Secondary structure calculation program - copyright by David Keith Smith, 1989
1sctB.pdb
1SCT OXYGEN TRANSPORT MOLECULE: HEMOGLOBIN; BLOOD CLAM (SCAPHARCA INAEQUIVALVIS)
Sequence length - 150
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 B 2 LYS K h > T 0 0 999.9 164.3 -172.5 999.9 999.9 999.9 0 0.0 5 -1.8 0 0.0 0 0.0 7 26
2 B 3 VAL V H H > T + 0 0 -51.6 -51.4 -178.7 53.0 999.9 32.1 0 0.0 6 -3.0 0 0.0 0 0.0 10 37
3 B 4 ALA A H H > TS+ 0 0 -54.9 -40.2 178.6 46.9 112.1 29.1 0 0.0 7 -2.0 0 0.0 0 0.0 7 31
4 B 5 GLU E H H > TS+ 0 0 -65.4 -51.6 -173.9 41.8 116.6 20.2 0 0.0 8 -1.9 0 0.0 0 0.0 7 28
5 B 6 LEU L H H X TS+ 0 0 -71.1 -38.1 176.7 48.9 115.2 26.3 1 -1.8 9 -1.9 0 0.0 0 0.0 11 41
6 B 7 ALA A H H X TS+ 0 0 -66.0 -43.1 176.8 50.5 112.1 23.9 2 -3.0 10 -2.5 0 0.0 0 0.0 13 43
7 B 8 ASN N H H X TS+ 0 0 -65.5 -30.8 177.7 52.1 108.9 31.6 3 -2.0 11 -1.3 0 0.0 0 0.0 9 35
8 B 9 ALA A H H X TS+ 0 0 -72.4 -37.4 -179.1 45.7 111.5 26.1 4 -1.9 12 -0.5 0 0.0 0 0.0 8 35
9 B 10 VAL V H H < > TS+ 0 0 -72.4 -45.3 -178.3 49.6 111.9 20.3 5 -1.9 12 -1.0 0 0.0 0 0.0 12 45
10 B 11 VAL V H H < 3 TS+ 0 0 -65.3 -31.2 178.3 49.7 112.5 31.0 6 -2.5 0 0.0 0 0.0 0 0.0 12 42
11 B 12 SER S H H < 3 TS+ 0 0 -81.8 -6.7 -175.3 89.0 90.1 55.0 7 -1.3 13 -1.2 0 0.0 0 0.0 6 31
12 B 13 ASN N h X X T + 0 0 -104.9 88.5 178.6 178.6 48.7 127.0 9 -1.0 16 -2.4 8 -0.5 15 -0.6 8 32
13 B 14 ALA A H H > 3 TS+ 0 0 -47.7 -42.1 179.8 56.1 80.6 38.1 11 -1.2 17 -2.2 0 0.0 0 0.0 7 28
14 B 15 ASP D H H > 3 TS+ 0 0 -63.5 -41.8 177.9 45.0 109.7 27.7 0 0.0 18 -1.2 0 0.0 0 0.0 6 28
15 B 16 GLN Q H H > < TS+ 0 0 -70.8 -38.8 -178.7 57.6 108.6 25.8 12 -0.6 19 -2.3 0 0.0 0 0.0 10 38
16 B 17 LYS K H H X TS+ 0 0 -63.2 -39.8 175.9 55.5 102.4 23.3 12 -2.4 20 -2.5 0 0.0 0 0.0 12 40
17 B 18 ASP D H H X TS+ 0 0 -55.8 -39.7 -175.7 46.4 108.9 26.1 13 -2.2 21 -2.4 0 0.0 0 0.0 8 33
18 B 19 LEU L H H X TS+ 0 0 -72.5 -42.1 179.1 49.7 112.5 20.7 14 -1.2 22 -3.0 0 0.0 0 0.0 11 39
19 B 20 LEU L H H X TS+ 0 0 -62.8 -45.2 -179.2 42.9 115.6 24.0 15 -2.3 23 -2.2 0 0.0 0 0.0 12 49
20 B 21 ARG R H H X TS+ 0 0 -69.9 -39.6 -177.3 47.3 115.8 27.5 16 -2.5 24 -1.8 0 0.0 0 0.0 9 40
21 B 22 MET M H H X TS+ 0 0 -71.9 -43.9 -179.2 42.5 116.4 18.6 17 -2.4 25 -1.0 0 0.0 0 0.0 8 35
22 B 23 SER S H H X TS+ 0 0 -72.3 -28.3 176.7 59.0 110.6 28.3 18 -3.0 26 -2.7 0 0.0 0 0.0 11 46
23 B 24 TRP W H H X TS+ 0 0 -66.2 -36.3 177.2 59.5 97.4 28.2 19 -2.2 27 -3.0 0 0.0 0 0.0 9 51
24 B 25 GLY G H H < TS+ 0 0 -57.7 -37.4 179.1 40.1 112.4 27.8 20 -1.8 0 0.0 0 0.0 0 0.0 8 34
25 B 26 VAL V H H < > TS+ 0 0 -77.9 -42.0 179.4 49.8 116.5 23.8 21 -1.0 28 -0.9 0 0.0 0 0.0 9 40
26 B 27 LEU L H H < > TS+ 0 0 -66.4 -33.8 -178.1 51.0 109.5 31.3 22 -2.7 29 -0.5 0 0.0 0 0.0 11 49
27 B 28 SER S G h < > TS+ 0 0 -86.9 1.2 177.6 90.8 82.2 58.0 23 -3.0 30 -0.6 0 0.0 0 0.0 9 38
28 B 29 VAL V G T < TS+ 0 0 -59.3 -41.6 178.7 20.6 106.6 25.6 25 -0.9 0 0.0 0 0.0 0 0.0 6 26
29 B 30 ASP D G h > < TS+ 0 0 -130.5 92.2 -173.3 176.7 73.9 138.8 26 -0.5 33 -3.0 0 0.0 0 0.0 7 30
30 B 31 MET M H H > < TS+ 0 0 -65.1 -43.8 -179.8 44.5 82.2 23.7 27 -0.6 34 -2.1 0 0.0 0 0.0 10 36
31 B 32 GLU E H H > TS+ 0 0 -66.0 -48.5 -177.4 44.3 117.2 16.6 0 0.0 35 -2.6 0 0.0 0 0.0 10 37
32 B 33 GLY G H H > TS+ 0 0 -69.0 -41.9 176.3 44.4 116.1 27.2 0 0.0 36 -1.6 0 0.0 0 0.0 7 40
33 B 34 THR T H H X TS+ 0 0 -68.6 -34.4 -179.6 52.2 114.2 29.3 29 -3.0 37 -2.0 0 0.0 0 0.0 12 46
34 B 35 GLY G H H X TS+ 0 0 -64.5 -46.3 177.1 47.6 110.4 18.7 30 -2.1 38 -2.0 0 0.0 0 0.0 12 50
35 B 36 LEU L H H X TS+ 0 0 -61.1 -36.1 -176.1 50.7 111.5 27.0 31 -2.6 39 -2.0 0 0.0 0 0.0 14 50
36 B 37 MET M H H X TS+ 0 0 -75.3 -31.5 -179.2 53.4 107.1 29.5 32 -1.6 40 -2.3 0 0.0 0 0.0 9 48
37 B 38 LEU L H H X TS+ 0 0 -68.8 -39.8 -178.5 48.1 110.5 20.5 33 -2.0 41 -2.1 0 0.0 0 0.0 11 57
38 B 39 MET M H H X TS+ 0 0 -68.2 -42.3 178.7 49.5 110.4 23.3 34 -2.0 42 -2.8 0 0.0 0 0.0 10 60
39 B 40 ALA A H H X TS+ 0 0 -62.8 -45.6 179.4 49.1 112.3 19.2 35 -2.0 43 -2.4 0 0.0 0 0.0 10 50
40 B 41 ASN N H H X TS+ 0 0 -66.6 -35.2 175.4 50.7 110.0 28.9 36 -2.3 44 -2.0 0 0.0 0 0.0 11 40
41 B 42 LEU L H H X TS+ 0 0 -64.6 -46.5 -179.0 50.6 110.3 14.8 37 -2.1 45 -2.9 0 0.0 0 0.0 14 40
42 B 43 PHE F H H < TS+ 0 0 -61.5 -36.4 177.7 44.8 113.4 30.7 38 -2.8 0 0.0 0 0.0 0 0.0 11 41
43 B 44 LYS K H H < TS+ 0 0 -70.9 -39.5 -177.0 44.4 117.9 29.2 39 -2.4 0 0.0 0 0.0 0 0.0 7 31
44 B 45 THR T H H < TS+ 0 0 -77.1 -36.7 -179.4 26.3 126.1 32.8 40 -2.0 0 0.0 0 0.0 0 0.0 8 29
45 B 46 SER S h X > T - 0 0 -128.7 82.9 -175.2 -179.0 64.6 135.4 41 -2.9 48 -1.9 0 0.0 49 -0.7 9 30
46 B 47 PRO P H H > 3 TS+ 0 0 -56.0 -26.6 173.7 65.6 84.2 36.5 0 0.0 50 -0.6 0 0.0 0 0.0 9 25
47 B 48 SER S H H > > TS+ 0 0 -58.6 -41.1 176.3 66.1 88.1 28.4 0 0.0 50 -1.2 0 0.0 51 -0.9 7 28
48 B 49 ALA A H H > X TS+ 0 0 -48.3 -43.6 179.3 68.2 89.1 27.2 45 -1.9 52 -1.0 0 0.0 51 -1.0 9 38
49 B 50 LYS K H H < > TS+ 0 0 -47.3 -40.5 176.6 52.3 96.1 34.2 45 -0.7 52 -0.5 0 0.0 0 0.0 10 38
50 B 51 GLY G H H < X TS+ 0 0 -65.1 -38.1 179.6 57.7 103.8 26.5 47 -1.2 53 -1.8 46 -0.6 0 0.0 7 25
51 B 52 LYS K H H < < TS+ 0 0 -63.2 -24.3 180.0 46.9 108.7 43.9 48 -1.0 0 0.0 47 -0.9 0 0.0 8 35
52 B 53 PHE F G h X X TS+ 0 0 -104.4 20.8 -176.1 126.7 71.7 85.9 48 -1.0 55 -1.7 49 -0.5 56 -0.6 9 41
53 B 54 ALA A G G 4 X T + 0 0 -56.9 -23.2 170.7 69.7 64.5 40.5 50 -1.8 56 -0.7 0 0.0 0 0.0 8 26
54 B 55 ARG R G G 4 3 TS+ 0 0 -52.3 -48.7 -175.7 54.4 93.7 25.7 0 0.0 0 0.0 0 0.0 0 0.0 5 23
55 B 56 LEU L G G 4 < TS- 0 0 -67.9 -19.7 174.2 -155.0 99.2 46.0 52 -1.7 57 -0.5 0 0.0 0 0.0 9 31
56 B 57 GLY G g < < T + 0 0 90.0 -119.3 -176.7 29.2 64.3 131.0 53 -0.7 58 -2.2 52 -0.6 0 0.0 8 26
57 B 58 ASP D g > T + 0 0 -90.6 82.8 -176.3 174.5 65.2 117.6 55 -0.5 60 -2.0 0 0.0 0 0.0 7 29
58 B 59 VAL V G G > TS+ 0 0 -60.1 -19.8 -178.6 65.1 70.1 46.6 56 -2.2 61 -1.0 0 0.0 0 0.0 10 37
59 B 60 SER S G G 3 TS+ 0 0 -85.3 -10.1 174.9 80.3 81.0 46.2 0 0.0 0 0.0 0 0.0 0 0.0 6 36
60 B 61 ALA A G G X TS- 0 0 -64.5 -11.1 177.2 -170.1 79.4 52.9 57 -2.0 63 -1.8 0 0.0 0 0.0 7 28
61 B 62 GLY G G G X T + 0 0 59.5 -133.4 -176.6 6.1 66.0 102.6 58 -1.0 64 -2.7 0 0.0 0 0.0 10 33
62 B 63 LYS K G G 3 TS+ 0 0 -57.0 -17.6 -177.7 64.1 127.1 52.7 0 0.0 0 0.0 0 0.0 0 0.0 8 31
63 B 64 ASP D G G < TS+ 0 0 -83.3 -22.4 175.6 79.1 83.7 49.4 60 -1.8 65 -0.9 0 0.0 0 0.0 6 24
64 B 65 ASN N h > < T - 0 0 -84.1 110.5 -174.2 -165.8 70.0 144.3 61 -2.7 68 -2.5 0 0.0 0 0.0 13 28
65 B 66 SER S H H > TS+ 0 0 -75.2 -27.7 173.3 56.0 85.0 35.6 63 -0.9 69 -2.8 0 0.0 0 0.0 7 27
66 B 67 LYS K H H > TS+ 0 0 -63.6 -42.7 175.5 43.9 112.8 22.6 0 0.0 70 -2.2 0 0.0 0 0.0 8 29
67 B 68 LEU L H H > TS+ 0 0 -65.8 -40.4 -178.6 53.1 112.1 25.9 0 0.0 71 -2.8 0 0.0 0 0.0 12 40
68 B 69 ARG R H H X TS+ 0 0 -61.9 -51.2 177.3 45.3 111.7 12.3 64 -2.5 72 -2.3 0 0.0 0 0.0 13 34
69 B 70 GLY G H H X TS+ 0 0 -58.4 -42.5 177.0 47.8 114.8 28.7 65 -2.8 73 -2.0 0 0.0 0 0.0 8 32
70 B 71 HIS H H H X TS+ 0 0 -64.2 -45.3 -175.6 50.0 111.3 21.5 66 -2.2 74 -2.6 0 0.0 0 0.0 8 43
71 B 72 SER S H H X TS+ 0 0 -66.8 -38.2 176.1 47.6 111.2 26.3 67 -2.8 75 -1.6 0 0.0 0 0.0 12 47
72 B 73 ILE I H H X TS+ 0 0 -67.7 -43.0 -177.4 49.0 113.2 15.5 68 -2.3 76 -1.4 0 0.0 0 0.0 12 34
73 B 74 THR T H H X TS+ 0 0 -65.6 -35.0 174.7 59.8 104.7 28.5 69 -2.0 77 -1.5 0 0.0 0 0.0 8 31
74 B 75 LEU L H H X TS+ 0 0 -51.6 -47.4 -178.3 53.1 103.3 24.9 70 -2.6 78 -1.5 0 0.0 0 0.0 9 47
75 B 76 MET M H H X TS+ 0 0 -65.7 -37.8 177.8 52.2 104.0 26.1 71 -1.6 79 -1.9 0 0.0 0 0.0 13 43
76 B 77 TYR Y H H X TS+ 0 0 -71.7 -20.1 172.8 60.0 104.6 36.2 72 -1.4 80 -2.1 0 0.0 0 0.0 8 33
77 B 78 ALA A H H X TS+ 0 0 -67.5 -38.4 177.6 44.9 106.7 25.6 73 -1.5 81 -2.1 0 0.0 0 0.0 8 44
78 B 79 LEU L H H X TS+ 0 0 -75.8 -32.4 172.0 54.8 109.4 29.9 74 -1.5 82 -2.6 0 0.0 0 0.0 8 57
79 B 80 GLN Q H H X TS+ 0 0 -56.4 -45.5 179.2 53.3 106.9 21.0 75 -1.9 83 -2.9 0 0.0 0 0.0 8 39
80 B 81 ASN N H H X TS+ 0 0 -56.6 -50.7 175.1 45.9 110.5 18.7 76 -2.1 84 -0.9 0 0.0 0 0.0 9 40
81 B 82 PHE F H H < > TS+ 0 0 -59.2 -44.6 -179.1 50.3 112.1 26.1 77 -2.1 84 -0.6 0 0.0 0 0.0 11 54
82 B 83 VAL V H H < > TS+ 0 0 -64.8 -43.8 176.2 51.9 108.9 20.1 78 -2.6 85 -1.6 0 0.0 0 0.0 10 52
83 B 84 ASP D H H < 3 TS+ 0 0 -64.0 -16.3 -180.0 56.8 106.4 44.8 79 -2.9 0 0.0 0 0.0 0 0.0 7 35
84 B 85 ALA A T h < X TS+ 0 0 -90.5 -1.6 -168.4 103.3 73.8 57.8 80 -0.9 87 -2.0 81 -0.6 91 -0.5 10 42
85 B 86 LEU L T T < TS+ 0 0 -68.7 -12.0 -179.8 51.7 77.9 54.7 82 -1.6 0 0.0 0 0.0 0 0.0 11 45
86 B 87 ASP D T T 3 TS+ 0 0 -104.4 5.9 -179.7 58.1 104.6 70.0 0 0.0 0 0.0 0 0.0 0 0.0 6 32
87 B 88 ASP D h > < T - 0 0 -138.0 108.4 178.9 -163.7 60.7 152.2 84 -2.0 91 -2.4 0 0.0 0 0.0 8 30
88 B 89 VAL V H H > TS+ 0 0 -55.5 -41.3 -179.3 52.4 93.5 30.7 0 0.0 92 -2.6 0 0.0 0 0.0 11 33
89 B 90 GLU E H H > TS+ 0 0 -65.2 -41.8 175.2 46.2 110.0 26.1 0 0.0 93 -2.0 0 0.0 0 0.0 6 29
90 B 91 ARG R H H > TS+ 0 0 -66.2 -44.5 -176.3 47.8 114.6 20.7 0 0.0 94 -1.9 0 0.0 0 0.0 8 33
91 B 92 LEU L H H X TS+ 0 0 -64.9 -42.0 -176.5 52.5 110.1 19.2 87 -2.4 95 -2.6 84 -0.5 0 0.0 12 44
92 B 93 LYS K H H X TS+ 0 0 -62.7 -43.1 -178.1 47.1 110.2 19.6 88 -2.6 96 -2.4 0 0.0 0 0.0 11 43
93 B 94 CYS C H H X TS+ 0 0 -75.4 -28.5 174.3 46.6 112.8 34.6 89 -2.0 97 -1.8 0 0.0 0 0.0 8 38
94 B 95 VAL V H H X TS+ 0 0 -79.7 -25.7 170.6 54.2 111.5 31.8 90 -1.9 98 -2.3 0 0.0 0 0.0 10 42
95 B 96 VAL V H H X TS+ 0 0 -60.6 -50.8 179.9 47.9 109.7 13.4 91 -2.6 99 -2.5 0 0.0 0 0.0 12 49
96 B 97 GLU E H H X TS+ 0 0 -62.2 -39.0 172.0 52.6 109.2 26.3 92 -2.4 100 -1.9 0 0.0 0 0.0 10 40
97 B 98 LYS K H H X TS+ 0 0 -60.1 -49.1 -179.2 40.9 115.0 16.4 93 -1.8 101 -1.5 0 0.0 0 0.0 8 30
98 B 99 PHE F H H X TS+ 0 0 -73.6 -24.1 177.3 58.0 109.8 32.6 94 -2.3 102 -1.6 0 0.0 0 0.0 9 42
99 B 100 ALA A H H X TS+ 0 0 -66.5 -44.6 175.9 54.2 103.5 15.3 95 -2.5 103 -3.0 0 0.0 0 0.0 12 39
100 B 101 VAL V H H X TS+ 0 0 -53.6 -47.4 176.6 54.2 104.8 25.2 96 -1.9 104 -2.9 0 0.0 0 0.0 9 26
101 B 102 ASN N H H X TS+ 0 0 -54.2 -41.6 -176.1 40.6 114.9 23.0 97 -1.5 105 -1.0 0 0.0 0 0.0 8 28
102 B 103 HIS H H H < >TS+ 0 0 -79.3 -37.0 174.2 54.1 111.3 27.9 98 -1.6 107 -1.8 0 0.0 0 0.0 11 34
103 B 104 ILE I H H < >5TS+ 0 0 -58.6 -48.5 178.4 55.8 106.0 16.7 99 -3.0 106 -2.6 0 0.0 0 0.0 10 24
104 B 105 ASN N H H < 35TS+ 0 0 -53.2 -36.7 -179.8 44.4 110.0 31.8 100 -2.9 0 0.0 0 0.0 0 0.0 7 19
105 B 106 ARG R T h < 35TS- 0 0 -91.3 11.1 -178.7 -115.2 119.3 76.5 101 -1.0 0 0.0 0 0.0 0 0.0 7 25
106 B 107 GLN Q T T <5T + 0 0 49.8 56.2 174.6 155.8 59.0 22.0 103 -2.6 108 -0.5 0 0.0 0 0.0 6 27
107 B 108 ILE I t T - 0 0 -95.1 173.9 -178.1 -95.3 27.9 120.0 106 -0.5 112 -2.3 0 0.0 0 0.0 10 29
109 B 110 ALA A H H > TS+ 0 0 -52.4 -49.1 -176.7 47.3 122.1 24.7 0 0.0 113 -2.0 0 0.0 0 0.0 11 34
110 B 111 ASP D H H > TS+ 0 0 -70.7 -32.2 173.8 50.3 111.8 26.5 0 0.0 114 -0.5 0 0.0 0 0.0 7 29
111 B 112 GLU E H H 4 > TS+ 0 0 -68.4 -37.3 -179.3 53.6 107.7 26.7 0 0.0 114 -1.2 0 0.0 0 0.0 7 38
112 B 113 PHE F H H < > TS+ 0 0 -64.8 -34.6 177.1 63.0 100.3 27.4 108 -2.3 115 -1.6 0 0.0 0 0.0 9 49
113 B 114 GLY G H H < > TS+ 0 0 -62.0 -15.9 178.2 83.7 80.5 47.7 109 -2.0 116 -1.6 0 0.0 0 0.0 11 41
114 B 115 GLU E T h < X TS+ 0 0 -64.1 -11.0 -177.9 77.1 72.2 50.3 111 -1.2 117 -0.5 110 -0.5 0 0.0 10 41
115 B 116 ILE I T h > < TS+ 0 0 -73.6 -20.7 -179.0 75.2 76.4 39.1 112 -1.6 119 -2.6 0 0.0 0 0.0 8 52
116 B 117 VAL V H H > < TS+ 0 0 -61.9 -37.0 174.9 49.2 93.6 28.5 113 -1.6 120 -2.2 0 0.0 0 0.0 11 45
117 B 118 GLY G H H > < TS+ 0 0 -63.0 -56.6 171.4 47.2 113.6 4.8 114 -0.5 121 -2.0 0 0.0 0 0.0 9 39
118 B 119 PRO P H H > TS+ 0 0 -41.1 -50.4 -177.5 49.8 112.8 27.4 0 0.0 122 -2.3 0 0.0 0 0.0 13 44
119 B 120 LEU L H H X TS+ 0 0 -65.9 -39.7 176.3 54.3 106.7 29.2 115 -2.6 123 -2.1 0 0.0 0 0.0 10 56
120 B 121 ARG R H H X TS+ 0 0 -61.2 -43.8 179.9 47.0 110.0 23.7 116 -2.2 124 -1.7 0 0.0 0 0.0 9 46
121 B 122 GLN Q H H X TS+ 0 0 -66.3 -42.6 176.3 50.5 111.9 23.7 117 -2.0 125 -2.3 0 0.0 0 0.0 9 42
122 B 123 THR T H H X TS+ 0 0 -61.2 -37.5 177.9 52.4 108.6 31.4 118 -2.3 126 -2.0 0 0.0 0 0.0 12 50
123 B 124 LEU L H H X TS+ 0 0 -68.4 -34.9 176.9 50.5 109.1 26.4 119 -2.1 127 -2.8 0 0.0 0 0.0 13 48
124 B 125 LYS K H H X TS+ 0 0 -65.7 -44.3 -179.3 48.7 111.0 20.1 120 -1.7 128 -1.4 0 0.0 0 0.0 9 30
125 B 126 ALA A H H < TS+ 0 0 -64.9 -36.5 -176.4 31.8 122.6 27.8 121 -2.3 0 0.0 0 0.0 0 0.0 7 34
126 B 127 ARG R H H < TS+ 0 0 -97.2 -26.5 179.8 45.3 121.6 39.9 122 -2.0 0 0.0 0 0.0 0 0.0 8 35
127 B 128 MET M H H < > TS+ 0 0 -85.1 -22.8 -177.2 175.5 79.1 46.9 123 -2.8 130 -2.4 0 0.0 0 0.0 10 31
128 B 129 GLY G G h < > TS+ 0 0 54.2 -121.5 -179.9 5.4 70.1 104.5 124 -1.4 131 -1.7 0 0.0 0 0.0 8 21
129 B 130 ASN N G G 3 TS+ 0 0 -62.2 -23.6 179.9 58.9 129.7 50.0 0 0.0 0 0.0 0 0.0 0 0.0 4 17
130 B 131 TYR Y G G < TS+ 0 0 -95.1 18.7 177.3 132.6 75.4 83.0 127 -2.4 0 0.0 0 0.0 0 0.0 5 24
131 B 132 PHE F g < T - 0 0 -66.6 147.7 -174.8 -175.9 34.0 118.9 128 -1.7 0 0.0 0 0.0 0 0.0 9 28
132 B 133 ASP D h > > T - 0 0 -153.0 130.1 -178.8 -140.6 33.6 168.8 0 0.0 135 -1.2 0 0.0 136 -1.0 6 34
133 B 134 GLU E H H > 3 TS+ 0 0 -63.2 -27.0 176.5 66.8 101.2 35.0 0 0.0 137 -2.3 0 0.0 0 0.0 6 32
134 B 135 ASP D H H > 3 TS+ 0 0 -64.1 -28.8 173.5 55.9 97.0 34.8 0 0.0 138 -2.1 0 0.0 0 0.0 7 33
135 B 136 THR T H H > < TS+ 0 0 -67.5 -39.9 178.6 52.1 104.0 28.7 132 -1.2 139 -2.3 0 0.0 0 0.0 12 44
136 B 137 VAL V H H X TS+ 0 0 -64.0 -42.1 177.7 52.0 109.0 16.6 132 -1.0 140 -2.7 0 0.0 0 0.0 12 43
137 B 138 ALA A H H X TS+ 0 0 -59.9 -43.0 174.5 52.4 106.2 25.8 133 -2.3 141 -2.1 0 0.0 0 0.0 8 41
138 B 139 ALA A H H X TS+ 0 0 -58.0 -47.7 175.1 46.2 112.4 17.1 134 -2.1 142 -1.6 0 0.0 0 0.0 12 44
139 B 140 TRP W H H X TS+ 0 0 -60.1 -40.2 177.2 55.7 108.7 25.7 135 -2.3 143 -2.6 0 0.0 0 0.0 10 59
140 B 141 ALA A H H X TS+ 0 0 -60.7 -37.3 174.7 52.5 105.9 29.1 136 -2.7 144 -1.8 0 0.0 0 0.0 10 47
141 B 142 SER S H H X TS+ 0 0 -64.0 -42.1 177.8 46.9 109.4 28.4 137 -2.1 145 -0.8 0 0.0 0 0.0 9 53
142 B 143 LEU L H H X > TS+ 0 0 -65.2 -46.1 179.1 53.1 111.2 16.7 138 -1.6 145 -1.4 0 0.0 146 -0.9 10 67
143 B 144 VAL V H H X > TS+ 0 0 -57.2 -36.2 179.5 61.1 101.4 30.4 139 -2.6 147 -2.1 0 0.0 146 -0.7 10 60
144 B 145 ALA A H H X 3 TS+ 0 0 -68.0 -23.5 172.9 61.6 94.7 41.6 140 -1.8 148 -2.0 0 0.0 0 0.0 10 47
145 B 146 VAL V H H < < TS+ 0 0 -68.0 -34.8 177.4 43.1 108.4 28.2 142 -1.4 0 0.0 141 -0.8 0 0.0 13 55
146 B 147 VAL V H H < X TS+ 0 0 -75.4 -41.7 176.4 55.0 110.4 26.9 142 -0.9 149 -1.6 143 -0.7 0 0.0 14 56
147 B 148 GLN Q H H < > TS+ 0 0 -56.9 -39.0 178.3 64.5 98.7 20.7 143 -2.1 150 -2.0 0 0.0 0 0.0 13 43
148 B 149 ALA A T h < 3 TS+ 0 0 -56.0 -18.6 -176.9 44.7 106.0 55.0 144 -2.0 0 0.0 0 0.0 0 0.0 10 38
149 B 150 SER S T t < T 0 0 -112.5 3.6 175.7 999.9 999.9 74.9 146 -1.6 0 0.0 0 0.0 0 0.0 11 39
150 B 151 LEU L t < T 0 0 -90.1 999.9 999.9 999.9 999.9 127.1 147 -2.0 0 0.0 0 0.0 0 0.0 11 35
1sctB.pdb
1SCT OXYGEN TRANSPORT MOLECULE: HEMOGLOBIN; BLOOD CLAM (SCAPHARCA INAEQUIVALVIS)
author author
Kabs/Sand HHHHHHHHHH HHHHHHHHHHHHHHGGGHHHHHHHHHHHHHHH HHHHHHGGGG GGGGGG HHHHHHHHHHHHHHHHHHHTTT HHHHHHHHHHHHH Kabs/Sand
chirality +++++++++++++++++++++++++++++++++++++++++++-+++++++++-++++-+++-++++++++++++++++++++++-+++++++++++++ chirality
bends SSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS SSSSSSS SS SSS SS SSSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33X33< >>><<< >3>X>X>3XX3<< >>3X<3< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXX<<>>XXXXXXXX<<<< >>>>XXXXXXXXX<<>><<>>>XXXXXXXXXXXXX<<<< >>>>XXXXXXXXXX 4-turns
summary hHHHHHHHHHHhHHHHHHHHHHHHHHhThHHHHHHHHHHHHHHHhHHHHHHhGGGggGGGGGGhHHHHHHHHHHHHHHHHHHHhTThHHHHHHHHHHHHH summary
sequence KVAELANAVVSNADQKDLLRMSWGVLSVDMEGTGLMLMANLFKTSPSAKGKFARLGDVSAGKDNSKLRGHSITLMYALQNFVDALDDVERLKCVVEKFAV sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHTT HHHHHTTHHHHHHHHHHHHGGG HHHHHHHHHHHHHHHTT Kabs/Sand
chirality ++++-+--++++++++++++++++++++++--++++++++++++++++ chirality
bends SSSSS SSSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >>>X<<< >>3<<>33< >>33<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns X<<<< >>>4<<<>>>>XXXXXX<<<< >>>>XXXXXXXXX<<<< 4-turns
summary HHHHhTthHHHHHhhHHHHHHHHHHHHhGGghHHHHHHHHHHHHHHHhtt summary
sequence NHINRQISADEFGEIVGPLRQTLKARMGNYFDEDTVAAWASLVAVVQASL sequence
110 120 130 140 150