Secondary structure calculation program - copyright by David Keith Smith, 1989
1ash-.pdb
1ASH OXYGEN STORAGE HEMOGLOBIN (DOMAIN ONE) (ASCARIS SUUM) RECOMBINANT FORM EXPRESSED IN
Sequence length - 147
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 0 ALA A h > T 0 0 999.9 -116.8 176.3 999.9 999.9 999.9 0 0.0 5 -2.6 0 0.0 0 0.0 6 32
2 1 ASN N H H > T + 0 0 -62.2 -33.0 169.1 53.5 999.9 41.2 0 0.0 6 -2.4 0 0.0 0 0.0 7 25
3 2 LYS K H H > TS+ 0 0 -69.4 -38.7 174.8 47.9 110.8 17.7 0 0.0 7 -2.9 0 0.0 0 0.0 6 26
4 3 THR T H H > TS+ 0 0 -56.9 -47.6 177.7 47.7 113.9 16.8 0 0.0 8 -2.9 0 0.0 0 0.0 12 39
5 4 ARG R H H X TS+ 0 0 -58.0 -44.0 -178.3 48.6 112.8 22.4 1 -2.6 9 -2.8 0 0.0 0 0.0 13 38
6 5 GLU E H H X TS+ 0 0 -68.4 -42.2 179.0 46.6 112.5 21.8 2 -2.4 10 -1.7 0 0.0 0 0.0 8 33
7 6 LEU L H H X TS+ 0 0 -68.0 -41.5 175.6 46.2 116.0 21.2 3 -2.9 11 -1.7 0 0.0 0 0.0 11 38
8 7 CYS C H H X TS+ 0 0 -64.0 -44.4 -178.7 55.4 108.6 20.4 4 -2.9 12 -1.9 0 0.0 0 0.0 12 52
9 8 MET M H H < TS+ 0 0 -57.9 -40.2 -177.9 46.9 109.4 30.2 5 -2.8 0 0.0 0 0.0 0 0.0 11 44
10 9 LYS K H H < > TS+ 0 0 -78.3 -33.1 176.3 55.1 105.4 26.4 6 -1.7 13 -2.1 0 0.0 0 0.0 8 37
11 10 SER S H H < > TS+ 0 0 -64.2 -27.8 177.1 62.7 104.0 24.3 7 -1.7 14 -1.5 0 0.0 0 0.0 11 44
12 11 LEU L G h < > TS+ 0 0 -73.4 -0.5 176.2 81.8 76.8 56.6 8 -1.9 15 -1.6 0 0.0 0 0.0 9 49
13 12 GLU E G G < TS+ 0 0 -69.7 -16.6 -177.2 62.4 87.9 37.0 10 -2.1 0 0.0 0 0.0 0 0.0 7 34
14 13 HIS H G G < TS+ 0 0 -86.8 1.9 -177.6 61.0 94.9 64.0 11 -1.5 0 0.0 0 0.0 0 0.0 9 39
15 14 ALA A S g < TS- 0 0 -130.9 110.1 -176.1 -144.6 83.6 167.7 12 -1.6 0 0.0 0 0.0 0 0.0 10 47
16 15 LYS K + 0 0 -88.3 151.5 -174.7 176.8 26.5 124.6 0 0.0 0 0.0 0 0.0 0 0.0 10 40
17 16 VAL V + 0 0 -136.0 22.3 177.9 100.5 52.6 94.7 0 0.0 0 0.0 0 0.0 0 0.0 10 39
18 17 ASP D S S S- 0 0 -92.9 -156.7 178.6 -83.0 91.0 94.8 0 0.0 0 0.0 0 0.0 0 0.0 5 29
19 18 THR T S S S+ 0 0 -89.0 -16.7 -177.7 108.2 86.7 44.6 0 0.0 0 0.0 0 0.0 0 0.0 6 21
20 19 SER S S h > TS- 0 0 -51.8 177.4 172.2 -109.1 80.7 80.3 0 0.0 24 -1.4 0 0.0 0 0.0 6 20
21 20 ASN N H H > TS+ 0 0 -76.2 -29.2 176.0 65.0 117.1 34.5 0 0.0 25 -2.4 0 0.0 0 0.0 6 23
22 21 GLU E H H > TS+ 0 0 -52.5 -52.4 179.2 45.3 102.6 22.2 0 0.0 26 -2.7 0 0.0 0 0.0 7 26
23 22 ALA A H H > TS+ 0 0 -62.3 -42.9 178.9 54.2 109.6 21.7 0 0.0 27 -2.8 0 0.0 0 0.0 13 37
24 23 ARG R H H X TS+ 0 0 -57.4 -43.5 -178.8 44.6 113.4 17.8 20 -1.4 28 -2.2 0 0.0 0 0.0 14 34
25 24 GLN Q H H X TS+ 0 0 -72.5 -37.7 175.7 52.6 110.7 32.1 21 -2.4 29 -3.1 0 0.0 0 0.0 9 42
26 25 ASP D H H X TS+ 0 0 -65.5 -37.1 172.8 49.7 109.8 24.3 22 -2.7 30 -1.2 0 0.0 0 0.0 11 51
27 26 GLY G H H X TS+ 0 0 -64.1 -45.3 176.5 45.7 114.2 13.9 23 -2.8 31 -1.1 0 0.0 0 0.0 17 49
28 27 ILE I H H X > TS+ 0 0 -62.1 -47.3 -178.0 57.1 106.7 19.1 24 -2.2 32 -2.3 0 0.0 31 -0.7 13 48
29 28 ASP D H H X 3 TS+ 0 0 -58.3 -25.5 177.4 59.4 100.6 39.5 25 -3.1 33 -2.4 0 0.0 0 0.0 10 51
30 29 LEU L H H X 3 TS+ 0 0 -67.8 -44.3 -179.2 43.4 108.1 20.0 26 -1.2 34 -2.2 0 0.0 0 0.0 11 62
31 30 TYR Y H H X < TS+ 0 0 -73.1 -31.2 170.7 57.6 109.4 29.8 27 -1.1 35 -2.9 28 -0.7 0 0.0 12 58
32 31 LYS K H H X TS+ 0 0 -56.2 -48.6 178.9 50.4 106.6 15.0 28 -2.3 36 -2.7 0 0.0 0 0.0 13 49
33 32 HIS H H H X TS+ 0 0 -60.3 -43.5 179.2 42.7 114.4 21.2 29 -2.4 37 -1.6 0 0.0 0 0.0 12 44
34 33 MET M H H X TS+ 0 0 -73.6 -32.6 -176.8 48.2 115.2 20.9 30 -2.2 38 -2.3 0 0.0 0 0.0 12 49
35 34 PHE F H H < TS+ 0 0 -73.5 -41.7 -178.6 39.4 118.0 16.9 31 -2.9 0 0.0 0 0.0 0 0.0 14 43
36 35 GLU E H H < TS+ 0 0 -80.1 -22.4 -178.6 28.8 130.2 42.8 32 -2.7 0 0.0 0 0.0 0 0.0 9 31
37 36 ASN N H H < TS+ 0 0 -120.6 -5.4 171.4 38.7 123.9 56.5 33 -1.6 0 0.0 0 0.0 0 0.0 6 32
38 37 TYR Y h X > T + 0 0 -130.0 64.3 -177.2 170.2 64.0 110.5 34 -2.3 41 -2.4 0 0.0 42 -0.5 9 35
39 38 PRO P G G 4 > TS+ 0 0 -49.5 -29.7 173.6 65.8 70.8 42.2 0 0.0 42 -0.9 0 0.0 0 0.0 9 29
40 39 PRO P G G 4 > TS+ 0 0 -61.4 -23.7 -177.4 58.7 95.0 39.3 0 0.0 43 -0.6 0 0.0 0 0.0 5 31
41 40 LEU L G G 4 X TS+ 0 0 -82.1 -15.9 -178.8 74.1 88.6 41.1 38 -2.4 44 -1.4 0 0.0 0 0.0 9 40
42 41 ARG R G G < X TS+ 0 0 -65.1 -26.5 -177.0 69.9 82.9 36.4 39 -0.9 45 -1.9 38 -0.5 0 0.0 13 36
43 42 LYS K G G < TS+ 0 0 -67.6 -24.7 178.8 62.6 87.0 36.9 40 -0.6 0 0.0 0 0.0 0 0.0 10 26
44 43 TYR Y G G < TS+ 0 0 -74.9 -7.3 179.1 86.9 86.9 46.4 41 -1.4 46 -1.3 0 0.0 0 0.0 7 31
45 44 PHE F S g > X TS- 0 0 -99.1 79.7 173.3 -139.0 84.3 132.9 42 -1.9 48 -2.3 0 0.0 49 -0.8 8 36
46 45 LYS K T T 4 3 TS- 0 0 -3.8 -83.1 178.5 -1.5 80.6 63.2 44 -1.3 0 0.0 0 0.0 0 0.0 6 24
47 46 SER S T T 4 3 TS+ 0 0 -115.4 34.0 176.2 70.6 124.2 77.6 0 0.0 0 0.0 0 0.0 0 0.0 4 19
48 47 ARG R T T 4 X T + 0 0 -114.8 5.0 179.1 121.2 63.2 76.2 45 -2.3 51 -2.2 0 0.0 0 0.0 8 32
49 48 GLU E T T < 3 TS+ 0 0 -43.6 -30.4 177.3 41.3 73.5 56.2 45 -0.8 0 0.0 0 0.0 0 0.0 9 28
50 49 GLU E T T 3 TS+ 0 0 -117.5 37.3 172.9 137.8 87.6 88.5 0 0.0 0 0.0 0 0.0 0 0.0 6 26
51 50 TYR Y t < T - 0 0 -74.6 149.9 174.1 -151.8 40.0 115.1 48 -2.2 0 0.0 0 0.0 0 0.0 10 34
52 51 THR T h > T - 0 0 -108.3 171.0 176.2 -94.1 40.5 135.7 0 0.0 56 -3.0 0 0.0 0 0.0 9 31
53 52 ALA A H H > TS+ 0 0 -51.1 -36.2 -179.8 56.7 129.0 28.6 0 0.0 57 -2.6 0 0.0 0 0.0 11 36
54 53 GLU E H H > TS+ 0 0 -59.7 -54.8 178.3 44.0 106.3 24.2 0 0.0 58 -1.7 0 0.0 0 0.0 8 28
55 54 ASP D H H > TS+ 0 0 -61.3 -39.1 -179.2 55.0 112.9 23.4 0 0.0 59 -1.0 0 0.0 0 0.0 8 29
56 55 VAL V H H < > TS+ 0 0 -66.1 -39.4 -176.8 57.2 102.4 19.3 52 -3.0 59 -1.0 0 0.0 0 0.0 13 41
57 56 GLN Q H H < 3 TS+ 0 0 -61.5 -44.6 -178.6 37.8 112.3 24.7 53 -2.6 0 0.0 0 0.0 0 0.0 10 34
58 57 ASN N H H < 3 TS+ 0 0 -87.3 -1.2 178.5 95.9 90.8 61.0 54 -1.7 0 0.0 0 0.0 0 0.0 6 27
59 58 ASP D h X X T - 0 0 -88.3 121.6 176.4 -146.1 67.3 141.9 56 -1.0 62 -1.7 55 -1.0 63 -0.6 8 31
60 59 PRO P H H > 3 TS+ 0 0 -54.1 -16.2 -178.2 75.8 90.1 48.8 0 0.0 64 -1.4 0 0.0 0 0.0 6 29
61 60 PHE F H H > 3 TS+ 0 0 -67.7 -36.6 -177.6 51.0 90.8 29.2 0 0.0 65 -2.7 0 0.0 0 0.0 6 34
62 61 PHE F H H > < TS+ 0 0 -76.6 -21.4 174.0 61.1 102.1 36.1 59 -1.7 66 -2.6 0 0.0 0 0.0 12 44
63 62 ALA A H H X TS+ 0 0 -65.3 -45.1 179.7 36.6 113.8 15.6 59 -0.6 67 -1.5 0 0.0 0 0.0 12 38
64 63 LYS K H H X TS+ 0 0 -71.6 -44.8 180.0 48.0 119.4 14.8 60 -1.4 68 -2.3 0 0.0 0 0.0 10 33
65 64 GLN Q H H X TS+ 0 0 -63.1 -37.7 179.4 56.8 107.2 25.3 61 -2.7 69 -2.8 0 0.0 0 0.0 9 42
66 65 GLY G H H X TS+ 0 0 -63.7 -38.8 173.9 49.4 107.1 26.4 62 -2.6 70 -2.7 0 0.0 0 0.0 14 46
67 66 GLN Q H H X TS+ 0 0 -68.5 -36.9 175.6 54.1 107.9 23.6 63 -1.5 71 -2.6 0 0.0 0 0.0 12 39
68 67 LYS K H H X TS+ 0 0 -61.3 -46.5 179.3 38.9 115.1 17.8 64 -2.3 72 -2.0 0 0.0 0 0.0 8 36
69 68 ILE I H H X TS+ 0 0 -75.9 -32.5 -178.6 53.9 113.4 27.6 65 -2.8 73 -1.8 0 0.0 0 0.0 9 49
70 69 LEU L H H X TS+ 0 0 -68.8 -37.4 175.0 50.4 109.3 18.1 66 -2.7 74 -2.0 0 0.0 0 0.0 12 50
71 70 LEU L H H X TS+ 0 0 -60.6 -44.8 178.2 55.0 106.6 20.2 67 -2.6 75 -2.7 0 0.0 0 0.0 9 41
72 71 ALA A H H X TS+ 0 0 -60.1 -33.1 173.1 48.5 108.1 27.5 68 -2.0 76 -2.4 0 0.0 0 0.0 8 47
73 72 CYS C H H X TS+ 0 0 -70.5 -37.6 176.9 49.5 111.9 25.8 69 -1.8 77 -1.7 0 0.0 0 0.0 8 64
74 73 HIS H H H X TS+ 0 0 -67.4 -37.2 179.6 47.8 112.5 25.6 70 -2.0 78 -1.5 0 0.0 0 0.0 10 48
75 74 VAL V H H X TS+ 0 0 -70.8 -37.0 -177.1 56.8 107.0 24.5 71 -2.7 79 -1.7 0 0.0 0 0.0 8 43
76 75 LEU L H H < TS+ 0 0 -69.0 -33.9 176.8 40.4 111.9 24.4 72 -2.4 0 0.0 0 0.0 0 0.0 11 55
77 76 CYS C H H < > TS+ 0 0 -87.4 -18.2 171.6 54.7 111.5 34.6 73 -1.7 80 -0.5 0 0.0 0 0.0 11 52
78 77 ALA A H H < 3 TS+ 0 0 -74.5 -22.9 176.0 44.4 114.4 39.6 74 -1.5 0 0.0 0 0.0 0 0.0 9 40
79 78 THR T T h < > TS+ 0 0 -96.5 6.2 -176.8 97.9 86.2 63.6 75 -1.7 82 -1.5 0 0.0 86 -0.6 10 40
80 79 TYR Y T T < TS+ 0 0 -65.3 -34.5 -178.1 60.7 73.6 30.8 77 -0.5 0 0.0 0 0.0 0 0.0 13 41
81 80 ASP D T T 3 TS+ 0 0 -73.9 -6.6 174.0 53.7 103.5 49.6 0 0.0 83 -0.6 0 0.0 0 0.0 9 31
82 81 ASP D S h > < TS- 0 0 -122.6 96.7 -177.7 -169.1 72.6 151.3 79 -1.5 86 -2.5 0 0.0 0 0.0 7 24
83 82 ARG R H H > TS+ 0 0 -60.6 -25.7 179.7 60.9 80.2 39.2 81 -0.6 87 -2.5 0 0.0 0 0.0 8 30
84 83 GLU E H H > TS+ 0 0 -70.2 -39.3 173.9 39.9 111.3 21.7 0 0.0 88 -2.1 0 0.0 0 0.0 6 23
85 84 THR T H H > TS+ 0 0 -69.5 -42.7 -179.8 53.6 114.7 23.9 0 0.0 89 -2.5 0 0.0 0 0.0 9 28
86 85 PHE F H H X TS+ 0 0 -57.0 -48.2 -177.3 43.3 112.5 21.2 82 -2.5 90 -2.2 79 -0.6 0 0.0 12 37
87 86 ASN N H H X TS+ 0 0 -69.4 -45.2 174.7 51.8 112.8 26.2 83 -2.5 91 -2.1 0 0.0 0 0.0 10 34
88 87 ALA A H H X TS+ 0 0 -55.6 -41.9 175.5 49.0 110.3 26.8 84 -2.1 92 -2.0 0 0.0 0 0.0 8 30
89 88 TYR Y H H X TS+ 0 0 -65.0 -44.0 172.6 52.7 108.8 23.1 85 -2.5 93 -2.5 0 0.0 0 0.0 9 38
90 89 THR T H H X TS+ 0 0 -57.2 -42.2 177.4 51.0 108.7 22.8 86 -2.2 94 -2.1 0 0.0 0 0.0 12 44
91 90 ARG R H H X TS+ 0 0 -62.9 -40.5 179.2 49.8 110.0 19.4 87 -2.1 95 -2.9 0 0.0 0 0.0 10 34
92 91 GLU E H H X TS+ 0 0 -67.2 -36.8 173.3 54.9 106.3 23.0 88 -2.0 96 -2.6 0 0.0 0 0.0 8 33
93 92 LEU L H H X TS+ 0 0 -58.8 -40.3 -179.9 46.4 111.4 25.8 89 -2.5 97 -0.8 0 0.0 0 0.0 8 43
94 93 LEU L H H X > TS+ 0 0 -68.0 -41.9 -177.1 50.6 111.5 19.1 90 -2.1 98 -2.5 0 0.0 97 -1.0 9 37
95 94 ASP D H H X 3 TS+ 0 0 -64.9 -35.1 179.8 57.1 105.4 30.7 91 -2.9 99 -1.8 0 0.0 0 0.0 8 24
96 95 ARG R H H X 3 TS+ 0 0 -72.5 -20.6 175.3 43.3 110.1 45.8 92 -2.6 100 -0.5 0 0.0 0 0.0 8 21
97 96 HIS H H H < X>TS+ 0 0 -87.2 -43.6 177.7 50.7 113.5 30.0 94 -1.0 102 -2.5 93 -0.8 100 -0.8 10 28
98 97 ALA A H H < >5TS+ 0 0 -57.9 -27.2 178.2 68.2 99.7 33.8 94 -2.5 101 -1.6 0 0.0 0 0.0 9 22
99 98 ARG R H H < 35TS+ 0 0 -52.6 -49.4 -176.4 31.5 111.8 23.7 95 -1.8 0 0.0 0 0.0 0 0.0 7 14
100 99 ASP D T h < <5TS- 0 0 -104.0 21.8 176.5 -107.4 119.9 95.1 97 -0.8 0 0.0 96 -0.5 0 0.0 6 15
101 100 HIS H T T <5T + 0 0 54.9 32.9 172.9 148.9 65.9 40.6 98 -1.6 103 -1.5 0 0.0 0 0.0 6 17
102 101 VAL V t > T - 0 0 -54.2 141.9 -169.6 -114.1 39.5 105.5 0 0.0 108 -2.8 0 0.0 109 -0.6 6 24
106 105 PRO P H H > > TS+ 0 0 -61.7 -23.3 177.5 66.8 112.9 35.7 0 0.0 110 -1.0 0 0.0 109 -0.7 9 30
107 106 GLU E H H > 3 TS+ 0 0 -76.0 -3.1 173.2 65.0 89.4 49.0 0 0.0 111 -1.9 0 0.0 0 0.0 6 26
108 107 VAL V H H > < TS+ 0 0 -80.7 -29.3 178.6 55.2 97.3 30.0 105 -2.8 112 -2.1 0 0.0 0 0.0 8 36
109 108 TRP W H H X < TS+ 0 0 -67.0 -38.6 172.1 47.9 108.7 23.6 106 -0.7 113 -1.0 105 -0.6 0 0.0 11 45
110 109 THR T H H X > TS+ 0 0 -63.6 -46.1 -177.2 53.6 109.7 20.4 106 -1.0 114 -1.1 0 0.0 113 -0.6 11 34
111 110 ASP D H H X 3 TS+ 0 0 -59.9 -30.1 -179.5 66.4 98.2 28.1 107 -1.9 115 -2.3 0 0.0 0 0.0 8 37
112 111 PHE F H H X 3 TS+ 0 0 -56.2 -49.5 -174.4 51.9 96.2 24.0 108 -2.1 116 -2.4 0 0.0 0 0.0 8 49
113 112 TRP W H H X < TS+ 0 0 -68.1 -24.5 169.8 52.8 107.4 34.6 109 -1.0 117 -1.7 110 -0.6 0 0.0 11 48
114 113 LYS K H H X TS+ 0 0 -65.4 -42.3 177.1 45.7 113.7 19.4 110 -1.1 118 -2.0 0 0.0 0 0.0 8 37
115 114 LEU L H H X TS+ 0 0 -64.9 -39.9 -177.5 50.7 111.1 34.0 111 -2.3 119 -2.2 0 0.0 0 0.0 10 42
116 115 PHE F H H X TS+ 0 0 -67.3 -41.3 -174.7 49.9 109.6 26.1 112 -2.4 120 -2.5 0 0.0 0 0.0 9 60
117 116 GLU E H H X TS+ 0 0 -68.3 -42.3 170.7 49.0 111.1 26.4 113 -1.7 121 -2.3 0 0.0 0 0.0 10 51
118 117 GLU E H H X TS+ 0 0 -57.4 -52.9 172.5 49.7 112.5 13.8 114 -2.0 122 -1.0 0 0.0 0 0.0 8 39
119 118 TYR Y H H X > TS+ 0 0 -50.6 -47.1 -179.6 45.6 112.7 28.6 115 -2.2 122 -0.6 0 0.0 123 -0.5 11 45
120 119 LEU L H H X > TS+ 0 0 -68.5 -33.9 179.8 65.6 103.1 24.2 116 -2.5 123 -1.7 0 0.0 124 -1.6 13 50
121 120 GLY G H H < 3 TS+ 0 0 -58.9 -26.4 175.0 51.8 99.8 41.3 117 -2.3 0 0.0 0 0.0 0 0.0 9 34
122 121 LYS K H H < < TS+ 0 0 -77.9 -19.8 -176.8 48.4 111.4 47.5 118 -1.0 0 0.0 119 -0.6 0 0.0 7 31
123 122 LYS K H H < < TS- 0 0 -91.4 -25.0 -177.5 -12.8 129.6 41.8 120 -1.7 0 0.0 119 -0.5 0 0.0 8 34
124 123 THR T S h < TS- 0 0 -165.5 166.1 177.0 -91.3 77.6 163.3 120 -1.6 126 -0.7 0 0.0 0 0.0 8 29
125 124 THR T - 0 0 -95.9 120.5 -178.1 -149.6 38.6 141.2 0 0.0 0 0.0 0 0.0 0 0.0 7 26
126 125 LEU L - 0 0 -86.9 133.9 175.9 -145.4 8.8 136.7 124 -0.7 0 0.0 0 0.0 0 0.0 9 33
127 126 ASP D h > T - 0 0 -93.1 171.1 -176.4 -97.2 32.1 126.4 0 0.0 131 -2.5 0 0.0 0 0.0 6 26
128 127 GLU E H H > TS+ 0 0 -60.0 -39.6 171.0 52.5 122.7 33.4 0 0.0 132 -2.7 0 0.0 0 0.0 6 22
129 128 PRO P H H > TS+ 0 0 -56.7 -47.7 -179.1 45.2 112.8 16.9 0 0.0 133 -2.7 0 0.0 0 0.0 7 26
130 129 THR T H H > TS+ 0 0 -65.7 -38.3 178.9 48.6 114.0 27.4 0 0.0 134 -2.0 0 0.0 0 0.0 12 38
131 130 LYS K H H X TS+ 0 0 -65.8 -40.9 176.1 53.0 110.2 21.9 127 -2.5 135 -2.2 0 0.0 0 0.0 10 37
132 131 GLN Q H H X TS+ 0 0 -56.2 -49.1 179.4 50.6 108.0 17.3 128 -2.7 136 -1.9 0 0.0 0 0.0 8 34
133 132 ALA A H H X TS+ 0 0 -61.9 -39.1 175.3 50.4 108.6 28.0 129 -2.7 137 -1.7 0 0.0 0 0.0 12 42
134 133 TRP W H H X TS+ 0 0 -66.5 -34.9 179.3 55.2 107.8 24.6 130 -2.0 138 -2.8 0 0.0 0 0.0 12 52
135 134 HIS H H H X TS+ 0 0 -63.1 -43.7 179.6 49.7 107.2 21.9 131 -2.2 139 -2.7 0 0.0 0 0.0 9 42
136 135 GLU E H H X TS+ 0 0 -64.4 -37.7 179.2 45.3 112.7 34.5 132 -1.9 140 -1.9 0 0.0 0 0.0 9 42
137 136 ILE I H H X TS+ 0 0 -71.6 -41.7 177.3 50.8 114.5 20.2 133 -1.7 141 -2.5 0 0.0 0 0.0 11 54
138 137 GLY G H H X TS+ 0 0 -57.3 -46.5 -179.6 48.7 110.5 24.4 134 -2.8 142 -2.2 0 0.0 0 0.0 10 51
139 138 ARG R H H X TS+ 0 0 -63.1 -46.1 -177.8 45.2 113.4 22.4 135 -2.7 143 -2.0 0 0.0 0 0.0 9 40
140 139 GLU E H H X TS+ 0 0 -68.8 -36.1 179.4 51.3 112.4 32.2 136 -1.9 144 -1.9 0 0.0 0 0.0 8 43
141 140 PHE F H H X TS+ 0 0 -64.1 -43.2 178.1 52.6 109.0 25.5 137 -2.5 145 -2.6 0 0.0 0 0.0 10 51
142 141 ALA A H H X TS+ 0 0 -62.5 -44.5 175.3 49.3 107.8 24.0 138 -2.2 146 -2.0 0 0.0 0 0.0 11 39
143 142 LYS K H H < TS+ 0 0 -62.0 -41.3 179.6 46.2 114.7 21.4 139 -2.0 0 0.0 0 0.0 0 0.0 8 33
144 143 GLU E H H < > TS+ 0 0 -66.6 -40.7 178.0 51.2 109.7 32.8 140 -1.9 147 -1.4 0 0.0 0 0.0 10 33
145 144 ILE I H H < 3 TS+ 0 0 -63.6 -33.9 -178.4 72.2 97.7 26.1 141 -2.6 0 0.0 0 0.0 0 0.0 11 38
146 145 ASN N T h < 3 T 0 0 -69.7 10.0 163.0 999.9 999.9 73.5 142 -2.0 0 0.0 0 0.0 0 0.0 6 29
147 146 LYS K t < T 0 0 -133.5 999.9 999.9 999.9 999.9 91.6 144 -1.4 0 0.0 0 0.0 0 0.0 4 26
1ash-.pdb
1ASH OXYGEN STORAGE HEMOGLOBIN (DOMAIN ONE) (ASCARIS SUUM) RECOMBINANT FORM EXPRESSED IN
author author
Kabs/Sand HHHHHHHHHHGGGS SSSHHHHHHHHHHHHHHHHH GGGGGGSTTTTT HHHHHH HHHHHHHHHHHHHHHHHHHTTTSHHHHHHHHHHHHHHHHHT Kabs/Sand
chirality +++++++++++++-++-+-++++++++++++++++++++++++--++++--++++++-++++++++++++++++++++++-+++++++++++++++++- chirality
bends SSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSS SSSSSSSSS SS SSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >555 5-turns
3-turns >>><<< >33< >>>XX<33X33< >3><3< >33X>3< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXX<<<< >>>>XXXXXXXXXXX<<444< >>>><<>>XXXXXXXXXXXXX<<<< >>>>XXXXXXXXXXX<<<< 4-turns
summary hHHHHHHHHHHhGGg SShHHHHHHHHHHHHHHHHHhGGGGGGgTTTTTthHHHHHHhHHHHHHHHHHHHHHHHHHHhTThHHHHHHHHHHHHHHHHHh summary
sequence ANKTRELCMKSLEHAKVDTSNEARQDGIDLYKHMFENYPPLRKYFKSREEYTAEDVQNDPFFAKQGQKILLACHVLCATYDDRETFNAYTRELLDRHARD sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand T HHHHHHHHHHHHHHHHHHS HHHHHHHHHHHHHHHHHHT Kabs/Sand
chirality ++---+++++++++++++++++-----++++++++++++++++++ chirality
bends SSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSS bends
turns TT TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTT turns
5-turns 5< 5-turns
3-turns < >>3<<>33< >>3<< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXXXXXXXXXX<<<< >>>>XXXXXXXXXXXX<<<< 4-turns
summary Tt hHHHHHHHHHHHHHHHHHHh hHHHHHHHHHHHHHHHHHHht summary
sequence HVHMPPEVWTDFWKLFEEYLGKKTTLDEPTKQAWHEIGREFAKEINK sequence
110 120 130 140