Secondary structure calculation program - copyright by David Keith Smith, 1989
1yrgA.pdb
1YRG TRANSCRIPTION MOL_ID: 1; MOL_ID: 1;
Sequence length - 343
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 A 2 ALA A e 0 0 999.9 5.9 179.1 999.9 999.9 999.9 0 0.0 34 -2.4 0 0.0 35 -1.5 6 31
2 A 3 ARG R E E Aa - 35 0 -145.6 106.8 -179.1 -173.5 999.9 145.7 0 0.0 0 0.0 0 0.0 0 0.0 7 35
3 A 4 PHE F E E Aa + 36 0 -102.4 127.7 -179.7 165.4 14.8 145.9 35 -2.6 37 -2.8 0 0.0 0 0.0 10 39
4 A 5 SER S E E Aa + 37 0 -146.4 143.6 178.3 170.6 32.5 176.5 0 0.0 0 0.0 0 0.0 0 0.0 7 43
5 A 6 ILE I e > T + 0 0 -134.7 32.0 -179.1 175.2 36.0 100.3 37 -1.7 8 -1.7 0 0.0 0 0.0 11 38
6 A 7 GLU E T T 3 T - 0 0 -47.5 131.7 178.4 -10.7 62.8 96.0 0 0.0 0 0.0 0 0.0 0 0.0 9 33
7 A 8 GLY G T T 3 TS+ 0 0 50.4 21.7 179.4 132.3 84.9 53.0 39 -2.1 0 0.0 0 0.0 0 0.0 9 27
8 A 9 LYS K t < T - 0 0 -77.3 -3.5 179.5 -136.3 63.5 59.0 5 -1.7 0 0.0 0 0.0 0 0.0 7 26
9 A 10 SER S + 0 0 49.8 44.7 -179.9 173.5 38.1 29.7 40 -2.1 11 -0.6 0 0.0 0 0.0 7 27
10 A 11 LEU L e - 0 0 -86.9 121.1 178.5 -143.4 29.2 136.7 0 0.0 42 -2.2 0 0.0 12 -1.0 8 37
11 A 12 LYS K E E Bb - 42 0 -84.7 105.2 -177.4 -175.5 24.3 138.2 9 -0.6 13 -0.7 0 0.0 0 0.0 8 35
12 A 13 LEU L E E Bb + 43 0 -110.8 85.1 177.9 155.5 28.4 135.5 42 -2.7 44 -3.5 10 -1.0 0 0.0 10 43
13 A 14 ASP D S S S- 0 0 -69.9 -28.1 -179.5 -11.8 87.6 35.4 11 -0.7 47 -1.4 0 0.0 46 -0.5 10 37
14 A 15 ALA A S S S- 0 0 -166.5 152.5 179.5 -98.0 78.6 164.8 0 0.0 16 -0.9 0 0.0 0 0.0 11 35
15 A 16 ILE I - 0 0 -83.1 107.4 -179.4 -141.3 45.7 135.9 0 0.0 0 0.0 0 0.0 0 0.0 11 36
16 A 17 THR T h > T - 0 0 -66.0 153.4 179.9 -113.7 21.1 105.0 14 -0.9 20 -2.4 0 0.0 0 0.0 6 25
17 A 18 THR T H H > TS+ 0 0 -58.3 -25.1 -179.9 57.0 116.1 37.3 0 0.0 21 -0.7 0 0.0 0 0.0 6 20
18 A 19 GLU E H H 4 > TS+ 0 0 -68.3 -77.3 -179.5 31.1 112.4 4.3 0 0.0 21 -2.3 0 0.0 0 0.0 7 18
19 A 20 ASP D H H 4 >>TS+ 0 0 -55.4 -26.0 178.6 71.8 109.1 40.4 0 0.0 22 -1.4 0 0.0 24 -1.4 10 28
20 A 21 GLU E H H < 35TS+ 0 0 -56.7 -33.9 -178.7 44.3 102.3 29.1 16 -2.4 0 0.0 0 0.0 0 0.0 10 33
21 A 22 LYS K T h < <5TS+ 0 0 -88.9 -4.9 179.4 16.9 133.2 62.4 18 -2.3 0 0.0 17 -0.7 0 0.0 8 20
22 A 23 SER S T T X5TS+ 0 0 -127.1 -85.4 -179.2 40.5 122.9 62.5 19 -1.4 25 -2.7 0 0.0 0 0.0 7 22
23 A 24 VAL V T T 35TS+ 0 0 -35.8 -62.6 -178.4 26.5 131.2 30.9 0 0.0 0 0.0 0 0.0 0 0.0 8 36
24 A 25 PHE F T h > 3 X TS+ 0 0 -47.3 -46.7 -179.2 52.6 74.7 26.5 22 -2.7 29 -2.2 0 0.0 28 -1.1 10 30
26 A 27 VAL V H H > 3 TS+ 0 0 -57.3 -53.0 179.4 59.1 99.3 20.2 0 0.0 30 -1.4 0 0.0 0 0.0 8 34
27 A 28 LEU L H H 4 3 TS+ 0 0 -49.3 -20.7 -178.5 44.4 113.7 43.1 0 0.0 0 0.0 0 0.0 0 0.0 11 43
28 A 29 LEU L H H < < TS+ 0 0 -91.6 -54.9 -177.5 36.4 116.3 22.4 25 -1.1 0 0.0 24 -0.9 0 0.0 8 37
29 A 30 GLU E H H < TS+ 0 0 -85.9 9.6 -179.6 57.0 114.1 70.8 25 -2.2 0 0.0 0 0.0 0 0.0 6 26
30 A 31 ASP D h < T + 0 0 -146.3 121.0 -179.3 174.9 44.1 159.9 26 -1.4 0 0.0 0 0.0 0 0.0 7 30
31 A 32 ASP D S S S+ 0 0 -101.8 1.0 -179.9 81.9 72.3 67.1 0 0.0 60 -0.7 0 0.0 0 0.0 10 35
32 A 33 SER S + 0 0 -79.1 -14.7 -179.2 137.6 59.1 49.7 0 0.0 0 0.0 0 0.0 0 0.0 9 30
33 A 34 VAL V + 0 0 -37.1 117.1 -179.7 177.7 27.3 90.9 0 0.0 0 0.0 0 0.0 0 0.0 13 39
34 A 35 LYS K e + 0 0 -97.6 -24.5 -177.7 38.3 64.6 46.3 1 -2.4 62 -3.3 0 0.0 63 -1.9 11 38
35 A 36 GLU E E E Aac - 2 63 -133.4 143.4 179.8 -171.0 58.8 167.5 1 -1.5 3 -2.6 0 0.0 0 0.0 12 44
36 A 37 ILE I E E Aac - 3 64 -138.5 116.2 -179.7 -173.6 1.8 161.6 63 -1.6 65 -2.3 0 0.0 38 -0.5 13 56
37 A 38 VAL V E E Aac + 4 65 -112.0 121.2 -179.6 156.4 18.5 160.2 3 -2.8 5 -1.7 0 0.0 0 0.0 11 50
38 A 39 LEU L e + 0 0 -119.1 -5.6 -178.9 131.4 31.5 66.2 65 -2.6 0 0.0 36 -0.5 0 0.0 13 56
39 A 40 SER S + 0 0 -52.4 143.0 178.5 41.6 57.1 97.0 65 -0.8 7 -2.1 0 0.0 0 0.0 12 44
40 A 41 GLY G S S S+ 0 0 93.0 20.8 -179.7 84.4 98.7 47.2 68 -2.5 9 -2.1 0 0.0 0 0.0 13 33
41 A 42 ASN N S S S- 0 0 -139.4 -179.1 179.7 -114.4 75.5 140.4 68 -1.0 71 -0.6 0 0.0 0 0.0 17 41
42 A 43 THR T E E BbA - 11 70 -129.8 103.9 -177.9 -159.2 26.4 154.1 10 -2.2 12 -2.7 0 0.0 44 -0.7 15 49
43 A 44 ILE I E E Bb - 12 0 -90.6 110.5 178.6 -163.7 6.6 136.1 69 -2.8 0 0.0 0 0.0 0 0.0 13 57
44 A 45 GLY G h > T - 0 0 -78.5 179.0 -179.3 -90.9 37.8 100.3 12 -3.5 48 -2.2 42 -0.7 0 0.0 14 43
45 A 46 THR T H H > TS+ 0 0 -59.1 -63.0 -179.8 44.0 121.4 12.6 0 0.0 49 -2.8 0 0.0 0 0.0 11 40
46 A 47 GLU E H H > TS+ 0 0 -50.4 -45.3 179.7 53.1 112.9 27.1 13 -0.5 50 -2.2 0 0.0 0 0.0 10 34
47 A 48 ALA A H H > TS+ 0 0 -54.3 -53.0 179.3 48.2 110.2 16.2 13 -1.4 51 -2.7 0 0.0 0 0.0 12 47
48 A 49 ALA A H H X TS+ 0 0 -50.8 -55.5 179.8 55.0 108.1 17.9 44 -2.2 52 -3.7 0 0.0 0 0.0 14 50
49 A 50 ARG R H H X TS+ 0 0 -47.3 -41.2 179.5 46.3 110.0 32.4 45 -2.8 53 -1.0 0 0.0 0 0.0 11 38
50 A 51 TRP W H H X > TS+ 0 0 -68.5 -47.7 179.6 45.9 114.8 20.7 46 -2.2 54 -1.4 0 0.0 53 -0.6 10 43
51 A 52 LEU L H H X 3 TS+ 0 0 -60.0 -40.9 -179.8 66.2 103.9 27.2 47 -2.7 55 -1.2 0 0.0 0 0.0 9 63
52 A 53 SER S H H X 3 TS+ 0 0 -50.2 -39.8 -178.9 43.8 103.7 33.9 48 -3.7 56 -1.2 0 0.0 0 0.0 12 46
53 A 54 GLU E H H < < TS+ 0 0 -78.9 -35.3 179.7 46.1 115.7 29.7 49 -1.0 0 0.0 50 -0.6 0 0.0 9 40
54 A 55 ASN N H H < TS+ 0 0 -85.0 -3.8 179.2 51.1 112.7 61.1 50 -1.4 0 0.0 0 0.0 0 0.0 10 49
55 A 56 ILE I H H < > TS+ 0 0 -98.5 -34.1 -179.8 61.6 100.5 42.1 51 -1.2 58 -1.3 0 0.0 0 0.0 10 56
56 A 57 ALA A T h < 3 TS+ 0 0 -66.0 -17.0 -179.8 55.1 101.3 47.9 52 -1.2 0 0.0 0 0.0 0 0.0 11 40
57 A 58 SER S T T 3 TS+ 0 0 -92.9 -9.7 -179.7 93.5 80.3 56.1 0 0.0 59 -2.0 0 0.0 0 0.0 8 39
58 A 59 LYS K t X T + 0 0 -84.5 72.4 -177.9 170.5 49.1 120.2 55 -1.3 61 -2.4 0 0.0 0 0.0 12 43
59 A 60 LYS K T T 3 TS+ 0 0 -63.0 -5.5 179.3 55.7 73.7 59.4 57 -2.0 0 0.0 0 0.0 0 0.0 11 35
60 A 61 ASP D T T 3 TS+ 0 0 -108.5 6.4 179.6 133.1 76.5 72.2 31 -0.7 0 0.0 0 0.0 0 0.0 12 34
61 A 62 LEU L t < T + 0 0 -59.8 131.5 -179.7 162.5 19.4 110.4 58 -2.4 0 0.0 0 0.0 0 0.0 15 51
62 A 63 GLU E e + 0 0 -122.0 -28.2 -177.7 45.6 59.8 51.9 34 -3.3 97 -2.4 0 0.0 96 -1.6 11 44
63 A 64 ILE I E E Acd - 35 97 -128.6 129.7 179.4 -172.3 53.2 170.0 34 -1.9 36 -1.6 0 0.0 65 -0.5 11 49
64 A 65 ALA A E E Acd - 36 98 -122.2 93.2 -179.7 -173.0 4.5 149.6 97 -2.5 99 -2.6 0 0.0 66 -1.4 13 63
65 A 66 GLU E E E Acd + 37 99 -87.8 88.4 -179.1 147.1 26.5 134.6 36 -2.3 38 -2.6 63 -0.5 39 -0.8 13 52
66 A 67 PHE F e + 0 0 -112.7 26.2 179.8 135.3 21.1 89.3 99 -2.1 0 0.0 64 -1.4 0 0.0 13 66
67 A 68 SER S + 0 0 -74.4 148.1 178.1 12.3 69.6 116.8 0 0.0 0 0.0 0 0.0 0 0.0 12 51
68 A 69 ASP D S S S+ 0 0 51.5 67.6 179.2 131.6 81.1 16.2 101 -3.2 40 -2.5 0 0.0 41 -1.0 13 48
69 A 70 ILE I + 0 0 -131.7 16.7 -179.0 53.7 63.0 79.8 0 0.0 43 -2.8 0 0.0 0 0.0 13 61
70 A 71 PHE F B B A > T + 42 0 -134.2 9.5 -179.4 145.9 63.6 73.6 0 0.0 73 -2.4 0 0.0 0 0.0 12 53
71 A 72 THR T T T 3 TS+ 0 0 -56.1 115.9 -179.6 20.8 75.9 108.5 41 -0.6 0 0.0 0 0.0 0 0.0 8 41
72 A 73 GLY G T T 3 TS+ 0 0 106.3 -3.6 -179.8 117.9 97.6 68.9 0 0.0 0 0.0 0 0.0 0 0.0 5 30
73 A 74 ARG R S t < TS- 0 0 -99.7 146.3 179.7 -98.9 74.7 137.4 70 -2.4 0 0.0 0 0.0 0 0.0 9 36
74 A 75 VAL V g > > T - 0 0 -64.8 120.7 -179.2 -128.1 33.0 116.6 0 0.0 77 -3.0 0 0.0 78 -0.8 6 28
75 A 76 LYS K G G 4 > TS+ 0 0 -31.9 -61.6 -177.5 48.5 105.8 34.0 0 0.0 78 -1.4 0 0.0 0 0.0 8 34
76 A 77 ASP D G G 4 3 TS+ 0 0 -73.8 15.9 179.0 57.2 106.5 75.9 0 0.0 0 0.0 0 0.0 0 0.0 8 30
77 A 78 GLU E G G 4 < TS+ 0 0 -117.2 -13.3 179.7 79.9 85.3 60.2 74 -3.0 0 0.0 0 0.0 0 0.0 7 35
78 A 79 ILE I S h X X TS+ 0 0 -64.7 -32.4 -179.4 80.4 73.2 38.1 75 -1.4 82 -2.6 74 -0.8 81 -0.5 14 49
79 A 80 PRO P H H > 3 TS+ 0 0 -45.9 -50.3 -178.6 53.1 86.7 30.2 0 0.0 83 -3.0 0 0.0 0 0.0 11 43
80 A 81 GLU E H H > 3 TS+ 0 0 -57.3 -43.2 179.9 42.6 113.6 25.3 0 0.0 84 -1.8 0 0.0 0 0.0 8 44
81 A 82 ALA A H H > < TS+ 0 0 -69.3 -43.0 -179.3 51.9 114.1 21.6 78 -0.5 85 -2.3 0 0.0 0 0.0 13 55
82 A 83 LEU L H H X TS+ 0 0 -60.0 -43.0 179.2 48.7 109.9 25.2 78 -2.6 86 -2.9 0 0.0 0 0.0 12 64
83 A 84 ARG R H H X TS+ 0 0 -63.7 -41.3 179.5 50.0 111.4 26.8 79 -3.0 87 -2.0 0 0.0 0 0.0 10 50
84 A 85 LEU L H H X TS+ 0 0 -65.1 -39.2 -179.9 42.3 115.9 29.5 80 -1.8 88 -0.8 0 0.0 0 0.0 11 45
85 A 86 LEU L H H X > TS+ 0 0 -72.6 -55.5 -179.7 46.4 115.7 13.8 81 -2.3 89 -2.3 0 0.0 88 -0.9 12 62
86 A 87 LEU L H H X 3 TS+ 0 0 -56.8 -34.5 180.0 55.3 109.7 33.6 82 -2.9 90 -2.1 0 0.0 0 0.0 11 66
87 A 88 GLN Q H H < 3 TS+ 0 0 -69.6 -28.1 179.5 49.3 108.2 34.7 83 -2.0 0 0.0 0 0.0 0 0.0 10 48
88 A 89 ALA A H H < X TS+ 0 0 -74.8 -43.9 179.2 51.1 109.0 23.3 85 -0.9 91 -1.3 84 -0.8 0 0.0 12 50
89 A 90 LEU L H H < > TS+ 0 0 -59.2 -39.1 -179.4 66.6 99.3 27.5 85 -2.3 92 -2.7 0 0.0 0 0.0 11 60
90 A 91 LEU L T h < 3 TS+ 0 0 -54.7 -26.1 -180.0 56.2 96.4 40.4 86 -2.1 0 0.0 0 0.0 0 0.0 10 50
91 A 92 LYS K T T < TS+ 0 0 -87.6 0.7 -179.8 95.0 84.5 64.0 88 -1.3 0 0.0 0 0.0 0 0.0 8 40
92 A 93 CYS C t X T - 0 0 -97.9 103.3 -179.3 -162.6 59.7 145.6 89 -2.7 95 -1.1 0 0.0 0 0.0 14 44
93 A 94 PRO P T T 3 TS+ 0 0 -61.6 -11.2 -179.4 40.2 85.7 58.8 0 0.0 0 0.0 0 0.0 0 0.0 9 39
94 A 95 LYS K T T 3 TS+ 0 0 -118.6 -2.3 -179.3 125.9 75.3 64.6 0 0.0 96 -0.8 0 0.0 0 0.0 9 42
95 A 96 LEU L t < T + 0 0 -60.8 102.5 -178.1 156.8 24.0 115.2 92 -1.1 0 0.0 0 0.0 0 0.0 14 54
96 A 97 HIS H e + 0 0 -106.3 -16.9 -179.4 51.3 54.5 50.6 62 -1.6 125 -3.0 94 -0.8 124 -3.0 10 48
97 A 98 THR T E E Ade + 63 125 -126.9 128.8 179.6 169.7 58.0 169.3 62 -2.4 64 -2.5 0 0.0 0 0.0 13 49
98 A 99 VAL V E E Ade - 64 126 -142.4 125.2 -178.8 -166.9 11.2 166.6 125 -2.1 127 -2.2 0 0.0 0 0.0 13 59
99 A 100 ARG R E E Ade + 65 127 -115.3 133.6 -178.6 161.9 18.7 159.2 64 -2.6 66 -2.1 0 0.0 0 0.0 11 53
100 A 101 LEU L e + 0 0 -137.6 30.9 -179.2 146.0 29.5 95.6 127 -2.7 0 0.0 0 0.0 0 0.0 12 64
101 A 102 SER S + 0 0 -70.4 164.3 178.5 30.7 55.4 100.6 0 0.0 68 -3.2 0 0.0 0 0.0 12 51
102 A 103 ASP D S S S+ 0 0 55.4 43.2 179.7 125.0 87.6 28.3 129 -3.2 0 0.0 0 0.0 0 0.0 11 45
103 A 104 ASN N - 0 0 -134.5 125.2 -178.9 -127.1 63.7 174.9 130 -0.6 105 -1.1 0 0.0 0 0.0 12 55
104 A 105 ALA A - 0 0 -77.2 99.5 -179.6 -174.7 29.2 128.3 0 0.0 106 -0.9 0 0.0 0 0.0 10 50
105 A 106 PHE F - 0 0 -99.9 99.7 179.4 -172.1 5.2 145.6 131 -1.2 0 0.0 103 -1.1 0 0.0 12 58
106 A 107 GLY G h > T - 0 0 -79.5 -179.1 179.9 -78.1 47.2 99.8 104 -0.9 110 -1.1 0 0.0 0 0.0 10 44
107 A 108 PRO P H H > TS+ 0 0 -48.0 -41.9 -179.8 49.3 132.8 31.9 0 0.0 111 -0.6 0 0.0 0 0.0 7 34
108 A 109 THR T H H 4 TS+ 0 0 -69.4 -38.2 179.1 57.9 103.4 27.4 0 0.0 0 0.0 0 0.0 0 0.0 8 32
109 A 110 ALA A H H > TS+ 0 0 -62.8 -21.3 -179.3 77.4 92.8 42.4 0 0.0 113 -1.5 0 0.0 0 0.0 12 46
110 A 111 GLN Q H H X TS+ 0 0 -53.2 -62.5 -177.5 61.0 81.1 16.9 106 -1.1 114 -3.0 0 0.0 0 0.0 12 47
111 A 112 GLU E H H X TS+ 0 0 -35.0 -64.0 -180.0 43.1 107.3 32.2 107 -0.6 115 -3.0 0 0.0 0 0.0 8 40
112 A 113 PRO P H H > TS+ 0 0 -50.8 -46.5 -179.3 48.7 118.0 22.3 0 0.0 116 -2.7 0 0.0 0 0.0 11 43
113 A 114 LEU L H H X TS+ 0 0 -57.8 -50.5 -179.8 45.2 113.0 24.1 109 -1.5 117 -2.6 0 0.0 0 0.0 12 58
114 A 115 ILE I H H X TS+ 0 0 -63.4 -40.0 179.9 52.1 112.6 28.8 110 -3.0 118 -2.1 0 0.0 0 0.0 11 49
115 A 116 ASP D H H X TS+ 0 0 -60.4 -56.6 179.2 43.2 113.8 12.4 111 -3.0 119 -0.8 0 0.0 0 0.0 9 41
116 A 117 PHE F H H X > TS+ 0 0 -52.0 -67.2 -178.7 47.5 114.5 12.9 112 -2.7 119 -2.3 0 0.0 120 -2.3 11 57
117 A 118 LEU L H H < 3 TS+ 0 0 -47.3 -38.1 -178.5 53.8 110.1 34.9 113 -2.6 0 0.0 0 0.0 0 0.0 11 62
118 A 119 SER S H H < 3 TS+ 0 0 -76.7 -10.8 -178.6 31.5 119.5 51.1 114 -2.1 0 0.0 0 0.0 0 0.0 12 48
119 A 120 LYS K H H < < TS+ 0 0 -117.3 -26.8 -177.7 98.1 85.3 45.7 116 -2.3 121 -2.0 115 -0.8 0 0.0 10 47
120 A 121 HIS H h < > T + 0 0 -72.6 81.4 -179.0 175.6 44.4 116.0 116 -2.3 123 -1.6 0 0.0 0 0.0 9 54
121 A 122 THR T T T 3 TS+ 0 0 -60.2 -25.2 179.4 63.3 71.0 47.1 119 -2.0 0 0.0 0 0.0 0 0.0 11 46
122 A 123 PRO P T T 3 TS+ 0 0 -77.7 -9.4 179.7 122.1 75.7 46.7 0 0.0 0 0.0 0 0.0 0 0.0 11 48
123 A 124 LEU L t < T + 0 0 -53.3 120.6 179.4 156.1 23.6 106.4 120 -1.6 0 0.0 0 0.0 0 0.0 13 61
124 A 125 GLU E e + 0 0 -117.2 -32.4 -178.9 37.2 63.8 47.2 96 -3.0 161 -3.0 0 0.0 162 -2.5 11 52
125 A 126 HIS H E E Aef - 97 162 -130.9 116.9 -178.7 -172.5 65.5 164.0 96 -3.0 98 -2.1 0 0.0 0 0.0 11 53
126 A 127 LEU L E E Aef - 98 163 -113.4 129.3 178.8 -171.5 5.5 156.9 162 -2.7 164 -2.7 0 0.0 128 -0.5 11 61
127 A 128 TYR Y E E Aef + 99 164 -122.3 111.5 -178.0 155.5 18.6 161.3 98 -2.2 100 -2.7 0 0.0 0 0.0 13 56
128 A 129 LEU L e + 0 0 -134.5 67.7 -177.3 158.0 19.4 124.2 164 -3.5 0 0.0 126 -0.5 0 0.0 13 61
129 A 130 HIS H + 0 0 -103.4 132.4 178.6 1.8 56.3 144.4 0 0.0 102 -3.2 0 0.0 0 0.0 12 49
130 A 131 ASN N S S S+ 0 0 61.4 75.5 -179.6 132.5 72.9 6.5 166 -2.6 103 -0.6 0 0.0 0 0.0 13 43
131 A 132 ASN N - 0 0 -133.0 7.5 -179.5 -119.0 69.1 77.2 0 0.0 105 -1.2 0 0.0 0 0.0 12 56
132 A 133 GLY G + 0 0 53.5 38.2 -179.3 158.8 55.2 32.2 167 -0.8 0 0.0 0 0.0 0 0.0 10 46
133 A 134 LEU L h > T - 0 0 -57.8 -50.6 -179.0 -160.6 27.4 21.9 0 0.0 137 -0.8 0 0.0 0 0.0 14 53
134 A 135 GLY G H H > T - 0 0 83.9 162.5 -179.5 -69.9 39.0 90.5 168 -2.1 138 -3.5 0 0.0 0 0.0 10 41
135 A 136 PRO P H H > TS+ 0 0 -57.5 -43.0 179.8 56.6 130.6 30.7 0 0.0 139 -2.5 0 0.0 0 0.0 12 40
136 A 137 GLN Q H H > TS+ 0 0 -53.5 -61.5 -179.1 30.8 119.7 9.7 0 0.0 140 -1.3 0 0.0 0 0.0 9 35
137 A 138 ALA A H H X TS+ 0 0 -66.4 -38.7 178.8 68.2 110.9 27.3 133 -0.8 141 -2.6 0 0.0 0 0.0 10 46
138 A 139 GLY G H H X TS+ 0 0 -44.7 -49.0 -180.0 43.8 104.6 24.1 134 -3.5 142 -2.0 0 0.0 0 0.0 13 58
139 A 140 ALA A H H X TS+ 0 0 -67.2 -36.0 179.6 58.7 107.6 32.1 135 -2.5 143 -2.8 0 0.0 0 0.0 14 49
140 A 141 LYS K H H X TS+ 0 0 -61.7 -39.0 179.2 47.3 107.7 25.5 136 -1.3 144 -2.4 0 0.0 0 0.0 10 47
141 A 142 ILE I H H X TS+ 0 0 -65.9 -47.2 179.8 49.1 111.9 18.9 137 -2.6 145 -2.4 0 0.0 0 0.0 11 62
142 A 143 ALA A H H X TS+ 0 0 -57.5 -42.0 -179.5 51.5 111.0 26.5 138 -2.0 146 -1.4 0 0.0 0 0.0 13 62
143 A 144 ARG R H H X > TS+ 0 0 -61.4 -49.5 179.7 49.7 108.8 18.1 139 -2.8 147 -1.6 0 0.0 146 -0.5 11 44
144 A 145 ALA A H H X 3 TS+ 0 0 -57.5 -41.1 179.5 55.2 107.2 27.8 140 -2.4 148 -1.8 0 0.0 0 0.0 12 47
145 A 146 LEU L H H X 3 TS+ 0 0 -63.5 -31.7 178.2 57.0 102.0 33.3 141 -2.4 149 -2.0 0 0.0 0 0.0 11 60
146 A 147 GLN Q H H X < TS+ 0 0 -64.8 -38.5 178.7 50.5 106.3 22.4 142 -1.4 150 -1.6 143 -0.5 0 0.0 12 48
147 A 148 GLU E H H X TS+ 0 0 -64.0 -37.7 179.1 57.5 104.9 29.3 143 -1.6 151 -2.4 0 0.0 0 0.0 10 41
148 A 149 LEU L H H X TS+ 0 0 -58.5 -45.7 -179.8 53.7 102.8 20.3 144 -1.8 152 -2.9 0 0.0 0 0.0 13 49
149 A 150 ALA A H H X TS+ 0 0 -57.1 -42.1 178.9 49.8 108.6 25.2 145 -2.0 153 -2.8 0 0.0 0 0.0 11 48
150 A 151 VAL V H H X TS+ 0 0 -61.3 -49.5 179.4 45.3 113.1 18.0 146 -1.6 154 -2.4 0 0.0 0 0.0 8 35
151 A 152 ASN N H H X TS+ 0 0 -63.2 -35.9 178.1 52.4 112.2 31.4 147 -2.4 155 -2.7 0 0.0 0 0.0 11 32
152 A 153 LYS K H H X >TS+ 0 0 -65.1 -48.6 179.6 48.7 109.6 18.3 148 -2.9 157 -1.6 0 0.0 156 -0.9 13 38
153 A 154 LYS K H H < >5TS+ 0 0 -56.6 -42.7 180.0 47.6 114.1 24.5 149 -2.8 156 -0.5 0 0.0 0 0.0 8 27
154 A 155 ALA A H H < 35TS+ 0 0 -62.6 -52.0 -178.0 38.9 118.0 18.2 150 -2.4 0 0.0 0 0.0 0 0.0 7 20
155 A 156 LYS K H H < 35TS- 0 0 -83.1 4.4 -180.0 -124.0 105.6 67.6 151 -2.7 0 0.0 0 0.0 0 0.0 7 21
156 A 157 ASN N T h < <5T + 0 0 57.8 32.4 -179.0 164.9 53.0 36.6 152 -0.9 0 0.0 153 -0.5 0 0.0 6 23
157 A 158 ALA A t T + 0 0 -73.7 -33.1 177.4 168.0 23.4 32.9 0 0.0 174 -1.5 0 0.0 0 0.0 16 55
171 A 172 GLU E T T 4 T - 0 0 50.9 -170.7 178.7 -55.0 57.1 79.5 196 -3.1 0 0.0 0 0.0 0 0.0 13 50
172 A 173 ASN N T T 4 > TS+ 0 0 -71.8 -26.6 -179.2 74.1 125.1 40.0 0 0.0 175 -1.0 0 0.0 0 0.0 13 48
173 A 174 GLY G T T 4 > TS+ 0 0 -52.2 -61.1 -178.8 36.4 100.0 19.3 0 0.0 176 -0.7 0 0.0 0 0.0 10 36
174 A 175 SER S T h X 3 TS+ 0 0 -77.5 5.5 -178.8 96.6 93.8 66.4 170 -1.5 178 -2.5 0 0.0 0 0.0 13 47
175 A 176 MET M H H > < TS+ 0 0 -66.2 -38.2 179.2 51.2 78.5 29.9 172 -1.0 179 -2.2 0 0.0 0 0.0 14 55
176 A 177 LYS K H H > < TS+ 0 0 -65.8 -33.2 -178.9 48.3 114.1 25.2 173 -0.7 180 -1.4 0 0.0 0 0.0 12 42
177 A 178 GLU E H H > TS+ 0 0 -71.4 -44.1 178.9 49.1 110.0 23.6 0 0.0 181 -1.9 0 0.0 0 0.0 10 44
178 A 179 TRP W H H X TS+ 0 0 -64.3 -34.8 178.5 59.5 104.8 32.0 174 -2.5 182 -2.3 0 0.0 0 0.0 13 61
179 A 180 ALA A H H X TS+ 0 0 -58.5 -44.1 -179.8 48.9 105.8 20.6 175 -2.2 183 -1.7 0 0.0 0 0.0 14 51
180 A 181 LYS K H H X TS+ 0 0 -61.8 -40.1 178.6 56.7 107.4 23.4 176 -1.4 184 -1.5 0 0.0 0 0.0 12 42
181 A 182 THR T H H X TS+ 0 0 -56.6 -45.0 -180.0 46.2 107.5 25.0 177 -1.9 185 -1.0 0 0.0 0 0.0 13 56
182 A 183 PHE F H H < TS+ 0 0 -70.3 -26.5 176.9 58.9 106.1 37.5 178 -2.3 0 0.0 0 0.0 0 0.0 12 59
183 A 184 GLN Q H H < TS+ 0 0 -67.5 -29.1 -178.7 51.8 106.5 32.7 179 -1.7 0 0.0 0 0.0 0 0.0 12 44
184 A 185 SER S H H < TS+ 0 0 -78.8 -26.8 180.0 42.9 112.3 40.6 180 -1.5 0 0.0 0 0.0 0 0.0 8 49
185 A 186 HIS H h < > T + 0 0 -122.6 73.1 -178.0 158.6 60.4 126.5 181 -1.0 188 -1.2 0 0.0 0 0.0 11 56
186 A 187 ARG R T T 3 T + 0 0 -76.2 6.4 179.4 66.6 68.5 69.2 0 0.0 0 0.0 0 0.0 0 0.0 10 47
187 A 188 LEU L T T 3 TS+ 0 0 -112.1 17.4 179.4 133.1 71.3 80.3 0 0.0 0 0.0 0 0.0 0 0.0 11 46
188 A 189 LEU L t < T - 0 0 -67.6 149.0 179.1 -174.6 33.7 109.0 185 -1.2 0 0.0 0 0.0 0 0.0 14 55
189 A 190 HIS H e + 0 0 -110.1 -42.0 -177.1 33.9 68.7 41.8 161 -2.8 218 -2.9 0 0.0 219 -2.8 10 45
190 A 191 THR T E E Agh + 162 219 -127.0 126.5 177.9 170.6 55.9 167.4 161 -2.7 163 -2.4 0 0.0 0 0.0 12 49
191 A 192 VAL V E E Agh + 163 220 -136.4 123.1 -178.8 177.1 3.0 171.3 219 -2.7 221 -2.1 0 0.0 0 0.0 13 60
192 A 193 LYS K E E Agh + 164 221 -130.4 97.8 -179.6 165.4 9.8 148.8 163 -2.3 165 -1.7 0 0.0 194 -0.6 12 58
193 A 194 MET M e + 0 0 -112.2 66.0 -178.4 170.4 23.9 123.0 221 -1.5 0 0.0 0 0.0 0 0.0 12 70
194 A 195 VAL V + 0 0 -80.5 146.6 178.0 1.8 54.1 116.6 192 -0.6 167 -3.1 0 0.0 0 0.0 12 54
195 A 196 GLN Q S S S+ 0 0 46.8 53.6 -179.5 137.9 77.2 28.9 223 -2.5 169 -0.6 0 0.0 0 0.0 13 46
196 A 197 ASN N - 0 0 -111.2 17.9 -179.9 -116.8 69.4 80.3 0 0.0 171 -3.1 0 0.0 0 0.0 13 51
197 A 198 GLY G + 0 0 53.5 30.4 178.2 164.0 55.7 36.1 224 -0.6 0 0.0 0 0.0 0 0.0 11 47
198 A 199 ILE I - 0 0 -79.2 141.7 -179.6 -152.1 22.0 128.2 0 0.0 226 -1.6 0 0.0 0 0.0 13 54
199 A 200 ARG R h > > T - 0 0 -108.2 175.1 -179.6 -79.2 32.5 122.8 0 0.0 203 -2.8 0 0.0 202 -0.6 11 45
200 A 201 PRO P H H > 3 TS+ 0 0 -37.6 -59.0 -179.1 46.7 126.2 32.7 0 0.0 204 -3.1 0 0.0 0 0.0 11 45
201 A 202 GLU E H H > 3 TS+ 0 0 -58.0 -39.4 179.8 46.4 116.4 28.7 0 0.0 205 -2.2 0 0.0 0 0.0 9 38
202 A 203 GLY G H H > < TS+ 0 0 -69.6 -44.2 179.5 48.6 112.2 23.8 199 -0.6 206 -2.9 0 0.0 0 0.0 13 49
203 A 204 ILE I H H X TS+ 0 0 -60.8 -43.7 180.0 52.4 111.4 21.9 199 -2.8 207 -2.5 0 0.0 0 0.0 16 62
204 A 205 GLU E H H X TS+ 0 0 -55.7 -54.6 -179.4 42.3 113.1 16.3 200 -3.1 208 -2.6 0 0.0 0 0.0 15 51
205 A 206 HIS H H H X TS+ 0 0 -60.8 -42.1 -179.5 54.5 112.0 27.7 201 -2.2 209 -2.6 0 0.0 0 0.0 13 45
206 A 207 LEU L H H X >TS+ 0 0 -59.4 -44.1 -179.5 43.0 113.7 22.9 202 -2.9 211 -1.8 0 0.0 210 -0.8 13 62
207 A 208 LEU L H H < >TS+ 0 0 -66.7 -56.9 -177.9 32.3 123.4 14.8 203 -2.5 212 -2.1 0 0.0 0 0.0 13 63
208 A 209 LEU L H H < 5TS+ 0 0 -73.8 -35.4 -177.4 36.9 127.7 33.2 204 -2.6 0 0.0 0 0.0 0 0.0 12 41
209 A 210 GLU E H H < 5TS+ 0 0 -98.0 -4.1 -178.6 11.5 133.3 59.0 205 -2.6 0 0.0 0 0.0 0 0.0 12 39
210 A 211 GLY G T h < >5TS+ 0 0 -131.4 -86.3 -179.5 37.6 121.5 61.6 206 -0.8 213 -3.1 0 0.0 0 0.0 15 54
211 A 212 LEU L G G > T + 0 0 -94.6 -56.4 -175.6 172.3 12.3 23.9 253 -2.8 231 -2.2 225 -0.6 0 0.0 14 58
228 A 229 THR T H H > T - 0 0 64.2 -169.3 -179.4 -53.1 67.0 97.5 254 -2.5 232 -1.9 253 -0.7 0 0.0 12 45
229 A 230 HIS H H H > TS+ 0 0 -61.9 -48.0 -179.4 62.2 137.8 18.7 0 0.0 233 -3.2 0 0.0 0 0.0 11 41
230 A 231 LEU L H H > TS+ 0 0 -40.4 -69.6 179.9 36.4 109.9 23.3 0 0.0 234 -1.9 0 0.0 0 0.0 11 37
231 A 232 GLY G H H X TS+ 0 0 -56.2 -38.2 -179.6 58.8 113.8 30.6 227 -2.2 235 -3.2 0 0.0 0 0.0 15 54
232 A 233 SER S H H X TS+ 0 0 -58.1 -45.7 179.4 49.9 104.9 20.9 228 -1.9 236 -2.4 0 0.0 0 0.0 15 56
233 A 234 SER S H H X TS+ 0 0 -58.2 -42.8 179.8 51.0 110.8 23.8 229 -3.2 237 -2.0 0 0.0 0 0.0 12 42
234 A 235 ALA A H H X TS+ 0 0 -58.4 -55.0 -179.9 47.8 110.0 13.1 230 -1.9 238 -2.3 0 0.0 0 0.0 13 50
235 A 236 LEU L H H X TS+ 0 0 -55.3 -33.2 -179.5 60.0 106.4 35.2 231 -3.2 239 -2.4 0 0.0 0 0.0 12 65
236 A 237 ALA A H H X TS+ 0 0 -61.4 -49.3 -180.0 42.5 108.4 16.5 232 -2.4 240 -0.5 0 0.0 0 0.0 13 48
237 A 238 ILE I H H < > TS+ 0 0 -64.1 -39.5 -178.4 50.9 115.2 28.4 233 -2.0 240 -0.5 0 0.0 0 0.0 9 40
238 A 239 ALA A H H < > TS+ 0 0 -68.4 -42.4 -178.8 79.3 87.7 27.5 234 -2.3 241 -4.2 0 0.0 0 0.0 12 50
239 A 240 LEU L H H < > TS+ 0 0 -35.6 -42.2 -179.5 62.5 85.4 39.8 235 -2.4 242 -1.6 0 0.0 0 0.0 11 57
240 A 241 LYS K T h < < TS+ 0 0 -64.9 -11.3 -179.5 64.9 94.1 50.0 237 -0.5 0 0.0 236 -0.5 0 0.0 9 42
241 A 242 SER S T T < TS+ 0 0 -83.9 -17.9 -178.3 62.9 93.7 46.2 238 -4.2 0 0.0 0 0.0 0 0.0 9 45
242 A 243 TRP W t X T + 0 0 -111.3 74.6 -179.9 158.1 51.4 130.4 239 -1.6 245 -1.5 0 0.0 0 0.0 13 48
243 A 244 PRO P T T 3 TS+ 0 0 -66.3 -23.6 -178.9 52.0 80.1 40.5 0 0.0 274 -0.5 0 0.0 0 0.0 11 42
244 A 245 ASN N T T 3 TS+ 0 0 -96.6 11.5 -178.7 141.2 79.2 74.2 0 0.0 0 0.0 0 0.0 0 0.0 11 41
245 A 246 LEU L t < T + 0 0 -60.9 126.0 178.9 162.5 15.7 109.5 242 -1.5 0 0.0 0 0.0 0 0.0 13 52
246 A 247 ARG R e + 0 0 -111.0 -37.4 -179.1 34.9 63.4 45.0 218 -2.7 276 -2.7 0 0.0 277 -2.3 10 45
247 A 248 GLU E E E Aij + 219 277 -131.4 125.1 179.0 179.9 52.9 166.1 218 -2.8 220 -2.5 0 0.0 249 -0.5 12 48
248 A 249 LEU L E E Aij - 220 278 -122.2 114.3 -180.0 -166.3 10.7 166.0 277 -2.1 279 -2.5 0 0.0 250 -0.7 11 62
249 A 250 GLY G E E Aij + 221 279 -106.0 107.8 -179.9 150.6 25.5 152.7 220 -3.1 222 -2.7 247 -0.5 0 0.0 12 57
250 A 251 LEU L e > T + 0 0 -124.2 32.8 180.0 152.9 18.8 94.8 279 -2.4 253 -0.8 248 -0.7 0 0.0 13 68
251 A 252 ASN N T T 3 TS+ 0 0 -68.7 136.7 -179.5 1.6 72.5 115.4 0 0.0 224 -3.0 0 0.0 0 0.0 12 55
252 A 253 ASP D T T 3 TS+ 0 0 54.5 50.5 179.6 130.5 89.7 21.1 281 -3.4 0 0.0 0 0.0 0 0.0 12 48
253 A 254 CYS C t < T - 0 0 -113.7 7.2 -179.4 -131.9 64.9 69.5 250 -0.8 227 -2.8 0 0.0 228 -0.7 14 59
254 A 255 LEU L + 0 0 40.1 59.8 179.1 168.5 39.4 22.7 282 -1.1 228 -2.5 0 0.0 0 0.0 11 51
255 A 256 LEU L - 0 0 -66.4 -32.8 -178.4 -136.1 38.4 33.6 0 0.0 0 0.0 0 0.0 0 0.0 16 58
256 A 257 SER S h > T - 0 0 85.6 153.0 -179.2 -83.6 22.6 78.6 283 -1.5 260 -3.7 0 0.0 0 0.0 11 47
257 A 258 ALA A H H > TS+ 0 0 -54.0 -48.8 179.6 41.2 131.8 25.1 0 0.0 261 -1.6 0 0.0 0 0.0 11 45
258 A 259 ARG R H H > TS+ 0 0 -68.9 -37.8 179.6 51.3 116.1 28.7 0 0.0 262 -1.5 0 0.0 0 0.0 9 39
259 A 260 GLY G H H > > TS+ 0 0 -63.6 -49.9 -179.6 47.7 110.0 16.3 0 0.0 263 -2.4 0 0.0 262 -0.6 14 49
260 A 261 ALA A H H X 3 TS+ 0 0 -60.1 -32.0 179.8 54.5 109.6 34.0 256 -3.7 264 -2.5 0 0.0 0 0.0 14 59
261 A 262 ALA A H H X 3 TS+ 0 0 -71.5 -29.8 179.0 51.0 107.2 35.4 257 -1.6 265 -1.7 0 0.0 0 0.0 10 49
262 A 263 ALA A H H X < TS+ 0 0 -69.7 -49.3 179.8 47.4 111.2 18.9 258 -1.5 266 -2.4 259 -0.6 0 0.0 11 45
263 A 264 VAL V H H X TS+ 0 0 -58.9 -45.7 179.2 49.7 111.6 24.6 259 -2.4 267 -2.1 0 0.0 0 0.0 12 58
264 A 265 VAL V H H X TS+ 0 0 -62.3 -38.1 179.8 51.3 111.0 25.8 260 -2.5 268 -1.6 0 0.0 0 0.0 12 57
265 A 266 ASP D H H X TS+ 0 0 -65.7 -39.8 179.8 52.5 106.7 25.5 261 -1.7 269 -0.7 0 0.0 0 0.0 10 42
266 A 267 ALA A H H < > TS+ 0 0 -61.8 -43.4 178.8 51.8 108.3 22.2 262 -2.4 269 -1.3 0 0.0 0 0.0 12 44
267 A 268 PHE F H H < > TS+ 0 0 -60.2 -35.6 -178.9 61.5 101.3 31.2 263 -2.1 270 -1.6 0 0.0 0 0.0 10 54
268 A 269 SER S H H < 3 TS+ 0 0 -65.7 -18.7 -178.9 54.1 101.8 45.1 264 -1.6 0 0.0 0 0.0 0 0.0 8 37
269 A 270 LYS K T h < < TS+ 0 0 -96.2 0.8 -179.5 95.9 89.8 63.4 266 -1.3 0 0.0 265 -0.7 0 0.0 6 33
270 A 271 LEU L t < T - 0 0 -98.3 138.4 -179.3 -149.4 60.3 139.6 267 -1.6 0 0.0 0 0.0 0 0.0 9 35
271 A 272 GLU E S S S+ 0 0 -104.3 149.3 178.9 16.3 74.9 137.3 0 0.0 0 0.0 0 0.0 0 0.0 5 28
272 A 273 ASN N S S S- 0 0 65.1 22.2 179.0 -174.0 75.7 47.1 0 0.0 0 0.0 0 0.0 0 0.0 7 27
273 A 274 ILE I - 0 0 -50.1 108.3 178.3 -176.4 11.7 106.3 0 0.0 303 -0.5 0 0.0 0 0.0 12 43
274 A 275 GLY G + 0 0 -96.2 21.7 -179.6 149.8 28.5 84.9 243 -0.5 0 0.0 0 0.0 0 0.0 12 40
275 A 276 LEU L + 0 0 -57.2 130.7 179.0 175.3 21.0 106.9 0 0.0 0 0.0 0 0.0 0 0.0 12 52
276 A 277 GLN Q e + 0 0 -107.4 -43.8 179.3 30.7 63.1 36.3 246 -2.7 305 -3.7 0 0.0 306 -2.3 11 41
277 A 278 THR T E E Ajk - 247 306 -126.0 134.3 -178.4 -179.2 56.4 169.6 246 -2.3 248 -2.1 0 0.0 0 0.0 12 43
278 A 279 LEU L E E Ajk - 248 307 -133.0 105.0 -178.8 -165.7 8.2 158.8 306 -2.5 308 -2.0 0 0.0 280 -0.6 13 59
279 A 280 ARG R E E Ajk + 249 308 -97.8 115.8 -179.1 155.0 22.1 147.4 248 -2.5 250 -2.4 0 0.0 0 0.0 12 52
280 A 281 LEU L e + 0 0 -130.8 33.3 179.5 154.6 17.2 93.9 308 -2.6 0 0.0 278 -0.6 0 0.0 13 67
281 A 282 GLN Q + 0 0 -66.4 143.6 178.7 3.9 65.6 110.0 0 0.0 252 -3.4 0 0.0 0 0.0 12 52
282 A 283 TYR Y S S S+ 0 0 47.1 65.9 179.6 130.9 82.0 20.0 310 -1.9 254 -1.1 0 0.0 0 0.0 13 48
283 A 284 ASN N S S S- 0 0 -128.3 15.1 179.4 -110.5 77.5 79.2 0 0.0 256 -1.5 0 0.0 0 0.0 15 56
284 A 285 GLU E + 0 0 60.0 26.4 -179.8 171.5 58.6 40.4 0 0.0 0 0.0 0 0.0 0 0.0 12 45
285 A 286 ILE I - 0 0 -68.9 139.7 -179.5 -150.5 16.9 116.1 0 0.0 313 -1.5 0 0.0 0 0.0 16 53
286 A 287 GLU E B h > b > T - 313 0 -116.1 161.6 -177.1 -93.6 26.2 140.6 0 0.0 289 -1.6 0 0.0 290 -1.4 10 46
287 A 288 LEU L H H > 3 TS+ 0 0 -35.8 -55.7 -179.0 56.1 115.3 39.3 313 -0.7 291 -2.1 0 0.0 0 0.0 10 42
288 A 289 ASP D H H > 3 TS+ 0 0 -54.3 -36.1 179.8 48.8 107.6 33.4 0 0.0 292 -1.8 0 0.0 0 0.0 6 35
289 A 290 ALA A H H > < TS+ 0 0 -70.0 -40.2 179.8 51.5 110.6 25.4 286 -1.6 293 -3.6 0 0.0 0 0.0 12 46
290 A 291 VAL V H H X TS+ 0 0 -64.9 -33.9 178.3 52.8 107.6 33.7 286 -1.4 294 -2.1 0 0.0 0 0.0 10 59
291 A 292 ARG R H H X TS+ 0 0 -66.8 -43.5 179.2 42.1 114.4 23.6 287 -2.1 295 -1.4 0 0.0 0 0.0 9 43
292 A 293 THR T H H X TS+ 0 0 -66.4 -47.1 -179.8 55.0 111.7 21.5 288 -1.8 296 -2.4 0 0.0 0 0.0 10 38
293 A 294 LEU L H H X TS+ 0 0 -53.5 -40.5 -178.6 57.7 104.0 29.0 289 -3.6 297 -2.4 0 0.0 0 0.0 9 58
294 A 295 LYS K H H X TS+ 0 0 -60.9 -48.2 179.4 41.8 108.0 24.0 290 -2.1 298 -2.8 0 0.0 0 0.0 11 54
295 A 296 THR T H H X TS+ 0 0 -67.2 -36.4 179.0 55.7 113.7 24.1 291 -1.4 299 -3.3 0 0.0 0 0.0 9 38
296 A 297 VAL V H H X TS+ 0 0 -60.2 -38.9 -179.5 43.7 111.0 26.6 292 -2.4 300 -2.5 0 0.0 0 0.0 12 44
297 A 298 ILE I H H X TS+ 0 0 -69.3 -49.5 -178.5 48.3 115.3 15.3 293 -2.4 301 -2.1 0 0.0 0 0.0 10 56
298 A 299 ASP D H H < TS+ 0 0 -59.3 -38.9 -179.3 28.5 125.5 30.0 294 -2.8 0 0.0 0 0.0 0 0.0 10 46
299 A 300 GLU E H H < TS+ 0 0 -98.1 -21.8 -177.4 24.1 134.5 42.7 295 -3.3 0 0.0 0 0.0 0 0.0 7 33
300 A 301 LYS K H H < TS+ 0 0 -130.1 11.2 178.2 60.5 108.9 68.7 296 -2.5 0 0.0 0 0.0 0 0.0 12 38
301 A 302 MET M h < > T + 0 0 -136.6 69.6 -179.8 159.2 49.0 124.4 297 -2.1 304 -1.2 0 0.0 0 0.0 13 47
302 A 303 PRO P T T 3 TS+ 0 0 -65.8 -18.1 -178.1 49.8 75.9 47.2 0 0.0 0 0.0 0 0.0 0 0.0 9 41
303 A 304 ASP D T T 3 TS+ 0 0 -106.2 8.1 -179.1 135.2 74.3 68.5 273 -0.5 0 0.0 0 0.0 0 0.0 9 40
304 A 305 LEU L t < T + 0 0 -61.3 127.6 179.5 167.4 18.9 109.9 301 -1.2 0 0.0 0 0.0 0 0.0 14 49
305 A 306 LEU L e + 0 0 -108.4 -37.2 -178.8 32.8 62.5 43.3 276 -3.7 335 -0.7 0 0.0 0 0.0 9 39
306 A 307 PHE F E E Akl + 277 335 -134.2 133.0 179.0 178.6 52.3 170.3 276 -2.3 278 -2.5 0 0.0 0 0.0 12 45
307 A 308 LEU L E E Akl - 278 336 -131.0 119.6 179.4 -169.2 8.2 171.7 335 -2.2 337 -2.0 0 0.0 309 -0.5 13 56
308 A 309 GLU E E E Ak + 279 0 -112.5 121.1 -179.6 148.1 24.3 162.6 278 -2.0 280 -2.6 0 0.0 0 0.0 10 53
309 A 310 LEU L t > T + 0 0 -134.0 8.5 -179.4 134.8 25.1 75.7 307 -0.5 312 -1.0 0 0.0 0 0.0 12 62
310 A 311 ASN N T T 3 T + 0 0 -61.4 154.6 179.4 34.0 62.5 100.8 0 0.0 282 -1.9 0 0.0 0 0.0 13 44
311 A 312 GLY G T T 3 TS+ 0 0 80.6 4.5 -179.3 126.8 91.3 60.0 0 0.0 0 0.0 0 0.0 0 0.0 13 40
312 A 313 ASN N S t < TS- 0 0 -93.1 177.1 -178.6 -91.7 72.6 108.2 309 -1.0 343 -2.5 0 0.0 314 -1.4 14 47
313 A 314 ARG R B B b S+ 286 0 -86.4 61.4 177.5 69.9 93.0 115.6 285 -1.5 287 -0.7 0 0.0 0 0.0 10 40
314 A 315 PHE F S S S- 0 0 -164.8 161.5 -177.5 -94.0 81.2 163.2 312 -1.4 0 0.0 0 0.0 0 0.0 10 42
315 A 316 SER S t > T - 0 0 -91.1 147.5 177.8 -136.0 13.7 126.4 0 0.0 318 -1.6 0 0.0 0 0.0 7 35
316 A 317 GLU E T T 3 TS+ 0 0 -66.8 -16.7 -178.5 60.3 108.8 47.5 0 0.0 0 0.0 0 0.0 0 0.0 8 35
317 A 318 GLU E T T 3 TS+ 0 0 -94.1 1.9 178.1 115.6 76.1 66.7 0 0.0 0 0.0 0 0.0 0 0.0 5 28
318 A 319 ASP D S h > X TS- 0 0 -72.1 139.9 -177.9 -114.9 78.5 120.2 315 -1.6 321 -1.6 0 0.0 322 -0.7 9 31
319 A 320 ASP D H H > 3 TS+ 0 0 -51.6 -19.8 178.8 67.0 109.7 50.0 0 0.0 323 -0.8 0 0.0 0 0.0 6 24
320 A 321 VAL V H H > > TS+ 0 0 -68.6 -38.6 -178.4 63.7 91.5 24.0 0 0.0 324 -3.1 0 0.0 323 -0.8 9 39
321 A 322 VAL V H H > < TS+ 0 0 -50.0 -52.6 179.4 40.6 107.0 22.5 318 -1.6 325 -2.3 0 0.0 0 0.0 9 45
322 A 323 ASP D H H X 3 TS+ 0 0 -72.4 -14.2 178.4 56.4 113.6 46.8 318 -0.7 326 -0.8 0 0.0 0 0.0 8 33
323 A 324 GLU E H H X < TS+ 0 0 -80.0 -40.5 177.8 45.7 108.1 29.1 320 -0.8 327 -1.6 319 -0.8 0 0.0 9 34
324 A 325 ILE I H H X TS+ 0 0 -66.1 -43.1 179.2 52.3 112.3 24.1 320 -3.1 328 -1.8 0 0.0 0 0.0 11 50
325 A 326 ARG R H H X TS+ 0 0 -62.8 -29.0 -179.8 52.8 108.1 33.4 321 -2.3 329 -2.1 0 0.0 0 0.0 10 38
326 A 327 GLU E H H X TS+ 0 0 -76.4 -30.2 178.1 54.9 103.7 34.8 322 -0.8 330 -2.6 0 0.0 0 0.0 8 32
327 A 328 VAL V H H X TS+ 0 0 -66.6 -40.8 -179.6 43.8 112.4 26.3 323 -1.6 331 -1.7 0 0.0 0 0.0 10 35
328 A 329 PHE F H H X >TS+ 0 0 -71.1 -42.8 -179.8 49.6 114.3 25.5 324 -1.8 332 -2.0 0 0.0 333 -0.9 11 35
329 A 330 SER S H H < 5TS+ 0 0 -61.7 -51.4 179.2 47.9 111.4 16.5 325 -2.1 0 0.0 0 0.0 0 0.0 9 25
330 A 331 THR T H H < 5TS+ 0 0 -55.1 -41.4 179.8 45.8 116.2 26.5 326 -2.6 0 0.0 0 0.0 0 0.0 6 24
331 A 332 ARG R H H < 5TS- 0 0 -73.3 -28.0 -178.3 -135.7 99.5 42.0 327 -1.7 0 0.0 0 0.0 0 0.0 7 27
332 A 333 GLY G T h < 5TS+ 0 0 81.4 2.1 178.3 74.4 83.1 57.7 328 -2.0 0 0.0 0 0.0 0 0.0 6 19
333 A 334 ARG R t 5555< 5-turns
3-turns >33< >>333< >33X33< >33<>>333X>3>44<< >>>4<<< >>>>XXXXX<<<< >444X>>>XXXXX<<<< 4-turns
summary eEEEeTTt eEESS hHHHHhTThHHHHHhS eEEEe SSEEhHHHHHHHHHHHhTtTTteEEEe S BTTtgGGGhHHHHHHHHHHHhTtTTteEEEe summary
sequence ARFSIEGKSLKLDAITTEDEKSVFAVLLEDDSVKEIVLSGNTIGTEAARWLSENIASKKDLEIAEFSDIFTGRVKDEIPEALRLLLQALLKCPKLHTVRL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand S HHHHHHHHHHHHH TT EEE S HHHHHHHHHHHHHHHHHHHHHHT EEE SS TTTTHHHHHHHHHH TT EEE S H Kabs/Sand
chirality ++----++++++++++++++++++--++++-+--++++++++++++++++++++-+---++++++++-++-++++++++++++++++-+++++++-+--+ chirality
bends S SSSSSSSSSSSSS SS S SSSSSSSSSSSSSSSSSSSSS SS SSSSSSSSSSSSS S S S bends
turns TTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT TT turns
5-turns >5555< 5-turns
3-turns >33<>33< >33< >33< >>3<< >33< >3 3-turns
bridge-2 fff ggg hhh bridge-2
bridge-1 eee fff ggg bridge-1
sheets AAA AAA AAA sheets
4-turns >>4>XX>XXXX<<<< >>>>XXXXXXXXXXXXXXXX<<<< >444X>>>XXXX<<<< >> 4-turns
summary S hHHHHHHHHHHHHHhTTteEEEe S hHHHHHHHHHHHHHHHHHHHHHHht eEEEe SS tTTThHHHHHHHHHHhTTteEEEe S hH summary
sequence SDNAFGPTAQEPLIDFLSKHTPLEHLYLHNNGLGPQAGAKIARALQELAVNKKAKNAPPLRSIICGRNRLENGSMKEWAKTFQSHRLLHTVKMVQNGIRP sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHTGGG TT EEE SS HHHHHHHHHHHHTT TT EEE TT HHHHHHHHHHHHT SS EEE SS BHHHHHHHHHHHHHH Kabs/Sand
chirality ++++++++++++++++++++++++-++-+++++++++++++++++++-++++-+--+++++++++++++-+--+++--++++-+--++++++++++++++ chirality
bends SSSSSSSSSSSSS SS SS SSSSSSSSSSSSS SS SS SSSSSSSSSSSSS SS SS SSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTT TTTTTTTTTTTTTTT turns
5-turns >>555<< 5-turns
3-turns 3< >>3>><33< >33< >>3<< >33< 3-turns
bridge-2 iii jjj kkk bridge-2
bridge-1 hhh iii jjj b bridge-1
sheets AAA AAA AAA sheets
4-turns >>XXXX<<<< >>>>XXXXXX<<<< >>>>XXXXXX<<<< >>>>XXXXXXXX<<< 4-turns
summary HHHHHHHHHhGGGgTTteEEEe SS hHHHHHHHHHHHHhTtTTteEEEeTTt hHHHHHHHHHHHHhtSS eEEEe SS hHHHHHHHHHHHHHH summary
sequence EGIEHLLLEGLAYCQELKVLDLQDNTFTHLGSSALAIALKSWPNLRELGLNDCLLSARGAAAVVDAFSKLENIGLQTLRLQYNEIELDAVRTLKTVIDEK sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand TT EEE TTSBS TTSHHHHHHHHHHHHHT EE Kabs/Sand
chirality ++++++-++++-+--++-++++++++++++-++-----+++ chirality
bends SS SSSS SSSSSSSSSSSSSSSSS bends
turns TTTT TTTT TTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33X3><3< 3-turns
bridge-2 ll bridge-2
bridge-1 kkk b ll bridge-1
sheets AAA AA sheets
4-turns < >>>>XXXXXXX<<<< 4-turns
summary hTTteEEEtTTtBStTThHHHHHHHHHHHHHht EEe summary
sequence MPDLLFLELNGNRFSEEDDVVDEIREVFSTRGRGELDELDDME sequence
310 320 330 340