Secondary structure calculation program - copyright by David Keith Smith, 1989
1eh2-.pdb
1EH2 CALCIUM BINDING MOL_ID: 1; MOL_ID: 1;
Sequence length - 95
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 6 PRO P 0 0 999.9 -165.0 179.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 17
2 7 TRP W - 0 0 -74.0 130.9 -179.9 -124.2 999.9 123.0 0 0.0 0 0.0 0 0.0 0 0.0 8 33
3 8 ALA A S S S+ 0 0 -44.9 -27.7 180.0 75.6 98.3 35.9 88 -3.8 0 0.0 0 0.0 0 0.0 7 38
4 9 VAL V S S S- 0 0 -89.8 137.6 180.0 -142.8 79.5 134.6 0 0.0 0 0.0 0 0.0 0 0.0 10 37
5 10 LYS K h > T - 0 0 -92.8 168.3 179.3 -110.1 24.7 119.3 0 0.0 9 -3.0 0 0.0 0 0.0 7 28
6 11 PRO P H H > TS+ 0 0 -65.9 -34.6 178.9 50.9 122.0 30.0 0 0.0 10 -0.9 0 0.0 0 0.0 6 21
7 12 GLU E H H > TS+ 0 0 -73.7 -25.0 178.8 45.4 113.9 36.2 0 0.0 11 -1.1 0 0.0 0 0.0 6 20
8 13 ASP D H H > TS+ 0 0 -84.0 -38.4 179.1 53.9 108.8 28.9 0 0.0 12 -2.4 0 0.0 0 0.0 10 30
9 14 LYS K H H X TS+ 0 0 -67.8 -17.5 179.3 57.2 105.9 42.2 5 -3.0 13 -1.5 0 0.0 0 0.0 10 35
10 15 ALA A H H X TS+ 0 0 -80.2 -40.4 178.4 38.2 111.8 25.1 6 -0.9 14 -0.5 0 0.0 0 0.0 8 25
11 16 LYS K H H X TS+ 0 0 -79.2 -24.1 178.1 53.5 117.1 37.3 7 -1.1 15 -1.9 0 0.0 0 0.0 8 28
12 17 TYR Y H H X TS+ 0 0 -75.1 -35.7 179.9 50.8 107.1 28.9 8 -2.4 16 -2.3 0 0.0 0 0.0 12 46
13 18 ASP D H H X TS+ 0 0 -76.7 -11.7 178.2 47.7 112.4 48.7 9 -1.5 17 -0.7 0 0.0 0 0.0 10 37
14 19 ALA A H H < TS+ 0 0 -94.8 -34.3 177.7 43.9 114.7 36.1 10 -0.5 0 0.0 0 0.0 0 0.0 8 33
15 20 ILE I H H < TS+ 0 0 -75.8 -32.7 178.8 53.8 112.9 31.7 11 -1.9 0 0.0 0 0.0 0 0.0 8 45
16 21 PHE F H H < > TS+ 0 0 -68.2 -38.0 179.7 40.5 114.2 26.2 12 -2.3 19 -0.7 0 0.0 0 0.0 14 46
17 22 ASP D T h < 3 TS+ 0 0 -89.7 1.7 178.7 72.1 102.5 62.8 13 -0.7 0 0.0 0 0.0 0 0.0 8 35
18 23 SER S T T 3 TS+ 0 0 -92.8 0.1 179.7 49.4 97.9 62.6 0 0.0 0 0.0 0 0.0 0 0.0 7 33
19 24 LEU L S t < TS- 0 0 -113.8 -2.1 -178.9 -95.4 126.3 67.9 16 -0.7 0 0.0 0 0.0 0 0.0 10 35
20 25 SER S - 0 0 82.7 89.8 -179.4 -137.1 41.2 26.9 0 0.0 0 0.0 0 0.0 0 0.0 8 27
21 26 PRO P - 0 0 -75.3 150.8 179.6 -141.6 5.1 114.0 0 0.0 23 -0.6 0 0.0 0 0.0 11 30
22 27 VAL V S S S- 0 0 -117.6 96.9 -179.3 -42.5 75.3 147.8 25 -3.6 0 0.0 0 0.0 0 0.0 6 27
23 28 ASN N S S S- 0 0 56.9 20.5 179.9 -32.9 131.7 39.7 21 -0.6 0 0.0 0 0.0 0 0.0 4 19
24 29 GLY G S S S+ 0 0 105.5 32.3 -179.7 94.9 124.9 42.3 0 0.0 62 -0.8 0 0.0 0 0.0 7 31
25 30 PHE F - 0 0 -150.0 158.6 178.2 -152.4 52.7 173.2 0 0.0 22 -3.6 0 0.0 0 0.0 10 39
26 31 LEU L - 0 0 -135.2 132.5 -179.5 -128.5 21.2 174.3 0 0.0 60 -2.3 0 0.0 0 0.0 17 42
27 32 SER S B h > A > T - 59 0 -80.7 140.2 179.7 -114.9 28.0 125.2 0 0.0 30 -4.8 0 0.0 31 -1.5 9 39
28 33 GLY G H H > 3 TS+ 0 0 -42.5 -26.4 179.9 74.9 115.5 36.6 58 -2.8 32 -2.8 0 0.0 0 0.0 9 46
29 34 ASP D H H 4 3 TS+ 0 0 -62.8 -16.4 179.5 31.2 107.3 43.1 0 0.0 0 0.0 0 0.0 0 0.0 7 32
30 35 LYS K H H > < TS+ 0 0 -107.6 -42.2 179.7 41.7 125.0 39.7 27 -4.8 34 -1.1 0 0.0 0 0.0 10 39
31 36 VAL V H H X TS+ 0 0 -74.3 -35.7 -179.4 67.1 104.7 29.2 27 -1.5 35 -1.2 0 0.0 0 0.0 14 57
32 37 LYS K H H X > TS+ 0 0 -49.4 -54.6 179.3 39.2 107.1 17.7 28 -2.8 35 -1.2 0 0.0 36 -1.1 9 47
33 38 PRO P H H > 3 TS+ 0 0 -65.1 -30.3 179.1 56.5 114.0 33.1 0 0.0 37 -2.0 0 0.0 0 0.0 8 36
34 39 VAL V H H < 3 TS+ 0 0 -76.4 -10.3 179.0 49.2 107.2 51.4 30 -1.1 0 0.0 0 0.0 0 0.0 9 51
35 40 LEU L H H < <>TS+ 0 0 -100.9 -16.1 179.5 51.7 109.4 51.4 31 -1.2 40 -0.5 32 -1.2 0 0.0 12 50
36 41 LEU L H H < >5TS+ 0 0 -87.2 -40.7 179.3 66.0 94.8 28.7 32 -1.1 39 -3.4 0 0.0 0 0.0 11 32
37 42 ASN N T h < 35TS+ 0 0 -52.3 -20.8 179.4 76.0 87.0 37.2 33 -2.0 0 0.0 0 0.0 0 0.0 7 32
38 43 SER S T T 35TS- 0 0 -66.9 -6.1 -179.6 -124.4 109.5 53.5 0 0.0 0 0.0 0 0.0 0 0.0 9 35
39 44 LYS K T T <5T + 0 0 72.4 9.5 179.9 134.2 68.7 51.0 36 -3.4 0 0.0 0 0.0 0 0.0 7 29
40 45 LEU L t > T - 0 0 -74.5 164.3 -179.8 -102.2 35.4 105.3 0 0.0 45 -1.7 0 0.0 44 -0.9 7 30
42 47 VAL V H H > 3 TS+ 0 0 -64.8 -8.8 179.1 71.5 118.6 49.6 0 0.0 46 -0.7 0 0.0 0 0.0 7 31
43 48 ASP D H H > 3 TS+ 0 0 -73.8 -40.2 178.3 42.5 100.3 22.6 0 0.0 47 -2.2 0 0.0 0 0.0 7 29
44 49 ILE I H H > <>TS+ 0 0 -68.3 -47.7 178.8 49.6 114.8 15.4 41 -0.9 48 -3.0 0 0.0 49 -0.7 12 42
45 50 LEU L H H < 5TS+ 0 0 -62.6 -17.4 179.3 51.0 112.7 42.7 41 -1.7 0 0.0 0 0.0 0 0.0 14 50
46 51 GLY G H H X 5TS+ 0 0 -88.7 -33.7 179.3 27.5 123.3 34.2 42 -0.7 50 -0.8 0 0.0 0 0.0 8 42
47 52 ARG R H H X 5TS+ 0 0 -91.8 -55.8 179.1 49.0 122.1 24.3 43 -2.2 51 -2.9 0 0.0 0 0.0 11 45
48 53 VAL V H H X 5TS+ 0 0 -47.6 -58.5 178.8 48.2 114.2 14.9 44 -3.0 52 -1.4 0 0.0 0 0.0 15 55
49 54 TRP W H H > > T - 0 0 -69.7 173.0 -179.6 -90.2 42.7 99.1 0 0.0 65 -4.3 0 0.0 0 0.0 12 46
62 67 ARG R H H > TS+ 0 0 -55.4 -31.7 179.9 39.2 133.1 31.3 24 -0.8 66 -0.5 0 0.0 0 0.0 12 51
63 68 ASP D H H > TS+ 0 0 -87.8 -32.5 179.5 44.3 120.2 34.0 0 0.0 67 -1.2 0 0.0 0 0.0 8 54
64 69 GLU E H H > TS+ 0 0 -78.2 -39.3 179.2 52.2 111.6 25.8 0 0.0 68 -0.8 0 0.0 0 0.0 12 64
65 70 PHE F H H X TS+ 0 0 -65.6 -27.6 179.5 60.8 103.9 32.9 61 -4.3 69 -0.6 0 0.0 0 0.0 16 64
66 71 ALA A H H X > TS+ 0 0 -64.4 -45.4 179.9 53.5 99.3 19.1 62 -0.5 69 -1.5 0 0.0 70 -1.4 16 59
67 72 VAL V H H X 3 TS+ 0 0 -61.6 -20.3 -178.9 55.2 107.0 42.2 63 -1.2 71 -0.6 0 0.0 0 0.0 16 66
68 73 ALA A H H < 3 TS+ 0 0 -90.4 -11.1 -179.7 55.4 102.4 52.7 64 -0.8 0 0.0 0 0.0 0 0.0 13 76
69 74 MET M H H X < TS+ 0 0 -89.1 -41.5 179.1 37.8 112.6 26.8 66 -1.5 73 -2.7 65 -0.6 0 0.0 10 65
70 75 PHE F H H X TS+ 0 0 -79.0 -23.3 178.2 57.8 114.1 37.0 66 -1.4 74 -0.9 0 0.0 0 0.0 10 58
71 76 LEU L H H < TS+ 0 0 -74.6 -23.6 178.7 35.9 116.5 37.5 67 -0.6 0 0.0 0 0.0 0 0.0 12 61
72 77 VAL V H H > > TS+ 0 0 -91.0 -59.0 -179.9 54.9 111.9 23.9 0 0.0 75 -3.3 0 0.0 76 -1.0 15 53
73 78 TYR Y H H X 3 TS+ 0 0 -47.8 -22.7 -179.8 57.9 105.8 41.1 69 -2.7 77 -1.2 0 0.0 0 0.0 9 44
74 79 CYS C H H X 3>TS+ 0 0 -83.7 -16.9 179.8 56.6 99.6 45.1 70 -0.9 78 -1.5 0 0.0 79 -1.2 11 36
75 80 ALA A H H 4 <5TS+ 0 0 -86.8 -14.2 179.2 52.0 105.3 48.3 72 -3.3 0 0.0 0 0.0 0 0.0 12 34
76 81 LEU L H H < 5TS+ 0 0 -86.7 -40.4 179.5 39.7 114.8 28.8 72 -1.0 0 0.0 0 0.0 0 0.0 10 26
77 82 GLU E H H < 5TS- 0 0 -72.9 -54.5 179.8 -76.9 133.1 13.6 73 -1.2 0 0.0 0 0.0 0 0.0 6 17
78 83 LYS K T h < 5TS+ 0 0 178.0 -23.7 -178.7 110.1 95.1 73.8 74 -1.5 0 0.0 0 0.0 0 0.0 6 17
79 84 GLU E t > T - 0 0 -73.7 149.3 -178.9 -125.3 11.8 113.7 0 0.0 90 -1.0 0 0.0 89 -0.7 6 32
87 92 PRO P T T 4 3 TS+ 0 0 -72.5 -4.0 -179.7 61.4 108.1 60.3 0 0.0 0 0.0 0 0.0 0 0.0 6 23
88 93 ALA A T T 4 3 TS+ 0 0 -94.7 -23.4 179.8 39.6 108.7 43.7 0 0.0 3 -3.8 0 0.0 0 0.0 8 28
89 94 LEU L T T 4 < TS+ 0 0 -98.2 -14.4 -179.8 89.6 100.5 53.5 86 -0.7 0 0.0 0 0.0 0 0.0 10 42
90 95 VAL V S t < TS- 0 0 -87.9 136.5 179.9 -127.9 76.3 133.6 86 -1.0 0 0.0 0 0.0 0 0.0 13 39
91 96 PRO P t > T - 0 0 -72.5 173.3 -179.7 -98.3 30.9 98.0 0 0.0 94 -1.3 0 0.0 0 0.0 10 31
92 97 PRO P T T 3 TS+ 0 0 -72.6 -2.6 179.7 73.6 117.3 59.6 0 0.0 0 0.0 0 0.0 0 0.0 5 19
93 98 SER S T T 3 TS+ 0 0 -84.6 -18.2 179.1 56.1 90.0 44.1 0 0.0 0 0.0 0 0.0 0 0.0 5 23
94 99 LYS K t < T 0 0 -89.7 -0.8 179.9 999.9 999.9 60.8 91 -1.3 0 0.0 0 0.0 0 0.0 6 24
95 100 ARG R 0 0 -77.8 999.9 999.9 999.9 999.9 111.6 0 0.0 0 0.0 0 0.0 0 0.0 4 13
1eh2-.pdb
1EH2 CALCIUM BINDING MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SS HHHHHHHHHHHTTS SSS BHHHHHHHHHTTT HHHHHHHHHHH SS SSB HHHHHHHHHHHHHHHHT SS TTTS TT Kabs/Sand
chirality -+--+++++++++++++-----+---++++++++++-+--+++++++++++-+-+-+---+++++++++++++++-+----+---+++--++ chirality
bends SS SSSSSSSSSSSSSS SSS SSSSSSSSSSS SSSSSSSSSSS SS SS SSSSSSSSSSSSSSSSS SS SSSS SS bends
turns TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTTTTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >33< >33< >33<>33< >33< >33< >33< >33< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 A A bridge-1
sheets sheets
4-turns >>>>XXXXX<<<< >>4>XX><<<< >>>><<<< >>>>XXXXX4<<< >444< 4-turns
summary SShHHHHHHHHHHHhTt SSS hHHHHHHHHHhTTthHHHHHHHHHHHhSS SSB hHHHHHHHHHHHHHHHHht SS tTTTttTTt summary
sequence PWAVKPEDKAKYDAIFDSLSPVNGFLSGDKVKPVLLNSKLPVDILGRVWELSDIDHDGMLDRDEFAVAMFLVYCALEKEPVPMSLPPALVPPSKR sequence
10 20 30 40 50 60 70 80 90