 -2.0 0 0.0 0 0.0 0 0.0 16 58
177 A 177 LEU L S g < TS- 0 0 -111.9 150.5 176.8 -20.3 100.4 147.1 174 -1.9 0 0.0 0 0.0 0 0.0 14 63
178 A 178 GLY G S e S- 0 0 60.8 -149.2 -177.5 -102.9 71.3 97.2 195 -2.8 191 -0.6 0 0.0 0 0.0 14 60
179 A 179 LYS K E E BB - 190 0 -166.3 170.3 177.1 -89.3 25.8 166.3 0 0.0 0 0.0 0 0.0 0 0.0 10 56
180 A 180 THR T E E BB - 189 0 -92.3 143.6 179.7 -151.5 34.6 135.5 189 -3.0 189 -2.0 0 0.0 0 0.0 11 56
181 A 181 HIS H h > > T - 0 0 -119.7 120.3 -177.6 -142.9 10.3 168.8 0 0.0 185 -2.3 0 0.0 184 -1.6 10 43
182 A 182 LEU L H H > 3 TS+ 0 0 -47.8 -45.7 -179.2 53.6 101.5 29.1 0 0.0 186 -1.7 0 0.0 0 0.0 10 32
183 A 183 LYS K H H 4 3 TS+ 0 0 -62.4 -29.1 -178.8 41.5 114.9 40.4 0 0.0 0 0.0 0 0.0 0 0.0 6 24
184 A 184 ASN N H H 4 < TS- 0 0 -86.0 -50.6 -176.0 -0.9 137.8 22.9 181 -1.6 0 0.0 0 0.0 0 0.0 9 35
185 A 185 SER S H H < TS- 0 0 -122.5 -8.2 -178.6 -105.4 92.7 61.8 181 -2.3 0 0.0 0 0.0 0 0.0 9 43
186 A 186 GLY G S h < TS+ 0 0 87.1 18.3 178.2 99.9 91.1 44.5 182 -1.7 0 0.0 0 0.0 0 0.0 11 34
187 A 187 TYR Y - 0 0 -133.7 146.6 -178.3 -158.1 55.4 166.3 0 0.0 0 0.0 0 0.0 0 0.0 14 44
188 A 188 GLU E + 0 0 -136.6 132.0 178.5 42.9 40.4 170.2 0 0.0 0 0.0 0 0.0 0 0.0 10 43
189 A 189 GLY G E E BB - 180 0 124.7 159.0 179.9 -81.0 69.8 116.3 180 -2.0 180 -3.0 0 0.0 0 0.0 10 51
190 A 190 PRO P E E BB - 179 0 -94.0 152.3 177.7 -145.0 17.5 129.2 0 0.0 230 -1.9 0 0.0 0 0.0 12 55
191 A 191 TRP W S e S+ 0 0 -82.4 -30.8 -179.2 20.4 88.1 39.0 178 -0.6 0 0.0 0 0.0 0 0.0 15 55
192 A 192 THR T - 0 0 -137.1 159.4 178.5 -130.6 67.5 159.3 0 0.0 0 0.0 0 0.0 0 0.0 12 49
193 A 193 ALA A S S S+ 0 0 -74.7 -40.8 179.9 52.2 107.9 28.9 0 0.0 195 -1.1 0 0.0 0 0.0 6 42
194 A 194 ASN N S t > TS+ 0 0 -93.7 59.3 -175.8 161.6 73.2 113.8 0 0.0 197 -1.9 0 0.0 0 0.0 7 38
195 A 195 ASN N T T 3 T + 0 0 -70.3 11.6 174.0 52.8 66.1 75.3 193 -1.1 178 -2.8 0 0.0 0 0.0 14 52
196 A 196 ASN N T T 3 TS+ 0 0 -127.0 19.6 176.5 84.3 93.8 84.8 0 0.0 0 0.0 0 0.0 0 0.0 12 50
197 A 197 VAL V S t < TS- 0 0 -121.7 121.1 179.9 -136.3 77.3 172.7 194 -1.9 199 -0.9 0 0.0 0 0.0 10 46
198 A 198 PHE F + 0 0 -82.9 106.8 179.2 122.3 53.5 135.7 119 -3.1 0 0.0 0 0.0 0 0.0 12 61
199 A 199 ASP D S S S- 0 0 -147.6 -173.3 -179.9 -87.1 75.4 146.4 197 -0.9 0 0.0 0 0.0 0 0.0 9 51
200 A 200 ASN N S h > > TS+ 0 0 -91.5 20.2 -179.6 115.4 83.6 80.1 0 0.0 204 -1.7 0 0.0 203 -0.8 12 50
201 A 201 SER S H H > 3 T + 0 0 -59.0 -30.4 179.3 67.5 65.1 39.1 0 0.0 205 -3.0 0 0.0 0 0.0 9 52
202 A 202 PHE F H H > 3 TS+ 0 0 -55.7 -45.0 -179.5 41.8 105.7 21.6 0 0.0 206 -2.0 0 0.0 0 0.0 13 67
203 A 203 TYR Y H H > < TS+ 0 0 -69.3 -44.8 179.4 51.3 113.9 22.6 200 -0.8 207 -2.2 0 0.0 0 0.0 12 61
204 A 204 LEU L H H X TS+ 0 0 -60.3 -42.8 179.7 46.5 112.2 25.2 200 -1.7 208 -2.9 0 0.0 0 0.0 10 48
205 A 205 ASN N H H X TS+ 0 0 -66.0 -43.1 179.9 54.2 109.5 22.0 201 -3.0 209 -2.5 0 0.0 0 0.0 10 51
206 A 206 LEU L H H < TS+ 0 0 -57.1 -42.7 -179.0 35.0 118.8 24.0 202 -2.0 0 0.0 0 0.0 0 0.0 10 55
207 A 207 LEU L H H < TS+ 0 0 -81.8 -37.1 -175.8 35.6 126.2 34.2 203 -2.2 0 0.0 0 0.0 0 0.0 8 43
208 A 208 ASN N H H < TS+ 0 0 -95.9 -21.3 -179.9 87.0 95.5 46.2 204 -2.9 0 0.0 0 0.0 0 0.0 6 35
209 A 209 GLU E S h < TS- 0 0 -79.1 159.9 177.7 -118.7 77.1 109.5 205 -2.5 211 -0.8 0 0.0 0 0.0 9 33
210 A 210 ASP D e - 0 0 -99.5 107.5 -178.1 -158.3 37.2 153.4 0 0.0 226 -0.6 0 0.0 0 0.0 7 26
211 A 211 TRP W E E CC - 225 0 -93.8 143.2 177.9 -166.4 12.8 134.2 209 -0.8 0 0.0 0 0.0 0 0.0 8 38
212 A 212 LYS K E E CC - 224 0 -126.4 128.4 178.9 -127.4 24.7 173.6 224 -2.0 224 -2.8 0 0.0 214 -0.9 7 31
213 A 213 LEU L E E CC + 223 0 -77.1 108.3 -178.3 159.9 49.2 135.5 0 0.0 0 0.0 0 0.0 0 0.0 8 35
214 A 214 GLU E E E CC - 222 0 -126.5 172.9 177.9 -112.0 40.9 135.5 222 -2.8 222 -2.6 212 -0.9 0 0.0 8 28
215 A 215 LYS K E E CC - 221 0 -110.7 130.1 179.1 -147.3 28.1 160.7 0 0.0 0 0.0 0 0.0 0 0.0 9 27
216 A 216 ASN N e > T - 0 0 -84.2 179.5 -179.2 -85.9 39.3 105.2 220 -2.8 219 -2.3 0 0.0 0 0.0 11 33
217 A 217 ASP D T T 3 TS+ 0 0 -63.2 -13.9 179.1 59.7 128.2 53.1 0 0.0 0 0.0 0 0.0 0 0.0 6 22
218 A 218 ALA A T T 3 TS- 0 0 -95.4 6.7 179.6 -111.7 119.0 72.6 0 0.0 0 0.0 0 0.0 0 0.0 8 22
219 A 219 ASN N S t < TS+ 0 0 68.3 29.9 179.1 131.0 76.2 41.1 216 -2.3 0 0.0 0 0.0 0 0.0 6 23
220 A 220 ASN N e - 0 0 -113.5 143.3 179.4 -115.7 59.3 151.7 0 0.0 216 -2.8 0 0.0 0 0.0 9 31
221 A 221 GLU E E E CC + 215 0 -80.1 138.2 177.8 160.4 41.3 126.5 0 0.0 0 0.0 0 0.0 0 0.0 10 35
222 A 222 GLN Q E E CC - 214 0 -152.3 152.3 179.8 -106.7 41.7 166.1 214 -2.6 214 -2.8 0 0.0 224 -0.5 13 45
223 A 223 TRP W E E CCD - 213 231 -87.0 125.4 -179.3 -170.2 39.1 141.4 231 -2.7 231 -2.0 0 0.0 0 0.0 13 49
224 A 224 ASP D E E CCD - 212 230 -119.4 146.0 178.5 -155.1 9.7 154.7 212 -2.8 212 -2.0 222 -0.5 0 0.0 13 40
225 A 225 SER S E E CC > T - 211 0 -117.1 153.5 179.4 -118.2 29.9 151.9 229 -2.3 228 -2.4 0 0.0 0 0.0 11 35
226 A 226 LYS K T e 3 TS+ 0 0 -55.7 -31.6 -179.4 67.1 112.5 38.0 210 -0.6 0 0.0 0 0.0 0 0.0 7 23
227 A 227 SER S T T 3 TS- 0 0 -69.6 -7.6 179.8 -103.0 122.4 58.0 0 0.0 0 0.0 0 0.0 0 0.0 5 26
228 A 228 GLY G S t < TS+ 0 0 93.6 18.4 178.6 127.7 79.7 46.5 225 -2.4 0 0.0 0 0.0 0 0.0 8 34
229 A 229 TYR Y e - 0 0 -101.7 166.8 178.4 -159.1 38.5 130.9 0 0.0 225 -2.3 0 0.0 0 0.0 12 46
230 A 230 MET M E E CD - 224 0 -143.2 160.5 178.5 -159.3 8.2 158.6 190 -1.9 0 0.0 0 0.0 0 0.0 12 58
231 A 231 MET M E E CD - 223 0 -141.1 136.8 178.1 -126.6 21.7 172.3 223 -2.0 223 -2.7 0 0.0 0 0.0 12 65
232 A 232 LEU L h > > T - 0 0 -77.2 157.0 179.0 -107.3 34.1 118.4 0 0.0 236 -2.6 0 0.0 235 -0.8 11 60
233 A 233 PRO P H H > 3 TS+ 0 0 -54.2 -32.7 179.1 54.2 124.5 29.5 0 0.0 237 -1.6 0 0.0 0 0.0 13 49
234 A 234 THR T H H 4 3 TS+ 0 0 -70.6 -31.6 177.9 47.7 108.2 35.0 147 -1.3 0 0.0 0 0.0 0 0.0 13 52
235 A 235 ASP D H H 4 X TS+ 0 0 -72.2 -45.6 -179.1 50.3 111.4 23.6 232 -0.8 238 -1.5 0 0.0 0 0.0 9 69
236 A 236 TYR Y H H X > TS+ 0 0 -62.3 -30.0 -179.9 70.0 96.7 33.8 232 -2.6 239 -2.2 0 0.0 240 -0.9 11 58
237 A 237 SER S H H X 3 TS+ 0 0 -60.7 -21.5 179.8 71.6 84.5 40.6 233 -1.6 241 -2.1 0 0.0 0 0.0 10 51
238 A 238 LEU L H H 4 < TS+ 0 0 -68.0 -21.8 178.0 37.7 104.8 42.7 235 -1.5 0 0.0 0 0.0 0 0.0 12 57
239 A 239 ILE I H H 4 < TS+ 0 0 -103.6 -9.5 178.8 57.6 112.8 55.6 236 -2.2 0 0.0 0 0.0 0 0.0 12 47
240 A 240 GLN Q H H < TS+ 0 0 -85.5 -34.7 179.4 73.0 94.7 38.9 236 -0.9 0 0.0 0 0.0 0 0.0 9 33
241 A 241 ASP D S h X TS- 0 0 -83.7 130.5 -179.6 -141.8 79.0 137.8 237 -2.1 245 -2.7 0 0.0 0 0.0 9 30
242 A 242 PRO P H H > TS+ 0 0 -58.8 -43.3 -178.4 47.3 99.8 29.0 0 0.0 246 -1.5 0 0.0 0 0.0 7 24
243 A 243 LYS K H H > TS+ 0 0 -67.7 -46.6 178.6 44.2 114.9 21.1 0 0.0 247 -1.2 0 0.0 0 0.0 7 29
244 A 244 TYR Y H H > TS+ 0 0 -64.4 -39.1 -179.0 61.3 108.2 25.5 0 0.0 248 -2.4 0 0.0 0 0.0 13 43
245 A 245 LEU L H H X TS+ 0 0 -55.6 -43.1 179.7 52.6 100.1 30.5 241 -2.7 249 -2.3 0 0.0 0 0.0 11 39
246 A 246 SER S H H X TS+ 0 0 -60.8 -41.0 -179.4 46.5 111.6 24.8 242 -1.5 250 -1.7 0 0.0 0 0.0 8 31
247 A 247 ILE I H H X TS+ 0 0 -70.2 -38.6 177.9 54.2 109.1 27.5 243 -1.2 251 -2.5 0 0.0 0 0.0 10 45
248 A 248 VAL V H H X TS+ 0 0 -59.4 -46.9 179.2 47.6 110.2 19.4 244 -2.4 252 -2.4 0 0.0 0 0.0 12 52
249 A 249 LYS K H H X TS+ 0 0 -62.1 -36.8 179.6 54.8 109.3 30.4 245 -2.3 253 -1.0 0 0.0 0 0.0 10 40
250 A 250 GLU E H H < TS+ 0 0 -64.2 -45.5 179.8 41.4 112.1 20.1 246 -1.7 0 0.0 0 0.0 0 0.0 8 41
251 A 251 TYR Y H H < > TS+ 0 0 -71.6 -32.7 179.4 58.4 109.8 32.2 247 -2.5 254 -0.8 0 0.0 0 0.0 13 47
252 A 252 ALA A H H < 3 TS+ 0 0 -66.6 -23.0 -178.4 38.7 114.9 43.0 248 -2.4 0 0.0 0 0.0 0 0.0 11 42
253 A 253 ASN N T h < 3 TS+ 0 0 -110.8 6.6 179.4 47.9 117.5 71.8 249 -1.0 0 0.0 0 0.0 0 0.0 6 29
254 A 254 ASP D h > < T + 0 0 -152.2 93.5 -179.2 179.4 53.0 132.5 251 -0.8 258 -2.0 0 0.0 0 0.0 8 30
255 A 255 GLN Q H H > TS+ 0 0 -59.9 -44.0 -179.5 50.9 86.4 26.7 0 0.0 259 -2.4 0 0.0 0 0.0 10 34
256 A 256 ASP D H H > TS+ 0 0 -64.1 -42.2 179.7 52.1 107.8 26.0 0 0.0 260 -2.6 0 0.0 0 0.0 6 29
257 A 257 LYS K H H > TS+ 0 0 -61.2 -44.0 178.6 49.2 110.0 23.5 0 0.0 261 -2.8 0 0.0 0 0.0 8 35
258 A 258 PHE F H H X TS+ 0 0 -60.2 -46.9 179.9 50.9 110.8 19.5 254 -2.0 262 -3.1 0 0.0 0 0.0 11 47
259 A 259 PHE F H H X TS+ 0 0 -56.8 -48.3 -179.5 44.0 113.3 21.8 255 -2.4 263 -2.5 0 0.0 0 0.0 10 49
260 A 260 LYS K H H X TS+ 0 0 -65.6 -43.0 179.5 45.7 117.0 23.4 256 -2.6 264 -2.0 0 0.0 0 0.0 9 40
261 A 261 ASP D H H X TS+ 0 0 -69.0 -38.3 179.3 48.1 114.0 26.9 257 -2.8 265 -2.5 0 0.0 0 0.0 10 44
262 A 262 PHE F H H X TS+ 0 0 -66.8 -44.4 -179.5 54.3 109.0 22.2 258 -3.1 266 -3.0 0 0.0 0 0.0 13 57
263 A 263 SER S H H X TS+ 0 0 -54.9 -47.9 179.0 43.3 112.5 22.5 259 -2.5 267 -2.0 0 0.0 0 0.0 12 55
264 A 264 LYS K H H X TS+ 0 0 -63.8 -50.3 -178.9 45.7 116.6 16.8 260 -2.0 268 -2.5 0 0.0 0 0.0 9 44
265 A 265 ALA A H H X TS+ 0 0 -63.2 -36.8 -179.8 49.9 113.1 31.0 261 -2.5 269 -2.5 0 0.0 0 0.0 11 47
266 A 266 PHE F H H X TS+ 0 0 -70.5 -41.3 178.2 47.5 111.6 25.4 262 -3.0 270 -2.5 0 0.0 0 0.0 10 65
267 A 267 GLU E H H X TS+ 0 0 -64.5 -42.9 179.4 49.6 113.2 20.5 263 -2.0 271 -1.1 0 0.0 0 0.0 11 65
268 A 268 LYS K H H X > TS+ 0 0 -58.8 -47.6 179.6 50.7 110.3 20.9 264 -2.5 272 -1.2 0 0.0 271 -0.8 8 53
269 A 269 LEU L H H < > TS+ 0 0 -54.8 -49.7 -179.3 47.3 111.5 22.9 265 -2.5 272 -0.7 0 0.0 0 0.0 11 64
270 A 270 LEU L H H < 3 TS+ 0 0 -69.7 -14.3 -179.2 44.8 116.7 51.8 266 -2.5 0 0.0 0 0.0 0 0.0 12 70
271 A 271 GLU E H H < X TS+ 0 0 -109.2 -6.1 179.2 128.1 77.9 61.0 267 -1.1 274 -2.1 268 -0.8 0 0.0 12 62
272 A 272 ASN N T h < < TS+ 0 0 -53.2 134.7 179.3 18.7 77.4 104.0 268 -1.2 0 0.0 269 -0.7 0 0.0 11 55
273 A 273 GLY G T e 3 TS+ 0 0 86.5 -7.4 -179.1 116.2 97.8 71.2 0 0.0 6 -0.7 0 0.0 0 0.0 13 53
274 A 274 ILE I E E Aa < T - 6 0 -101.2 130.7 177.7 -151.9 52.9 146.3 271 -2.1 276 -0.6 0 0.0 0 0.0 11 53
275 A 275 THR T E E Aa - 7 0 -98.6 118.2 178.6 -155.9 12.4 151.5 6 -3.6 8 -2.9 0 0.0 0 0.0 8 39
276 A 276 PHE F - 0 0 -98.3 117.5 179.8 -126.3 17.6 152.4 274 -0.6 0 0.0 0 0.0 0 0.0 7 33
277 A 277 PRO P t > T - 0 0 -57.8 152.6 -179.9 -116.1 20.6 104.4 0 0.0 280 -1.9 0 0.0 0 0.0 7 22
278 A 278 LYS K T T 3 TS+ 0 0 -62.7 -23.6 -179.2 53.3 118.2 44.2 0 0.0 0 0.0 0 0.0 0 0.0 4 16
279 A 279 ASP D T T 3 TS+ 0 0 -90.9 -3.3 179.5 117.7 84.9 65.2 0 0.0 0 0.0 0 0.0 0 0.0 4 16
280 A 280 ALA A S t < TS- 0 0 -62.7 148.8 179.7 -95.5 75.9 105.9 277 -1.9 0 0.0 0 0.0 0 0.0 8 27
281 A 281 PRO P - 0 0 -64.6 156.8 178.6 -98.2 45.3 104.2 0 0.0 0 0.0 0 0.0 0 0.0 5 30
282 A 282 SER S - 0 0 -67.8 161.9 179.5 -75.4 56.0 105.2 0 0.0 0 0.0 0 0.0 0 0.0 5 27
283 A 283 PRO P - 0 0 -60.3 140.9 179.0 -123.9 51.3 111.7 0 0.0 0 0.0 0 0.0 0 0.0 8 42
284 A 284 PHE F B B A - 126 0 -88.2 141.5 176.6 -158.8 15.4 132.2 126 -3.4 126 -2.6 0 0.0 286 -0.6 8 42
285 A 285 ILE I - 0 0 -120.6 101.6 -178.3 -149.8 20.4 161.1 0 0.0 0 0.0 0 0.0 0 0.0 8 43
286 A 286 PHE F - 0 0 -76.7 143.8 178.1 -124.1 9.2 118.9 284 -0.6 0 0.0 0 0.0 0 0.0 8 48
287 A 287 LYS K - 0 0 -83.4 144.0 178.8 -118.6 28.3 126.5 0 0.0 0 0.0 0 0.0 0 0.0 8 40
288 A 288 THR T h > T - 0 0 -76.4 165.1 177.8 -107.7 26.1 114.2 0 0.0 292 -1.8 0 0.0 0 0.0 10 44
289 A 289 LEU L H H > >TS+ 0 0 -57.0 -43.8 179.8 54.5 123.1 20.2 0 0.0 294 -2.6 0 0.0 293 -0.7 11 34
290 A 290 GLU E H H 4 >5TS+ 0 0 -57.7 -44.3 179.7 49.3 106.3 27.0 0 0.0 293 -0.9 0 0.0 0 0.0 7 27
291 A 291 GLU E H H 4 35TS+ 0 0 -67.0 -28.7 179.6 48.5 113.0 36.2 0 0.0 0 0.0 0 0.0 0 0.0 7 23
292 A 292 GLN Q H H < 35TS- 0 0 -87.6 -6.6 -179.3 -121.3 112.2 60.6 288 -1.8 0 0.0 0 0.0 0 0.0 7 21
293 A 293 GLY G T h < <5T 0 0 71.1 23.5 179.8 999.9 999.9 40.2 290 -0.9 0 0.0 289 -0.7 0 0.0 5 14
294 A 294 LEU L t 5555< 5-turns
3-turns >33<>33< >3><3<>33< >33X33<>33< >33X>33X<>X3<< >3 3-turns
bridge-2 bridge-2
bridge-1 aa bridge-1
sheets AA sheets
4-turns >>>>XXXXXXXXXXX<<<< >>44<< >>>>XXXXXX<<<< >444< >>44<< >>>>XX<<<< 4-turns
summary EEe tTTthHHHHHHHHHHHHHHHHHhThHHHHhthHHHHHHHHHHHHhTttTTTt SStTTgGGGhHHHHhgGGGgghHHHHHHHHHHHHHhT summary
sequence TTPLVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWHTSGTWDKHDNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFP sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand TS HHHHHHHHHHHHHHHTT B GGG S S SS HHHHHHHHHTTT HHHHHHHHGGGGSSEE HHHHS EES SSTTS SS Kabs/Sand
chirality +--+++++++++++++++-+-------++-----+++---+++---++--++++++++++-+--++++++++++++-----++--+-+--+-++++-+-+ chirality
bends SS SSSSSSSSSSSSSSSSS SSS S S SS SSSSSSSSSSS SSSSSSSS SSS SSSSS S SS SS SS bends
turns TTTTTTTTTTTTTTTTTTTTT TTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTT TTTT T turns
5-turns >5555< >5555< 5-turns
3-turns 3< >33< >>3<< >>>X<<< >>>XX<<< >33< >33< > 3-turns
bridge-2 bridge-2
bridge-1 A BB BB bridge-1
sheets BB BB sheets
4-turns >>>>XXXXXXXXX<<<< >>>>XXX<<<< >>>>XX<<<< >>44<< > 4-turns
summary TthHHHHHHHHHHHHHHHhTt B gGGGg S S SS hHHHHHHHHHhTTthHHHHHHHHhGGGgeEEhHHHHh EEe StTTt Sh summary
sequence WISSGDLFSLGGVTAVQEMQGPKIPWRCGRVDTPEDTTPDNGRLPDADKDADYVRTFFQRLNMNDREVVALMGAHTLGKTHLKNSGYEGPWTANNNVFDN sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHS EEEEE TTS EEEEETTS EE HHHHHHHHSHHHHHHHHHHHT HHHHHHHHHHHHHHHHHTTEE TTS B HHHHT Kabs/Sand
chirality ++++++++----+---+-+-+----+-+----++++++++-++++++++++++++++++++++++++++++++----++---------+++- chirality
bends SSSSSSSS SSS SSS SSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSS SSS SSSS bends
turns TTTTTTTTT TTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTT turns
5-turns >5555< 5-turns
3-turns 33< >33< >33< >33X>3<< >33< >>3X<3< >33< >33< 3-turns
bridge-2 DD bridge-2
bridge-1 CCCCC CCCCC DD aa A bridge-1
sheets CCCCC CCCCC CC AA sheets
4-turns >>>XX<<<< >>44XX44>>XXXXX<<<<>>>>XXXXXXXXXXX<<<< >>44<< 4-turns
summary HHHHHHHHheEEEEEeTTteEEEEEeTteEEhHHHHHHHHhHHHHHHHHHHHhhHHHHHHHHHHHHHHHHHheEE tTTt B hHHHHht summary
sequence SFYLNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKEYANDQDKFFKDFSKAFEKLLENGITFPKDAPSPFIFKTLEEQGL sequence
210 220 230 240 250 260 270 280 290