Secondary structure calculation program - copyright by David Keith Smith, 1989
1ehxA.pdb
1EHX UNKNOWN FUNCTION MOL_ID: 1; MOL_ID: 1;
Sequence length - 94
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 1 MET M 0 0 999.9 51.8 180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 18
2 A 2 GLN Q - 0 0 -107.6 178.6 -179.9 -128.9 999.9 119.8 0 0.0 0 0.0 0 0.0 0 0.0 8 25
3 A 3 ASP D + 0 0 -124.9 49.5 179.7 157.0 44.2 108.6 0 0.0 0 0.0 0 0.0 0 0.0 7 26
4 A 4 PRO P - 0 0 -78.0 136.1 -179.8 -155.7 26.7 124.3 0 0.0 6 -0.6 0 0.0 0 0.0 14 37
5 A 5 THR T E E AA + 26 0 -118.9 105.9 -179.9 141.2 30.7 154.4 26 -2.0 26 -3.0 0 0.0 0 0.0 9 35
6 A 6 ILE I E E AA - 25 0 -129.9 -176.8 179.7 -43.1 53.1 133.7 4 -0.6 0 0.0 0 0.0 0 0.0 9 47
7 A 7 ASN N S e S- 0 0 -39.9 168.8 -179.0 -74.0 78.3 77.5 24 -0.8 0 0.0 0 0.0 0 0.0 9 39
8 A 8 PRO P - 0 0 -51.1 -157.9 -179.1 -113.0 40.8 62.8 0 0.0 0 0.0 0 0.0 0 0.0 8 31
9 A 9 THR T S e S+ 0 0 -126.6 -1.2 -179.8 21.4 87.1 68.0 0 0.0 82 -3.0 0 0.0 0 0.0 8 31
10 A 10 SER S E E Bb + 82 0 -170.2 140.5 179.1 169.6 54.5 155.0 0 0.0 0 0.0 0 0.0 0 0.0 10 30
11 A 11 ILE I E E Bb - 83 0 -146.5 165.2 -179.8 -144.2 16.9 159.8 82 -2.5 84 -2.4 0 0.0 0 0.0 9 35
12 A 12 SER S E E Bb + 84 0 -141.7 136.8 179.5 130.8 30.7 175.7 0 0.0 0 0.0 0 0.0 0 0.0 8 39
13 A 13 ALA A E E Bb - 85 0 -170.8 163.2 179.3 -76.9 57.2 165.5 84 -2.4 86 -2.0 0 0.0 0 0.0 11 39
14 A 14 LYS K t > T - 0 0 -70.5 140.2 -179.6 -96.9 59.4 117.2 0 0.0 17 -1.8 0 0.0 16 -1.0 13 35
15 A 15 ALA A T T 3 TS+ 0 0 -63.5 101.3 -178.4 25.8 118.2 115.7 0 0.0 0 0.0 0 0.0 0 0.0 17 38
16 A 16 GLY G T T 3 TS+ 0 0 136.3 -37.1 178.3 89.0 95.1 101.6 14 -1.0 0 0.0 0 0.0 0 0.0 13 34
17 A 17 SER S t < T + 0 0 -69.4 9.7 -179.0 100.7 66.6 68.6 14 -1.8 19 -1.1 0 0.0 0 0.0 8 34
18 A 18 PHE F - 0 0 -98.9 74.9 179.9 -174.6 59.1 129.0 0 0.0 0 0.0 0 0.0 0 0.0 12 41
19 A 19 ALA A - 0 0 -68.5 152.3 -179.3 -60.0 51.1 108.7 17 -1.1 0 0.0 0 0.0 0 0.0 7 31
20 A 20 ASP D - 0 0 -34.4 114.8 -179.2 -171.4 66.7 91.1 0 0.0 0 0.0 0 0.0 0 0.0 8 30
21 A 21 THR T E E AC - 52 0 -124.3 121.4 -179.8 -148.0 15.4 165.4 52 -2.0 52 -2.9 0 0.0 23 -0.6 9 35
22 A 22 LYS K E E AC - 51 0 -91.0 119.6 -179.9 -159.7 16.8 140.4 0 0.0 0 0.0 0 0.0 0 0.0 8 34
23 A 23 ILE I E E AC - 50 0 -94.9 158.6 -179.8 -124.5 14.1 125.2 50 -3.2 50 -2.2 21 -0.6 25 -0.5 10 45
24 A 24 THR T E E AC - 49 0 -109.9 121.7 -179.6 -165.6 16.6 156.5 0 0.0 26 -0.8 0 0.0 7 -0.8 9 39
25 A 25 LEU L E E AA - 6 0 -107.7 92.5 -179.9 -153.2 11.0 144.5 48 -2.3 0 0.0 23 -0.5 0 0.0 13 43
26 A 26 THR T E E AA + 5 0 -69.6 109.9 -179.9 174.3 19.2 122.2 5 -3.0 5 -2.0 24 -0.8 0 0.0 11 33
27 A 27 PRO P t > T + 0 0 -100.0 16.1 -177.9 141.0 26.7 85.5 0 0.0 30 -0.7 0 0.0 0 0.0 10 31
28 A 28 ASN N T T 3 TS- 0 0 -37.2 -13.8 179.3 -5.9 97.7 52.1 0 0.0 0 0.0 0 0.0 0 0.0 7 19
29 A 29 GLY G T T 3 TS+ 0 0 -168.2 13.4 -178.7 65.2 130.3 76.8 0 0.0 0 0.0 0 0.0 0 0.0 8 22
30 A 30 ASN N t < T - 0 0 -140.3 169.6 179.4 -132.5 62.6 153.3 27 -0.7 0 0.0 0 0.0 0 0.0 10 29
31 A 31 THR T - 0 0 -125.2 158.1 -179.9 -145.7 10.9 150.8 0 0.0 0 0.0 0 0.0 0 0.0 9 33
32 A 32 PHE F + 0 0 -128.3 135.6 -179.9 174.6 16.7 169.6 0 0.0 0 0.0 0 0.0 0 0.0 12 46
33 A 33 ASN N - 0 0 -101.3 -55.5 -179.9 -69.5 56.5 32.2 71 -3.2 0 0.0 0 0.0 0 0.0 8 39
34 A 34 GLY G - 0 0 171.4 168.6 179.7 -89.3 38.0 159.8 0 0.0 71 -2.2 0 0.0 36 -0.9 11 42
35 A 35 ILE I B B A > T - 70 0 -103.5 92.8 -178.8 -177.4 32.9 143.8 0 0.0 38 -1.7 0 0.0 0 0.0 11 49
36 A 36 SER S G G > TS+ 0 0 -55.7 -43.9 179.2 72.9 77.8 26.7 34 -0.9 39 -0.8 69 -0.6 0 0.0 9 31
37 A 37 GLU E G G 3 TS+ 0 0 -41.5 -31.2 177.7 29.2 114.4 34.4 0 0.0 0 0.0 0 0.0 0 0.0 8 37
38 A 38 LEU L G G < TS- 0 0 -135.5 85.2 -178.6 -121.6 102.3 138.7 35 -1.7 0 0.0 0 0.0 0 0.0 9 38
39 A 39 GLN Q g X T - 0 0 -31.8 89.1 179.9 -106.5 40.5 87.0 36 -0.8 41 -1.6 0 0.0 42 -1.5 9 28
40 A 40 SER S G G > TS+ 0 0 8.3 -41.9 179.5 79.9 118.0 68.3 0 0.0 43 -2.7 0 0.0 0 0.0 10 34
41 A 41 SER S G G 3 TS+ 0 0 -50.6 -27.7 179.0 64.4 84.1 35.7 39 -1.6 0 0.0 0 0.0 0 0.0 6 28
42 A 42 GLN Q G e < TS+ 0 0 -63.7 -32.2 -179.4 22.1 116.4 35.3 39 -1.5 53 -1.4 0 0.0 0 0.0 11 38
43 A 43 TYR Y E E AD < TS- 52 0 -123.9 -173.5 179.5 -119.3 76.8 125.5 40 -2.7 0 0.0 0 0.0 0 0.0 12 44
44 A 44 THR T E E AD - 51 0 -136.7 91.0 -178.5 -159.4 31.3 145.6 51 -3.5 51 -2.4 0 0.0 0 0.0 10 34
45 A 45 LYS K E E AD - 50 0 -68.8 163.2 179.7 -169.3 10.2 101.3 0 0.0 0 0.0 0 0.0 0 0.0 9 38
46 A 46 GLY G E E AD > T - 49 0 -156.8 73.4 -179.8 -94.3 45.7 116.9 49 -3.7 49 -1.1 0 0.0 0 0.0 7 31
47 A 47 THR T T T 3 TS+ 0 0 10.0 107.1 -179.4 13.1 118.2 51.8 0 0.0 0 0.0 0 0.0 0 0.0 7 31
48 A 48 ASN N T e 3 TS+ 0 0 91.8 -14.2 179.4 45.6 136.3 79.1 0 0.0 25 -2.3 0 0.0 0 0.0 10 33
49 A 49 GLU E E E ACD< T - 24 46 -151.3 165.3 179.5 -170.6 60.9 163.9 46 -1.1 46 -3.7 0 0.0 0 0.0 11 39
50 A 50 VAL V E E ACD - 23 45 -165.6 132.4 -179.3 -154.9 7.6 153.7 23 -2.2 23 -3.2 0 0.0 0 0.0 13 45
51 A 51 THR T E E ACD - 22 44 -112.5 143.0 178.9 -139.8 12.8 151.5 44 -2.4 44 -3.5 0 0.0 0 0.0 12 41
52 A 52 LEU L E E ACD - 21 43 -101.5 145.3 -178.7 -129.4 16.4 139.9 21 -2.9 21 -2.0 0 0.0 54 -0.6 13 53
53 A 53 LEU L h > > T - 0 0 -99.9 124.4 179.4 -133.3 12.0 146.7 42 -1.4 56 -2.0 0 0.0 57 -1.2 13 34
54 A 54 ALA A H H > 3 TS+ 0 0 -45.6 -11.7 -180.0 74.4 102.8 52.5 52 -0.6 58 -1.9 0 0.0 0 0.0 13 36
55 A 55 SER S H H > 3 TS+ 0 0 -70.4 -47.5 178.9 33.4 103.2 19.1 0 0.0 59 -1.1 0 0.0 0 0.0 8 29
56 A 56 TYR Y H H > X TS+ 0 0 -69.0 -59.9 179.8 46.4 122.5 10.8 53 -2.0 60 -2.0 0 0.0 59 -0.7 10 43
57 A 57 LEU L H H < 3 TS+ 0 0 -49.2 -47.6 179.5 47.7 115.0 25.9 53 -1.2 0 0.0 0 0.0 0 0.0 13 49
58 A 58 ASN N H H < 3 TS+ 0 0 -65.8 -28.1 -179.6 58.3 107.6 37.3 54 -1.9 0 0.0 0 0.0 0 0.0 12 35
59 A 59 THR T H H < < TS+ 0 0 -70.0 -35.4 -179.9 109.7 79.6 31.6 55 -1.1 0 0.0 56 -0.7 0 0.0 9 34
60 A 60 LEU L S h < TS- 0 0 -44.1 131.2 -180.0 -119.8 73.2 96.3 56 -2.0 0 0.0 0 0.0 0 0.0 10 37
61 A 61 PRO P - 0 0 -57.0 -161.2 -179.8 -40.4 53.5 68.4 0 0.0 0 0.0 0 0.0 0 0.0 9 28
62 A 62 GLU E S S S- 0 0 -51.8 -168.9 -178.8 -18.9 113.2 70.2 0 0.0 64 -2.5 0 0.0 0 0.0 9 26
63 A 63 ASN N S S S+ 0 0 -39.1 67.8 179.5 165.4 88.4 91.2 0 0.0 0 0.0 0 0.0 0 0.0 11 30
64 A 64 THR T E E BE - 85 0 -95.0 146.6 -179.7 -134.3 39.4 134.1 62 -2.5 85 -3.3 85 -2.2 66 -1.0 9 34
65 A 65 THR T E E BE - 84 0 -101.7 78.6 179.7 -167.1 27.1 131.8 0 0.0 0 0.0 0 0.0 0 0.0 8 33
66 A 66 LYS K E E BE - 83 0 -65.2 139.9 -179.4 -156.8 3.8 111.3 83 -1.7 83 -1.9 64 -1.0 0 0.0 11 46
67 A 67 THR T E E BE - 82 0 -128.3 103.3 179.2 -149.5 10.9 151.6 0 0.0 69 -2.3 0 0.0 0 0.0 10 45
68 A 68 LEU L E E BE - 81 0 -68.8 81.5 -178.7 -169.8 20.5 116.8 81 -3.1 81 -1.9 0 0.0 70 -1.7 12 57
69 A 69 THR T E E BE - 80 0 -80.5 85.9 -179.9 -159.1 6.0 126.2 67 -2.3 71 -0.8 0 0.0 36 -0.6 13 49
70 A 70 PHE F B e A - 35 0 -69.9 106.8 -179.2 -135.3 15.0 122.8 68 -1.7 72 -1.1 79 -1.5 0 0.0 14 55
71 A 71 ASP D + 0 0 -69.3 100.3 179.6 164.6 36.5 120.8 34 -2.2 33 -3.2 69 -0.8 0 0.0 13 46
72 A 72 PHE F - 0 0 -105.3 28.5 -179.8 -95.0 67.7 93.1 70 -1.1 0 0.0 0 0.0 0 0.0 14 42
73 A 73 GLY G S S S+ 0 0 75.1 -7.6 179.9 78.3 119.4 68.3 0 0.0 0 0.0 0 0.0 0 0.0 9 31
74 A 74 VAL V t > > T + 0 0 -126.2 45.5 -179.9 158.4 47.5 105.6 0 0.0 77 -2.6 0 0.0 78 -1.4 9 28
75 A 75 GLY G T T 4 3 T + 0 0 -39.1 -29.8 179.9 86.9 60.6 41.0 0 0.0 0 0.0 0 0.0 0 0.0 10 29
76 A 76 THR T T T 4 3 TS- 0 0 -39.8 -46.4 179.8 -10.1 123.3 31.4 0 0.0 0 0.0 0 0.0 0 0.0 5 21
77 A 77 LYS K T T 4 < TS+ 0 0 -142.6 17.5 179.9 157.7 94.9 82.7 74 -2.6 0 0.0 0 0.0 0 0.0 7 29
78 A 78 ASN N t < T - 0 0 -45.1 151.5 -179.8 -78.5 61.9 89.9 74 -1.4 80 -0.9 0 0.0 0 0.0 12 37
79 A 79 PRO P e - 0 0 -60.6 98.5 179.1 -167.7 54.6 113.4 0 0.0 70 -1.5 0 0.0 81 -0.6 16 44
80 A 80 LYS K E E B E - 0 69 -94.0 121.3 -179.2 -154.3 10.7 144.1 78 -0.9 82 -1.1 0 0.0 0 0.0 12 43
81 A 81 LEU L E E B E - 0 68 -98.5 85.4 -179.2 -161.1 7.8 135.7 68 -1.9 68 -3.1 79 -0.6 83 -1.5 14 48
82 A 82 THR T E E BbE - 10 67 -69.7 89.8 179.0 -174.5 14.1 119.4 9 -3.0 11 -2.5 80 -1.1 0 0.0 11 37
83 A 83 ILE I E E BbE - 11 66 -90.9 130.7 -179.8 -139.9 17.1 137.9 66 -1.9 66 -1.7 81 -1.5 85 -0.6 12 49
84 A 84 THR T E E BbE - 12 65 -94.6 119.1 -179.9 -161.6 12.3 144.1 11 -2.4 13 -2.4 0 0.0 86 -0.7 14 42
85 A 85 VAL V E E BbE + 13 64 -104.2 106.3 179.8 164.3 18.8 150.0 64 -3.3 64 -2.2 83 -0.6 0 0.0 18 40
86 A 86 LEU L e + 0 0 -123.9 86.6 -180.0 164.8 7.8 140.7 13 -2.0 0 0.0 84 -0.7 0 0.0 13 34
87 A 87 PRO P + 0 0 -68.7 -27.8 -180.0 97.3 54.4 37.9 0 0.0 0 0.0 0 0.0 0 0.0 11 30
88 A 88 LYS K S S S- 0 0 -65.2 136.3 -180.0 -115.4 85.2 112.5 0 0.0 90 -0.7 0 0.0 0 0.0 8 25
89 A 89 ASP D S S S+ 0 0 -79.0 114.6 179.8 91.9 79.7 130.8 0 0.0 0 0.0 0 0.0 0 0.0 6 21
90 A 90 ILE I + 0 0 -161.1 -63.0 -179.9 61.8 66.2 80.6 88 -0.7 0 0.0 0 0.0 0 0.0 4 18
91 A 91 PRO P + 0 0 -76.4 167.8 -180.0 90.9 57.5 102.9 0 0.0 0 0.0 0 0.0 0 0.0 4 20
92 A 92 GLY G + 0 0 116.1 22.5 -180.0 165.6 38.4 52.4 0 0.0 94 -2.3 0 0.0 0 0.0 4 17
93 A 93 LEU L 0 0 -71.5 78.9 180.0 999.9 999.9 117.2 0 0.0 0 0.0 0 0.0 0 0.0 3 10
94 A 94 GLU E 0 0 -72.1 999.9 999.9 999.9 999.9 113.9 92 -2.3 0 0.0 0 0.0 0 0.0 2 6
1ehxA.pdb
1EHX UNKNOWN FUNCTION MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EES SEEEE TT EEEEEE TT BGGG GGGEEEETTEEEE HHHHHHS SSEEEEEEB S TTT EEEEEE SS Kabs/Sand
chirality -+-+---++-+--+++--------++-+--+---++--+++----++-----++++++---+-------+-+++-+-------+++-++++ chirality
bends S S SS SS SSS SSSS SS SSSSSSS SS S SS SS bends
turns TTTT TTTT TTTTTTTTT TTTT TTTTTTTT TTTTT turns
5-turns 5-turns
3-turns >33< >33< >>33<< >33< >33X33< >33< 3-turns
bridge-2 DDDD EEEEEE bridge-2
bridge-1 AA bbbb CCCCAA A DDDD CCCC EEEEEEA bbbb bridge-1
sheets AA BBBB AAAAAA AAAA AAAA BBBBBB BBBBBB sheets
4-turns >>>><<<< >444< 4-turns
summary EEe eEEEEtTTt EEEEEEtTTt BGGGgGGeEEEETeEEEEhHHHHHHh SSEEEEEEe StTTTteEEEEEEe SS summary
sequence MQDPTINPTSISAKAGSFADTKITLTPNGNTFNGISELQSSQYTKGTNEVTLLASYLNTLPENTTKTLTFDFGVGTKNPKLTITVLPKDIPGLE sequence
10 20 30 40 50 60 70 80 90