Secondary structure calculation program - copyright by David Keith Smith, 1989
1hxvA.pdb
1HXV CHAPERONE MOL_ID: 1; MOL_ID: 1;
Sequence length - 85
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 29 LYS K 0 0 999.9 133.7 179.8 999.9 999.9 999.9 0 0.0 3 -1.2 0 0.0 0 0.0 7 28
2 A 30 LEU L + 0 0 -85.6 96.2 -179.2 180.0 999.9 134.4 49 -1.5 0 0.0 0 0.0 0 0.0 11 35
3 A 31 ALA A - 0 0 -84.4 -169.0 -178.9 -49.7 36.1 91.7 1 -1.2 0 0.0 0 0.0 0 0.0 9 32
4 A 32 ASN N S S S+ 0 0 -49.2 -175.8 178.7 53.6 111.9 74.4 0 0.0 0 0.0 0 0.0 0 0.0 8 36
5 A 33 GLY G S S S+ 0 0 59.1 11.4 -179.7 100.5 95.3 52.8 33 -1.1 0 0.0 0 0.0 0 0.0 8 25
6 A 34 ASP D E E AA S- 33 0 -122.2 168.1 178.8 -114.7 76.5 141.2 33 -1.2 33 -3.1 0 0.0 8 -0.6 12 33
7 A 35 ILE I E E AAA - 32 84 -105.6 118.9 -177.8 -159.0 26.4 155.2 84 -0.8 84 -1.3 0 0.0 9 -0.8 11 40
8 A 36 ALA A E E AA - 31 0 -104.8 103.1 176.7 -161.6 8.4 145.0 31 -2.1 10 -2.2 6 -0.6 31 -1.5 16 47
9 A 37 ILE I E E AA + 30 0 -77.8 79.7 -176.4 176.8 29.7 122.7 7 -0.8 82 -0.6 0 0.0 11 -0.5 13 45
10 A 38 ILE I E E AAB - 29 81 -96.3 126.5 177.3 -148.1 31.9 144.3 8 -2.2 12 -1.5 29 -1.4 29 -0.9 16 48
11 A 39 ASP D E E AAB + 28 80 -90.2 85.1 -177.4 178.8 30.2 133.8 80 -1.6 80 -2.0 9 -0.5 13 -0.7 14 44
12 A 40 PHE F E E A B - 0 79 -97.8 115.6 -179.7 -157.3 16.0 146.0 10 -1.5 26 -4.2 27 -0.6 14 -0.7 14 52
13 A 41 THR T E E A B - 0 78 -95.2 113.8 179.0 -135.0 16.5 144.6 78 -2.5 78 -2.1 11 -0.7 15 -2.0 15 42
14 A 42 GLY G E E A B - 0 77 -67.3 82.1 179.2 -177.6 30.4 115.3 12 -0.7 21 -2.0 0 0.0 16 -0.6 15 40
15 A 43 ILE I E E ACB - 20 76 -87.4 119.9 -179.6 -154.6 16.5 137.7 76 -3.2 76 -3.9 13 -2.0 17 -1.2 14 33
16 A 44 VAL V E E AC > T - 19 0 -95.7 79.6 179.6 -52.2 68.6 130.3 19 -2.6 19 -1.1 14 -0.6 0 0.0 10 31
17 A 45 ASP D T T 3 TS- 0 0 53.3 76.2 -179.9 -24.6 123.2 11.3 15 -1.2 19 -0.6 0 0.0 0 0.0 7 24
18 A 46 ASN N T T 3 TS+ 0 0 85.2 -41.0 -179.7 92.6 126.1 99.3 0 0.0 0 0.0 0 0.0 0 0.0 5 21
19 A 47 LYS K E E AC < T - 16 0 -87.7 147.6 180.0 -145.8 66.8 127.7 16 -1.1 16 -2.6 17 -0.6 21 -0.5 6 21
20 A 48 LYS K E E AC - 15 0 -117.5 115.0 -179.7 -169.7 16.8 161.0 0 0.0 0 0.0 0 0.0 0 0.0 10 27
21 A 49 LEU L e - 0 0 -88.8 -173.2 179.6 -128.1 26.8 99.3 14 -2.0 0 0.0 19 -0.5 0 0.0 10 25
22 A 50 ALA A S t > TS+ 0 0 -109.5 -24.3 180.0 71.0 94.6 50.7 0 0.0 25 -0.7 0 0.0 0 0.0 8 25
23 A 51 SER S T T 3 TS+ 0 0 -56.7 -67.6 -179.4 27.4 111.2 9.4 0 0.0 0 0.0 0 0.0 0 0.0 6 30
24 A 52 ALA A T T 3 TS+ 0 0 -81.5 15.1 -179.4 115.1 96.7 76.0 0 0.0 26 -1.2 0 0.0 0 0.0 10 47
25 A 53 SER S t < T + 0 0 -90.6 92.9 179.5 162.7 39.5 135.1 22 -0.7 0 0.0 0 0.0 0 0.0 12 37
26 A 54 ALA A - 0 0 -116.6 134.1 179.7 -171.9 16.3 159.0 12 -4.2 0 0.0 24 -1.2 0 0.0 12 36
27 A 55 GLN Q S e S- 0 0 -90.7 -137.9 178.0 -6.0 70.3 71.6 0 0.0 29 -3.0 0 0.0 12 -0.6 10 35
28 A 56 ASN N E E AA S+ 11 0 -59.4 75.6 -179.6 174.8 81.2 107.6 0 0.0 30 -0.8 0 0.0 0 0.0 9 32
29 A 57 TYR Y E E AA - 10 0 -94.5 108.8 179.5 -136.8 31.9 144.0 27 -3.0 31 -2.0 10 -0.9 10 -1.4 10 36
30 A 58 GLU E E E AA + 9 0 -66.0 86.3 179.6 175.4 38.2 115.3 28 -0.8 0 0.0 0 0.0 0 0.0 10 35
31 A 59 LEU L E E AA - 8 0 -93.8 154.6 179.0 -133.3 28.5 128.3 29 -2.0 8 -2.1 8 -1.5 33 -0.6 9 42
32 A 60 THR T E E AA > T - 7 0 -111.2 111.9 179.9 -150.9 12.2 157.8 0 0.0 34 -1.0 0 0.0 35 -1.0 10 37
33 A 61 ILE I E E AA 3 TS+ 6 0 -86.5 103.4 -177.9 36.2 86.3 135.5 6 -3.1 6 -1.2 31 -0.6 5 -1.1 14 38
34 A 62 GLY G T T 3 TS+ 0 0 130.1 18.0 -179.8 99.6 84.8 61.7 32 -1.0 0 0.0 0 0.0 0 0.0 8 29
35 A 63 SER S S t < TS- 0 0 -104.4 -13.3 179.8 -131.8 80.7 57.3 32 -1.0 0 0.0 0 0.0 0 0.0 7 24
36 A 64 ASN N S S S+ 0 0 66.7 25.4 180.0 115.4 76.0 40.6 0 0.0 0 0.0 0 0.0 0 0.0 6 24
37 A 65 SER S + 0 0 -95.5 -24.7 179.9 67.0 60.8 45.1 0 0.0 0 0.0 0 0.0 0 0.0 4 25
38 A 66 PHE F S S S- 0 0 -96.7 157.3 -180.0 -91.1 95.4 128.5 0 0.0 0 0.0 0 0.0 0 0.0 7 41
39 A 67 ILE I t > > T - 0 0 -59.3 164.8 -179.7 -86.3 52.9 94.0 0 0.0 42 -0.9 0 0.0 43 -0.7 10 37
40 A 68 LYS K T T 4 3 TS+ 0 0 -79.8 121.4 -179.7 23.0 113.9 130.6 0 0.0 0 0.0 0 0.0 0 0.0 6 33
41 A 69 GLY G T h > 3 TS+ 0 0 113.8 -23.9 -179.7 75.9 109.5 86.5 0 0.0 45 -1.0 0 0.0 0 0.0 7 40
42 A 70 PHE F H H > < TS+ 0 0 -81.0 -78.5 179.6 34.7 97.7 16.8 39 -0.9 46 -1.2 0 0.0 0 0.0 9 56
43 A 71 GLU E H H X TS+ 0 0 -44.9 -39.3 -179.7 53.3 122.0 32.1 39 -0.7 47 -1.3 0 0.0 0 0.0 13 57
44 A 72 THR T H H > > TS+ 0 0 -64.3 -50.9 -179.7 60.4 97.7 20.0 0 0.0 48 -1.5 0 0.0 47 -0.7 11 45
45 A 73 GLY G H H < 3 TS+ 0 0 -49.9 -26.5 179.3 43.8 111.2 38.4 41 -1.0 0 0.0 0 0.0 0 0.0 10 48
46 A 74 LEU L H H < > TS+ 0 0 -88.9 -30.0 -179.0 56.7 108.1 39.8 42 -1.2 49 -0.5 0 0.0 0 0.0 14 55
47 A 75 ILE I H H < < TS+ 0 0 -76.1 -14.5 -178.7 62.8 98.7 50.9 43 -1.3 0 0.0 44 -0.7 0 0.0 13 45
48 A 76 ALA A T h < 3 TS+ 0 0 -83.4 -21.2 179.4 54.6 102.6 44.7 44 -1.5 0 0.0 0 0.0 0 0.0 9 35
49 A 77 MET M S t < TS- 0 0 -108.6 170.4 -179.9 -106.7 87.5 127.8 46 -0.5 2 -1.5 0 0.0 0 0.0 10 35
50 A 78 LYS K - 0 0 -75.4 -157.7 179.8 -73.5 50.5 78.2 0 0.0 0 0.0 0 0.0 0 0.0 10 31
51 A 79 VAL V S S S+ 0 0 -103.1 160.8 -179.4 29.7 109.7 131.0 0 0.0 0 0.0 0 0.0 0 0.0 9 39
52 A 80 ASN N S S S+ 0 0 65.0 23.8 -179.8 141.1 89.1 40.8 81 -2.4 0 0.0 0 0.0 0 0.0 8 31
53 A 81 GLN Q E E AD - 81 0 -102.2 140.6 179.7 -128.3 55.9 143.7 81 -1.0 81 -3.2 0 0.0 55 -1.1 9 33
54 A 82 LYS K E E AD - 80 0 -89.1 98.8 -179.3 -175.4 25.3 137.5 0 0.0 56 -1.2 0 0.0 0 0.0 8 36
55 A 83 LYS K E E AD + 79 0 -96.7 78.3 179.4 173.6 7.5 130.0 79 -3.6 79 -2.5 53 -1.1 57 -2.0 11 41
56 A 84 THR T E E AD + 78 0 -83.9 67.9 -179.2 164.1 18.8 118.3 54 -1.2 0 0.0 0 0.0 0 0.0 9 43
57 A 85 LEU L E E AD - 77 0 -91.5 135.5 179.2 -132.0 41.1 136.7 55 -2.0 77 -2.6 77 -1.1 59 -1.5 9 40
58 A 86 ALA A + 0 0 -86.4 84.5 -178.3 177.2 40.0 130.3 0 0.0 0 0.0 0 0.0 0 0.0 8 37
59 A 87 LEU L - 0 0 -90.1 157.1 178.8 -126.5 22.6 122.8 57 -1.5 75 -1.8 0 0.0 0 0.0 10 38
60 A 88 THR T - 0 0 -91.6 177.9 179.7 -116.5 19.6 108.6 0 0.0 0 0.0 0 0.0 0 0.0 9 37
61 A 89 PHE F - 0 0 -123.4 112.8 -179.1 -150.3 26.5 162.9 0 0.0 73 -0.8 0 0.0 0 0.0 11 35
62 A 90 PRO P t > T - 0 0 -78.6 161.7 179.7 -112.0 27.5 109.5 0 0.0 65 -1.6 0 0.0 0 0.0 10 27
63 A 91 SER S T T 3 TS+ 0 0 -59.5 -34.1 -179.6 79.9 108.6 33.6 0 0.0 0 0.0 0 0.0 0 0.0 10 21
64 A 92 ASP D T T 3 TS+ 0 0 -44.9 -29.7 -179.8 108.2 70.8 39.6 0 0.0 0 0.0 0 0.0 0 0.0 6 21
65 A 93 TYR Y S t < TS- 0 0 -53.6 142.2 -179.4 -125.7 81.1 100.4 62 -1.6 0 0.0 0 0.0 0 0.0 10 27
66 A 94 HIS H S S S+ 0 0 -62.7 -22.5 -179.8 75.3 93.4 43.3 0 0.0 0 0.0 0 0.0 0 0.0 6 17
67 A 95 VAL V S S S- 0 0 -98.8 133.2 179.9 -141.6 77.1 143.7 0 0.0 0 0.0 0 0.0 0 0.0 7 21
68 A 96 LYS K S g > TS+ 0 0 -54.7 -39.6 -178.8 57.4 102.3 31.2 0 0.0 71 -1.2 0 0.0 0 0.0 7 16
69 A 97 GLU E G G > TS+ 0 0 -60.8 -46.5 -178.9 54.5 100.4 24.0 0 0.0 72 -1.2 0 0.0 0 0.0 6 21
70 A 98 LEU L G G 3 TS+ 0 0 -80.0 27.3 176.9 91.0 83.7 82.5 0 0.0 0 0.0 0 0.0 0 0.0 11 32
71 A 99 GLN Q G G < TS+ 0 0 -85.1 -36.3 179.2 7.8 109.5 33.5 68 -1.2 0 0.0 0 0.0 0 0.0 11 22
72 A 100 SER S S g < TS+ 0 0 -141.3 58.1 -178.3 132.4 93.6 114.2 69 -1.2 0 0.0 0 0.0 0 0.0 9 22
73 A 101 LYS K - 0 0 -120.8 107.4 177.4 -150.7 44.7 153.0 61 -0.8 75 -1.3 0 0.0 0 0.0 9 33
74 A 102 PRO P + 0 0 -73.0 93.3 -177.3 179.8 34.4 124.2 0 0.0 0 0.0 0 0.0 0 0.0 9 36
75 A 103 VAL V - 0 0 -99.9 159.7 177.4 -123.3 33.0 129.6 59 -1.8 77 -0.8 73 -1.3 0 0.0 12 41
76 A 104 THR T E E AB - 15 0 -102.2 105.5 -178.5 -159.9 28.4 150.5 15 -3.9 15 -3.2 0 0.0 78 -0.7 14 38
77 A 105 PHE F E E ABD - 14 57 -92.7 117.9 176.4 -163.7 10.1 142.2 57 -2.6 79 -1.2 75 -0.8 57 -1.1 14 48
78 A 106 GLU E E E ABD - 13 56 -97.5 85.0 -177.6 -177.5 19.7 138.1 13 -2.1 13 -2.5 76 -0.7 80 -0.8 13 47
79 A 107 VAL V E E ABD - 12 55 -93.6 111.1 177.9 -154.7 19.8 141.9 55 -2.5 55 -3.6 77 -1.2 81 -1.4 13 53
80 A 108 VAL V E E ABD - 11 54 -83.8 91.4 -176.4 -134.4 24.1 132.8 11 -2.0 82 -2.3 78 -0.8 11 -1.6 13 44
81 A 109 LEU L E E ABD + 10 53 -51.2 76.1 175.7 156.6 44.2 102.6 53 -3.2 52 -2.4 79 -1.4 53 -1.0 16 45
82 A 110 LYS K e - 0 0 -103.7 131.4 -175.7 -166.1 21.5 151.0 80 -2.3 0 0.0 9 -0.6 0 0.0 12 42
83 A 111 ALA A - 0 0 -134.4 129.1 178.5 -176.0 18.0 164.1 0 0.0 0 0.0 0 0.0 0 0.0 13 40
84 A 112 ILE I B B A 7 0 -113.0 134.3 -179.3 999.9 999.9 156.7 7 -1.3 7 -0.8 0 0.0 0 0.0 8 32
85 A 113 LYS K 0 0 -100.6 999.9 999.9 999.9 999.9 51.5 0 0.0 0 0.0 0 0.0 0 0.0 5 27
1hxvA.pdb
1HXV CHAPERONE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SSEEEEEEEEEEETTEE STT SEEEEEETSS S TTHHHHHHTS SSEEEEE TTSSSSGGGS EEEEEE B Kabs/Sand
chirality +-++---+-+------+---++++--+-+--++-++--+++++++++--++--++-+----++-+-+++++-+------+-- chirality
bends SSS SS SSS SS SSSS S SSSSSSSSSS SS SSSSSSSSSS bends
turns TTTT TTTT TTTT TTTTTTTTTTT TTTT TTTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33< >3><3< >33< >>3<< 3-turns
bridge-2 A BBBBBB DDDDD bridge-2
bridge-1 AAAAAA CC CC AAAAAA DDDDD BBBBBB A bridge-1
sheets AAAAAAAAAAA AA AAAAAA AAAAA AAAAAA sheets
4-turns >4>>X><<<< 4-turns
summary SSEEEEEEEEEEETTEEetTTt eEEEEEETtS StThHHHHHHht SSEEEEE tTTtSSgGGGg EEEEEEe B summary
sequence KLANGDIAIIDFTGIVDNKKLASASAQNYELTIGSNSFIKGFETGLIAMKVNQKKTLALTFPSDYHVKELQSKPVTFEVVLKAIK sequence
10 20 30 40 50 60 70 80