Secondary structure calculation program - copyright by David Keith Smith, 1989
1kx2A.pdb
1KX2 OXYGEN STORAGE/TRANSPORT MOL_ID: 1; MOL_ID: 1;
Sequence length - 81
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 -3 ALA A 0 0 999.9 -123.3 -154.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 22
2 A -2 ASP D - 0 0 -157.8 125.5 -173.6 -170.5 999.9 174.1 0 0.0 0 0.0 0 0.0 0 0.0 6 24
3 A -1 LEU L + 0 0 -121.4 62.2 173.8 99.2 62.4 137.0 0 0.0 0 0.0 0 0.0 0 0.0 10 28
4 A 1 GLN Q S S S+ 0 0 -116.9 -19.2 -171.6 32.6 82.3 62.4 0 0.0 0 0.0 0 0.0 0 0.0 7 25
5 A 2 ASP D h > T - 0 0 -152.9 122.4 166.4 -144.8 57.0 159.5 0 0.0 9 -2.8 0 0.0 0 0.0 8 28
6 A 3 ALA A H H > TS+ 0 0 -43.2 -44.7 175.3 54.7 109.4 30.7 0 0.0 10 -2.8 0 0.0 0 0.0 13 36
7 A 4 GLU E H H > TS+ 0 0 -59.4 -47.8 -178.9 44.9 109.8 16.8 0 0.0 11 -3.0 0 0.0 0 0.0 8 32
8 A 5 ALA A H H > TS+ 0 0 -66.5 -36.0 179.2 52.6 113.1 26.3 0 0.0 12 -2.0 0 0.0 0 0.0 10 34
9 A 6 ILE I H H X TS+ 0 0 -66.0 -52.9 -179.2 34.6 117.5 14.0 5 -2.8 13 -2.5 0 0.0 0 0.0 16 41
10 A 7 TYR Y H H < TS+ 0 0 -69.7 -38.6 -175.3 54.8 117.1 22.2 6 -2.8 0 0.0 0 0.0 0 0.0 11 53
11 A 8 ASN N H H < TS+ 0 0 -69.4 -27.0 169.1 32.2 120.0 37.8 7 -3.0 0 0.0 0 0.0 0 0.0 8 35
12 A 9 LYS K H H < TS+ 0 0 -91.2 -29.9 -172.5 24.1 136.0 42.5 8 -2.0 0 0.0 0 0.0 0 0.0 7 34
13 A 10 ALA A S h < > TS+ 0 0 -101.9 -66.0 -178.5 43.0 122.3 27.8 9 -2.5 15 -2.0 0 0.0 16 -1.0 10 48
14 A 11 CYS C T T 3 TS+ 0 0 -78.3 47.4 -167.7 83.6 101.2 101.2 0 0.0 0 0.0 0 0.0 0 0.0 12 56
15 A 12 THR T T T 3 TS+ 0 0 -125.9 -29.1 -173.6 62.6 71.1 51.0 13 -2.0 0 0.0 0 0.0 0 0.0 10 35
16 A 13 VAL V S t < TS+ 0 0 -72.5 -45.5 -173.3 12.1 125.1 22.0 13 -1.0 0 0.0 0 0.0 0 0.0 8 26
17 A 14 CYS C S t > >TS+ 0 0 -98.1 -53.8 -166.4 46.8 130.2 29.2 0 0.0 21 -2.6 0 0.0 22 -2.1 11 30
18 A 15 HIS H T T 4 5TS+ 0 0 -78.8 -20.8 -179.9 64.5 100.7 48.8 0 0.0 28 -1.3 0 0.0 0 0.0 12 38
19 A 16 SER S T T 4 5TS+ 0 0 -66.7 -48.8 179.6 11.2 126.5 18.5 0 0.0 0 0.0 0 0.0 0 0.0 10 31
20 A 17 MET M T T 4 5TS- 0 0 -97.7 -30.0 -172.1 -108.7 108.8 45.2 0 0.0 0 0.0 0 0.0 0 0.0 8 20
21 A 18 GLY G T g < >5T + 0 0 91.9 45.7 176.2 169.5 54.9 35.7 17 -2.6 24 -0.7 0 0.0 0 0.0 10 24
22 A 19 VAL V G G > T - 0 0 -69.3 154.4 168.9 -129.3 14.8 98.1 0 0.0 30 -0.6 0 0.0 0 0.0 10 35
28 A 25 SER S T T 3 TS+ 0 0 -56.6 -39.7 -177.3 33.0 107.0 34.9 18 -1.3 0 0.0 0 0.0 0 0.0 8 44
29 A 26 HIS H T T 3 TS+ 0 0 -132.4 73.8 168.3 121.0 84.1 128.0 0 0.0 0 0.0 0 0.0 0 0.0 6 32
30 A 27 ASN N t < T - 0 0 -113.0 166.4 166.0 -156.7 43.1 143.3 27 -0.6 0 0.0 0 0.0 0 0.0 8 26
31 A 28 THR T S t > TS+ 0 0 -107.0 -37.0 -175.3 46.2 94.3 43.0 0 0.0 35 -2.8 0 0.0 0 0.0 7 21
32 A 29 ALA A T T 4 TS+ 0 0 -78.3 -22.7 179.4 52.3 111.7 42.6 0 0.0 0 0.0 0 0.0 0 0.0 6 20
33 A 30 ASP D T T 4 TS+ 0 0 -80.4 -26.7 -179.4 39.1 117.3 44.6 0 0.0 0 0.0 0 0.0 0 0.0 9 28
34 A 31 TRP W T h > > TS+ 0 0 -96.7 -34.3 172.2 75.4 99.8 38.8 0 0.0 38 -2.7 0 0.0 37 -1.8 11 32
35 A 32 GLU E H H X 3 TS+ 0 0 -40.8 -60.4 -179.2 50.8 93.9 23.6 31 -2.8 39 -1.0 0 0.0 37 -0.5 8 25
36 A 33 PRO P H H 4 3 TS+ 0 0 -76.5 27.6 171.8 42.6 117.4 85.2 0 0.0 0 0.0 0 0.0 0 0.0 8 22
37 A 34 ARG R H H > X TS+ 0 0 -127.5 -53.0 171.6 53.0 108.8 64.0 34 -1.8 40 -2.1 35 -0.5 41 -1.9 12 31
38 A 35 LEU L H H < 3 TS+ 0 0 -58.1 -10.6 178.6 72.0 98.0 56.9 34 -2.7 0 0.0 0 0.0 0 0.0 11 28
39 A 36 ALA A T h < 3 TS+ 0 0 -80.3 -27.6 173.1 33.4 106.8 42.6 35 -1.0 0 0.0 0 0.0 0 0.0 6 18
40 A 37 LYS K T T 4 < TS- 0 0 -87.9 -54.7 176.4 -109.8 120.5 28.9 37 -2.1 0 0.0 0 0.0 0 0.0 7 20
41 A 38 GLY G t < T - 0 0 163.5 -129.3 -179.3 -75.4 31.5 157.5 37 -1.9 0 0.0 0 0.0 0 0.0 8 23
42 A 39 VAL V S t > > TS+ 0 0 -126.3 -63.9 -172.5 59.3 110.9 53.6 0 0.0 45 -2.4 0 0.0 46 -0.9 12 32
43 A 40 ASP D T T 4 3 TS+ 0 0 -68.9 17.7 171.6 74.1 92.7 75.8 0 0.0 0 0.0 0 0.0 0 0.0 8 31
44 A 41 ASN N T h > 3 TS+ 0 0 -93.9 -26.2 -175.4 41.7 100.2 49.7 0 0.0 48 -0.8 0 0.0 0 0.0 8 31
45 A 42 LEU L H H > < TS+ 0 0 -95.0 -40.1 166.6 67.4 100.6 30.7 42 -2.4 49 -2.1 0 0.0 0 0.0 10 44
46 A 43 VAL V H H X TS+ 0 0 -41.8 -33.1 177.7 52.8 103.3 36.2 42 -0.9 50 -2.5 0 0.0 0 0.0 13 46
47 A 44 LYS K H H > TS+ 0 0 -73.7 -51.5 176.2 49.6 104.3 18.1 0 0.0 51 -2.9 0 0.0 0 0.0 8 35
48 A 45 SER S H H X >TS+ 0 0 -58.8 -24.8 174.9 52.1 114.1 38.4 44 -0.8 52 -0.9 0 0.0 53 -0.6 9 33
49 A 46 VAL V H H < >5TS+ 0 0 -73.1 -60.2 -177.6 42.5 110.1 12.0 45 -2.1 59 -1.2 0 0.0 52 -0.9 12 46
50 A 47 LYS K H H < 35TS+ 0 0 -57.4 -33.5 177.1 50.3 117.1 30.0 46 -2.5 0 0.0 0 0.0 0 0.0 9 36
51 A 48 THR T H H < 35TS- 0 0 -71.9 -30.1 -172.4 -122.2 112.0 39.2 47 -2.9 0 0.0 0 0.0 0 0.0 9 26
52 A 49 GLY G T h < <5T - 0 0 78.5 95.0 168.7 -130.9 19.0 30.6 49 -0.9 0 0.0 48 -0.9 0 0.0 12 26
53 A 50 LEU L t > T - 0 0 -64.9 144.8 178.0 -93.9 41.0 108.4 0 0.0 60 -2.3 0 0.0 0 0.0 9 30
58 A 55 PRO P G G > TS+ 0 0 -57.7 130.6 -174.5 26.3 118.2 110.1 0 0.0 61 -0.5 0 0.0 0 0.0 11 24
59 A 56 GLY G G G > TS- 0 0 93.7 -4.3 -171.7 -88.4 124.6 65.9 49 -1.2 62 -1.4 0 0.0 0 0.0 11 38
60 A 57 GLY G G G < TS- 0 0 62.7 28.1 -178.0 -53.5 88.1 39.2 57 -2.3 0 0.0 0 0.0 0 0.0 12 49
61 A 58 MET M G G < TS+ 0 0 85.7 -4.2 172.3 110.7 120.0 77.0 58 -0.5 0 0.0 0 0.0 0 0.0 9 40
62 A 59 CYS C g < T - 0 0 -97.0 138.8 174.4 -168.5 46.6 145.9 59 -1.4 0 0.0 0 0.0 0 0.0 9 42
63 A 60 THR T S S S+ 0 0 -80.2 -78.8 -162.2 30.3 79.8 17.8 0 0.0 65 -1.1 0 0.0 0 0.0 5 29
64 A 61 ASP D S S S+ 0 0 -83.3 32.4 -164.9 153.2 85.1 90.8 0 0.0 0 0.0 0 0.0 0 0.0 5 28
65 A 62 CYS C - 0 0 -84.3 129.6 -179.4 -154.8 30.2 120.6 63 -1.1 0 0.0 0 0.0 0 0.0 9 37
66 A 63 THR T h > > T - 0 0 -97.4 141.1 176.6 -114.3 30.5 137.2 0 0.0 70 -2.7 0 0.0 69 -0.6 6 31
67 A 64 ASP D H H > 3 TS+ 0 0 -40.6 -39.2 170.7 65.6 114.2 38.1 0 0.0 71 -3.2 0 0.0 0 0.0 7 35
68 A 65 GLU E H H > 3 TS+ 0 0 -45.7 -65.2 -177.4 28.2 113.1 15.1 0 0.0 72 -2.3 0 0.0 0 0.0 6 32
69 A 66 ASP D H H > < TS+ 0 0 -73.5 -32.5 176.3 59.1 120.6 29.5 66 -0.6 73 -2.2 0 0.0 0 0.0 13 41
70 A 67 TYR Y H H X TS+ 0 0 -55.0 -55.6 -173.4 35.6 112.9 18.7 66 -2.7 74 -2.2 0 0.0 0 0.0 12 47
71 A 68 LYS K H H X TS+ 0 0 -74.3 -45.1 168.9 57.0 113.8 17.9 67 -3.2 75 -3.3 0 0.0 0 0.0 13 44
72 A 69 ALA A H H X TS+ 0 0 -46.9 -39.6 176.1 49.6 109.2 30.5 68 -2.3 76 -1.9 0 0.0 0 0.0 9 38
73 A 70 ALA A H H X TS+ 0 0 -67.8 -48.5 174.0 46.1 111.5 17.7 69 -2.2 77 -1.1 0 0.0 0 0.0 12 48
74 A 71 ILE I H H X TS+ 0 0 -57.4 -42.6 178.3 47.5 116.0 25.2 70 -2.2 78 -1.4 0 0.0 80 -0.6 13 54
75 A 72 GLU E H H < TS+ 0 0 -76.5 -22.6 166.6 70.6 96.5 40.0 71 -3.3 0 0.0 0 0.0 0 0.0 10 38
76 A 73 PHE F H H < TS+ 0 0 -52.3 -43.5 177.8 37.4 109.2 24.4 72 -1.9 0 0.0 0 0.0 0 0.0 9 39
77 A 74 MET M H H < TS- 0 0 -71.7 -79.1 -179.8 -47.0 144.2 7.7 73 -1.1 0 0.0 0 0.0 0 0.0 9 41
78 A 75 SER S S h < TS- 0 0 -159.7 43.6 171.4 -101.2 73.9 92.8 74 -1.4 0 0.0 0 0.0 0 0.0 11 38
79 A 76 LYS K S S S+ 0 0 36.7 52.8 169.1 64.9 102.8 42.8 0 0.0 0 0.0 0 0.0 0 0.0 10 40
80 A 77 ALA A 0 0 -145.1 -67.3 -164.8 999.9 999.9 73.5 74 -0.6 0 0.0 0 0.0 0 0.0 12 39
81 A 78 LYS K 0 0 -132.2 999.9 999.9 999.9 999.9 104.1 0 0.0 0 0.0 0 0.0 0 0.0 12 54
1kx2A.pdb
1KX2 OXYGEN STORAGE/TRANSPORT MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand S HHHHHHHSTTSSTTTTGGG TT STTTHHHHTT STTHHHHHHHT TTS GGGG SS HHHHHHHHHHHSS Kabs/Sand
chirality -++-++++++++++++++-++-+---++-+++++++++--+++++++++---++--+--+-++--++++++++++--+ chirality
bends S SSSSSSSSSSSSSSS SS SS SSSSSSSSSS SSSSSSSSSS SSS SSSS SS SSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >>3<< >33< >33X33< >33< >33<>33<>>><<< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>X<<<< >444< >44>X4><<4<>4>>X>X<<<< >>>>XXXXX<<<< 4-turns
summary ShHHHHHHHhTTttTTTgGGGg tTTttTThHHHHhTttThHHHHHHHhtTTtgGGGGgSS hHHHHHHHHHHHhS summary
sequence ADLQDAEAIYNKACTVCHSMGVAGAPKSHNTADWEPRLAKGVDNLVKSVKTGLNAMPPGGMCTDCTDEDYKAAIEFMSKAK sequence
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