Secondary structure calculation program - copyright by David Keith Smith, 1989
1h7cA.pdb
1H7C CHAPERONE MOL_ID: 1; MOL_ID: 1;
Sequence length - 99
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 4 PRO P h > T 0 0 999.9 -51.3 179.8 999.9 999.9 999.9 0 0.0 5 -1.3 0 0.0 0 0.0 4 16
2 A 5 ARG R H H > T + 0 0 -72.0 -25.8 179.7 60.3 999.9 40.2 0 0.0 6 -1.7 0 0.0 0 0.0 5 29
3 A 6 VAL V H H > TS+ 0 0 -67.4 -41.1 179.3 55.5 99.9 24.8 0 0.0 7 -2.5 0 0.0 0 0.0 9 30
4 A 7 ARG R H H > TS+ 0 0 -55.9 -47.5 -179.3 50.0 107.0 22.0 0 0.0 8 -2.6 0 0.0 0 0.0 7 23
5 A 8 GLN Q H H X TS+ 0 0 -60.6 -39.7 -179.9 53.0 108.4 28.3 1 -1.3 9 -2.7 0 0.0 0 0.0 8 33
6 A 9 ILE I H H X TS+ 0 0 -61.4 -48.3 -179.5 46.6 110.5 20.9 2 -1.7 10 -1.9 0 0.0 0 0.0 14 41
7 A 10 LYS K H H X TS+ 0 0 -60.8 -47.2 179.6 48.0 113.9 21.8 3 -2.5 11 -2.3 0 0.0 0 0.0 11 36
8 A 11 ILE I H H X TS+ 0 0 -59.3 -51.2 -179.8 47.5 112.7 19.0 4 -2.6 12 -2.0 0 0.0 0 0.0 8 31
9 A 12 LYS K H H X TS+ 0 0 -62.0 -31.0 178.1 51.9 111.0 35.3 5 -2.7 13 -1.9 0 0.0 0 0.0 10 41
10 A 13 THR T H H X TS+ 0 0 -70.8 -39.7 179.2 52.1 108.3 23.9 6 -1.9 14 -2.5 0 0.0 0 0.0 11 43
11 A 14 GLY G H H X TS+ 0 0 -62.0 -36.5 179.5 53.0 107.1 29.9 7 -2.3 15 -2.0 0 0.0 0 0.0 8 36
12 A 15 VAL V H H X TS+ 0 0 -64.8 -45.8 179.5 47.8 109.4 21.3 8 -2.0 16 -2.3 0 0.0 0 0.0 9 39
13 A 16 VAL V H H X TS+ 0 0 -61.6 -44.8 179.5 53.7 109.4 21.9 9 -1.9 17 -2.4 0 0.0 0 0.0 13 46
14 A 17 ARG R H H X TS+ 0 0 -55.7 -44.8 -179.5 47.3 110.3 23.8 10 -2.5 18 -2.0 0 0.0 0 0.0 9 39
15 A 18 ARG R H H X TS+ 0 0 -64.8 -41.4 -179.8 49.1 112.0 24.9 11 -2.0 19 -2.1 0 0.0 0 0.0 8 31
16 A 19 LEU L H H X TS+ 0 0 -68.1 -32.1 178.5 54.4 108.5 34.1 12 -2.3 20 -2.0 0 0.0 0 0.0 11 36
17 A 20 VAL V H H X TS+ 0 0 -67.2 -43.8 180.0 45.8 110.3 22.7 13 -2.4 21 -2.4 0 0.0 0 0.0 10 38
18 A 21 LYS K H H < TS+ 0 0 -67.0 -39.2 179.7 52.2 111.2 26.4 14 -2.0 0 0.0 0 0.0 0 0.0 7 29
19 A 22 GLU E H H < TS+ 0 0 -62.6 -42.4 178.9 49.4 110.0 22.3 15 -2.1 0 0.0 0 0.0 0 0.0 8 29
20 A 23 ARG R H H < T 0 0 -61.0 -47.5 179.1 999.9 999.9 20.1 16 -2.0 23 -2.8 0 0.0 0 0.0 10 33
21!A 24 VAL V h < T 0 0 -57.1 999.9 999.9 999.9 999.9 20.0 17 -2.4 24 -2.7 0 0.0 0 0.0 7 29
22!A 26 TYR Y h > T 0 0 999.9 -45.2 -179.5 999.9 999.9 999.9 0 0.0 26 -3.0 0 0.0 0 0.0 10 29
23 A 27 GLU E H H > T + 0 0 -61.9 -40.7 179.4 47.4 999.9 26.2 20 -2.8 27 -2.5 0 0.0 0 0.0 10 28
24 A 28 LYS K H H > TS+ 0 0 -65.0 -48.3 180.0 46.2 114.7 19.1 21 -2.7 28 -2.3 0 0.0 0 0.0 7 24
25 A 29 GLU E H H > TS+ 0 0 -60.4 -46.0 -179.3 45.5 115.7 23.4 0 0.0 29 -2.1 0 0.0 0 0.0 10 26
26 A 30 ALA A H H X TS+ 0 0 -66.2 -41.0 179.9 52.2 111.6 26.3 22 -3.0 30 -2.5 0 0.0 0 0.0 12 28
27 A 31 LYS K H H X TS+ 0 0 -60.5 -46.4 -179.3 47.8 110.9 22.1 23 -2.5 31 -2.0 0 0.0 0 0.0 8 24
28 A 32 GLN Q H H X TS+ 0 0 -62.9 -43.3 -179.2 45.0 114.4 25.7 24 -2.3 32 -1.6 0 0.0 0 0.0 8 24
29 A 33 GLN Q H H X TS+ 0 0 -71.8 -34.4 179.1 52.9 111.3 31.4 25 -2.1 33 -2.0 0 0.0 0 0.0 11 28
30 A 34 GLU E H H X TS+ 0 0 -68.0 -36.2 178.9 52.6 107.2 28.5 26 -2.5 34 -2.9 0 0.0 0 0.0 9 31
31 A 35 GLU E H H X TS+ 0 0 -63.7 -40.3 180.0 50.9 108.5 25.5 27 -2.0 35 -2.5 0 0.0 0 0.0 8 24
32 A 36 LYS K H H < TS+ 0 0 -64.1 -39.8 178.9 47.4 111.6 27.6 28 -1.6 0 0.0 0 0.0 0 0.0 7 30
33 A 37 ILE I H H < TS+ 0 0 -67.1 -44.6 179.6 50.4 111.1 23.0 29 -2.0 0 0.0 0 0.0 0 0.0 10 30
34 A 38 GLU E H H < T 0 0 -60.1 -40.3 179.7 999.9 999.9 24.6 30 -2.9 37 -1.4 0 0.0 0 0.0 7 24
35!A 39 LYS K h < T 0 0 -63.6 999.9 999.9 999.9 999.9 28.3 31 -2.5 0 0.0 0 0.0 0 0.0 7 20
36!A 41 ARG R t > T 0 0 999.9 -26.8 179.0 999.9 999.9 999.9 0 0.0 40 -1.2 0 0.0 0 0.0 10 20
37 A 42 ALA A T T 4 T + 0 0 -73.5 -16.6 -179.8 40.4 999.9 46.5 34 -1.4 0 0.0 0 0.0 0 0.0 6 14
38 A 43 GLU E T T 4 TS- 0 0 -94.0 -71.2 179.5 -4.8 142.7 24.9 0 0.0 0 0.0 0 0.0 0 0.0 5 14
39 A 44 ASP D T T 4 TS- 0 0 -115.7 27.1 178.3 -145.0 93.2 89.0 0 0.0 0 0.0 0 0.0 0 0.0 6 15
40 A 45 GLY G t < T - 0 0 48.7 -148.4 -179.6 -1.5 61.0 88.4 36 -1.2 42 -1.1 0 0.0 0 0.0 6 18
41 A 46 GLU E S S S+ 0 0 -78.6 100.1 179.8 131.0 92.2 130.4 0 0.0 0 0.0 0 0.0 0 0.0 6 18
42 A 47 ASN N t > T - 0 0 -142.0 179.4 -178.4 -71.5 69.1 146.8 40 -1.1 45 -2.1 0 0.0 0 0.0 8 18
43 A 48 TYR Y T h > > TS+ 0 0 -40.2 -55.3 -177.8 59.9 118.7 34.4 0 0.0 46 -2.1 0 0.0 47 -0.6 6 14
44 A 49 ASP D H H > 3 TS+ 0 0 -54.9 -19.1 179.7 71.0 91.8 46.5 0 0.0 48 -1.4 0 0.0 0 0.0 6 22
45 A 50 ILE I H H > < TS+ 0 0 -67.5 -30.9 -179.5 65.5 87.1 33.6 42 -2.1 49 -2.5 0 0.0 0 0.0 10 24
46 A 51 LYS K H H > < TS+ 0 0 -56.7 -49.4 179.2 46.2 102.1 22.0 43 -2.1 50 -1.9 0 0.0 0 0.0 8 21
47 A 52 LYS K H H X TS+ 0 0 -59.6 -46.0 -179.1 48.1 114.2 22.5 43 -0.6 51 -1.8 0 0.0 0 0.0 8 20
48 A 53 GLN Q H H X TS+ 0 0 -65.1 -34.1 179.4 55.2 108.1 32.4 44 -1.4 52 -2.5 0 0.0 0 0.0 10 29
49 A 54 ALA A H H X TS+ 0 0 -66.4 -38.1 179.5 52.5 105.6 28.7 45 -2.5 53 -2.7 0 0.0 0 0.0 9 28
50 A 55 GLU E H H X TS+ 0 0 -62.4 -45.3 179.9 46.5 111.1 21.8 46 -1.9 54 -1.2 0 0.0 0 0.0 8 21
51 A 56 ILE I H H < TS+ 0 0 -63.1 -44.0 179.3 51.6 112.1 23.6 47 -1.8 0 0.0 0 0.0 0 0.0 9 25
52 A 57 LEU L H H X > TS+ 0 0 -59.6 -47.8 -178.4 55.7 104.4 21.7 48 -2.5 56 -2.7 0 0.0 55 -1.8 12 27
53 A 58 GLN Q H H < 3 TS+ 0 0 -57.2 -31.6 -179.7 75.0 90.1 34.6 49 -2.7 0 0.0 0 0.0 0 0.0 8 26
54 A 59 GLU E T h < 3 TS+ 0 0 -51.4 -30.8 178.9 17.2 117.5 37.0 50 -1.2 0 0.0 0 0.0 0 0.0 6 25
55 A 60 SER S T T 4 < T 0 0 -107.2 -48.3 -177.8 999.9 999.9 38.3 52 -1.8 0 0.0 0 0.0 0 0.0 10 30
56!A 61 ARG R t < T 0 0 -57.2 999.9 999.9 999.9 999.9 34.6 52 -2.7 0 0.0 0 0.0 0 0.0 9 29
57!A 64 ILE I h > T 0 0 999.9 -49.9 179.9 999.9 999.9 999.9 0 0.0 61 -2.6 0 0.0 0 0.0 9 28
58 A 65 PRO P H H > T + 0 0 -55.2 -44.7 -179.7 45.5 999.9 22.8 0 0.0 62 -2.1 0 0.0 0 0.0 5 21
59 A 66 ASP D H H > TS+ 0 0 -64.5 -41.9 179.9 52.6 111.4 27.2 0 0.0 63 -2.7 0 0.0 0 0.0 6 25
60 A 67 A CYS C H H > TS+ 0 0 -61.7 -42.5 179.6 48.9 109.7 24.7 0 0.0 64 -2.5 0 0.0 0 0.0 10 30
61 A 68 GLN Q H H X TS+ 0 0 -63.9 -41.8 179.5 49.6 111.5 25.1 57 -2.6 65 -2.6 0 0.0 0 0.0 9 30
62 A 69 ARG R H H X TS+ 0 0 -62.7 -47.2 179.8 46.5 112.5 21.7 58 -2.1 66 -2.1 0 0.0 0 0.0 8 25
63 A 70 ARG R H H X TS+ 0 0 -62.2 -43.6 -179.9 49.6 113.3 23.4 59 -2.7 67 -2.5 0 0.0 0 0.0 9 30
64 A 71 LEU L H H X TS+ 0 0 -62.1 -45.8 179.7 49.3 110.2 22.5 60 -2.5 68 -2.5 0 0.0 0 0.0 11 37
65 A 72 GLU E H H X TS+ 0 0 -60.7 -40.7 -180.0 48.6 112.7 27.1 61 -2.6 69 -2.7 0 0.0 0 0.0 8 34
66 A 73 ALA A H H X TS+ 0 0 -65.9 -45.3 -179.8 45.0 113.6 22.8 62 -2.1 70 -2.3 0 0.0 0 0.0 8 29
67 A 74 ALA A H H X TS+ 0 0 -67.2 -34.1 179.6 52.1 113.8 32.2 63 -2.5 71 -2.4 0 0.0 0 0.0 11 40
68 A 75 TYR Y H H X TS+ 0 0 -66.2 -51.4 -179.5 43.5 112.1 16.1 64 -2.5 72 -2.6 0 0.0 0 0.0 11 44
69 A 76 LEU L H H X TS+ 0 0 -62.6 -37.9 -179.9 52.9 113.7 29.2 65 -2.7 73 -2.3 0 0.0 0 0.0 8 33
70 A 77 ASP D H H X TS+ 0 0 -64.0 -49.3 179.6 43.0 112.0 19.2 66 -2.3 74 -2.4 0 0.0 0 0.0 8 35
71 A 78 LEU L H H X TS+ 0 0 -64.3 -38.6 179.5 53.6 113.1 27.1 67 -2.4 75 -2.4 0 0.0 0 0.0 13 47
72 A 79 GLN Q H H X TS+ 0 0 -61.9 -41.3 179.9 48.2 109.8 24.7 68 -2.6 76 -2.0 0 0.0 0 0.0 10 42
73 A 80 ARG R H H X TS+ 0 0 -65.5 -44.3 179.9 51.8 109.8 23.6 69 -2.3 77 -2.1 0 0.0 0 0.0 8 29
74 A 81 ILE I H H X TS+ 0 0 -60.4 -45.1 179.1 47.1 111.0 23.0 70 -2.4 78 -0.5 0 0.0 0 0.0 9 38
75 A 82 LEU L H H < > TS+ 0 0 -63.9 -38.7 180.0 49.5 113.3 26.5 71 -2.4 78 -0.7 0 0.0 0 0.0 12 39
76 A 83 GLU E H H < 3 TS+ 0 0 -69.6 -29.9 -178.6 46.4 112.9 34.5 72 -2.0 0 0.0 0 0.0 0 0.0 7 29
77 A 84 ASN N H H < 3 TS+ 0 0 -93.5 2.2 -179.6 49.9 113.2 65.8 73 -2.1 0 0.0 0 0.0 0 0.0 6 21
78 A 85 GLU E h < X T + 0 0 -134.3 48.5 -178.7 147.5 60.7 108.1 75 -0.7 81 -2.2 74 -0.5 0 0.0 8 28
79 A 86 LYS K G G > T + 0 0 -59.2 -20.3 179.9 75.2 63.1 46.1 0 0.0 82 -1.5 0 0.0 0 0.0 7 22
80 A 87 ASP D G G 3 TS+ 0 0 -69.0 -10.7 -179.7 51.1 95.4 51.5 0 0.0 0 0.0 0 0.0 0 0.0 5 19
81 A 88 LEU L G G X TS+ 0 0 -106.4 5.0 -178.3 115.2 71.5 70.2 78 -2.2 84 -2.8 0 0.0 0 0.0 8 27
82 A 89 GLU E T g < TS+ 0 0 -50.5 -19.8 -179.7 56.6 74.0 48.9 79 -1.5 0 0.0 0 0.0 0 0.0 9 26
83 A 90 GLU E T T 3 TS+ 0 0 -90.6 -9.9 179.7 108.0 82.0 54.5 0 0.0 0 0.0 0 0.0 0 0.0 7 21
84 A 91 ALA A S h > < TS- 0 0 -68.9 141.4 179.7 -128.6 74.9 114.2 81 -2.8 88 -2.2 0 0.0 0 0.0 7 25
85 A 92 GLU E H H > TS+ 0 0 -56.4 -43.0 -180.0 52.7 110.0 26.6 0 0.0 89 -2.4 0 0.0 0 0.0 6 24
86 A 93 GLU E H H > TS+ 0 0 -63.2 -34.6 179.5 51.9 107.7 31.4 0 0.0 90 -2.5 0 0.0 0 0.0 9 35
87 A 94 TYR Y H H > TS+ 0 0 -67.5 -46.6 179.6 44.9 111.9 21.1 0 0.0 91 -2.1 0 0.0 0 0.0 14 38
88 A 95 LYS K H H X TS+ 0 0 -65.4 -35.1 178.6 51.3 113.7 29.5 84 -2.2 92 -1.6 0 0.0 0 0.0 10 33
89 A 96 GLU E H H X TS+ 0 0 -65.5 -44.7 -179.1 51.9 108.4 22.4 85 -2.4 93 -2.0 0 0.0 0 0.0 8 33
90 A 97 ALA A H H X TS+ 0 0 -59.3 -42.8 179.6 52.7 106.7 26.5 86 -2.5 94 -2.5 0 0.0 0 0.0 12 46
91 A 98 ARG R H H X TS+ 0 0 -61.1 -39.1 -179.8 53.1 107.2 27.4 87 -2.1 95 -2.3 0 0.0 0 0.0 10 42
92 A 99 LEU L H H X TS+ 0 0 -63.2 -43.2 179.4 47.5 110.0 23.3 88 -1.6 96 -1.2 0 0.0 0 0.0 8 32
93 A 100 VAL V H H X TS+ 0 0 -63.7 -46.5 -179.7 50.4 111.2 21.8 89 -2.0 97 -1.2 0 0.0 0 0.0 11 38
94 A 101 LEU L H H X > TS+ 0 0 -57.4 -45.9 -177.4 47.6 111.8 22.0 90 -2.5 98 -1.7 0 0.0 97 -0.7 12 40
95 A 102 A ASP D H H X 3 TS+ 0 0 -71.6 -20.4 178.0 58.7 105.4 42.7 91 -2.3 99 -2.0 0 0.0 0 0.0 8 27
96 A 103 SER S H H < 3 TS+ 0 0 -77.5 -22.8 178.8 52.6 104.7 41.7 92 -1.2 0 0.0 0 0.0 0 0.0 7 29
97 A 104 VAL V H H < < TS+ 0 0 -75.1 -43.2 -179.7 48.8 109.0 26.6 93 -1.2 0 0.0 94 -0.7 0 0.0 8 36
98 A 105 LYS K H H < T 0 0 -62.4 -46.7 179.8 999.9 999.9 22.9 94 -1.7 0 0.0 0 0.0 0 0.0 5 24
99 A 106 LEU L h < T 0 0 -63.3 999.9 999.9 999.9 999.9 14.4 95 -2.0 0 0.0 0 0.0 0 0.0 4 15
1h7cA.pdb
1H7C CHAPERONE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHHHHHHHHHHH HHHHHHHHHHHH TTT S THHHHHHHHHHTT HHHHHHHHHHHHHHHHHHHH GGGTTSHHHHHHHHHHHHHH Kabs/Sand
chirality ++++++++++++++++++ +++++++++++ +---+-++++++++++++ ++++++++++++++++++++++++++-+++++++++++++ chirality
bends SSSSSSSSSSSSSSSSS SSSSSSSSSS SS S SSSSSSSSSSSS SSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >>3<< >33< >33X>3X<3< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXXXXXXXXXXX<<<<>>>>XXXXXX<<<<>444< >>>>XXXX>>>XXXXXXXXXXXXXX<<<< >>>>XXXXXXXX<<<< 4-turns
summary hHHHHHHHHHHHHHHHHHHHhhHHHHHHHHHHHHhtTTTtSthHHHHHHHHHHhTthHHHHHHHHHHHHHHHHHHHHhGGGgThHHHHHHHHHHHHHHh summary
sequence PRVRQIKIKTGVVRRLVKERVYEKEAKQQEEKIEKRAEDGENYDIKKQAEILQESRIPDCQRRLEAAYLDLQRILENEKDLEEAEEYKEARLVLDSVKL sequence
10 20 30 40 50 60 70 80 90
Messages
chain break between 21(A 24 ) and 22(A 26 )
chain break between 35(A 39 ) and 36(A 41 )
chain break between 56(A 61 ) and 57(A 64 )