Secondary structure calculation program - copyright by David Keith Smith, 1989
1jmqA.pdb
1JMQ STRUCTURAL PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 46
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 5 PHE F 0 0 999.9 91.6 180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 16
2 A 6 GLU E + 0 0 -100.1 25.6 -180.0 103.4 999.9 85.4 0 0.0 0 0.0 0 0.0 0 0.0 4 20
3 A 7 ILE I + 0 0 -108.5 77.9 -179.7 171.6 49.8 131.1 0 0.0 0 0.0 0 0.0 0 0.0 7 27
4 A 8 PRO P - 0 0 -71.1 -171.5 -179.8 -97.8 49.1 85.8 0 0.0 0 0.0 0 0.0 0 0.0 6 18
5 A 9 ASP D S S S+ 0 0 -97.0 18.4 179.8 118.7 85.1 78.6 0 0.0 0 0.0 0 0.0 0 0.0 5 18
6 A 10 ASP D S S S+ 0 0 -53.8 -26.2 179.7 15.5 88.2 34.7 0 0.0 0 0.0 0 0.0 0 0.0 4 14
7 A 11 VAL V - 0 0 -150.0 143.3 -179.7 -144.1 67.8 174.9 0 0.0 0 0.0 0 0.0 0 0.0 6 19
8 A 12 PRO P - 0 0 -71.0 -91.2 -180.0 -46.1 65.6 19.5 0 0.0 0 0.0 0 0.0 0 0.0 5 24
9 A 13 LEU L - 0 0 -149.2 145.4 179.9 -121.4 49.7 176.6 0 0.0 0 0.0 0 0.0 0 0.0 8 30
10 A 14 PRO P t > T - 0 0 -77.6 176.0 -179.0 -59.6 57.4 99.2 0 0.0 13 -1.1 0 0.0 0 0.0 8 30
11 A 15 ALA A T T 3 TS+ 0 0 -57.7 138.6 179.7 2.9 124.4 106.2 0 0.0 0 0.0 0 0.0 0 0.0 6 22
12 A 16 GLY G T T 3 TS+ 0 0 51.4 44.0 179.9 113.8 105.9 23.6 0 0.0 29 -0.8 0 0.0 28 -0.7 9 22
13 A 17 TRP W B B A < T + 27 0 -145.2 74.4 179.2 152.6 33.6 120.0 10 -1.1 0 0.0 0 0.0 0 0.0 12 31
14 A 18 GLU E - 0 0 -85.8 -163.9 179.1 -146.6 26.5 91.9 26 -1.2 0 0.0 0 0.0 0 0.0 10 32
15 A 19 MET M + 0 0 -167.3 144.5 -178.8 176.1 15.9 161.7 0 0.0 0 0.0 0 0.0 0 0.0 10 37
16 A 20 ALA A B B B - 24 0 -146.9 167.4 -180.0 -105.4 30.4 161.3 24 -2.4 24 -2.5 0 0.0 0 0.0 9 26
17 A 21 LYS K - 0 0 -97.9 151.4 -179.9 -144.8 28.7 134.3 0 0.0 0 0.0 0 0.0 0 0.0 9 19
18 A 22 THR T - 0 0 -93.9 -154.4 -179.7 -44.4 60.6 88.7 0 0.0 0 0.0 0 0.0 0 0.0 8 15
19 A 23 SER S S S S+ 0 0 -46.9 -26.3 -179.9 5.7 141.0 37.8 0 0.0 0 0.0 0 0.0 0 0.0 5 10
20 A 24 SER S S S S- 0 0 -122.3 -81.6 179.9 -58.6 125.1 55.7 0 0.0 0 0.0 0 0.0 0 0.0 5 10
21 A 25 GLY G + 0 0 -161.1 26.6 179.5 151.5 66.0 82.3 0 0.0 23 -2.7 0 0.0 0 0.0 6 16
22 A 26 GLN Q - 0 0 -66.3 78.3 -178.9 -145.9 42.2 111.3 0 0.0 24 -0.7 0 0.0 0 0.0 9 19
23 A 27 ARG R + 0 0 -49.7 97.3 178.4 179.4 25.6 103.2 21 -2.7 0 0.0 0 0.0 0 0.0 9 31
24 A 28 TYR Y B B B - 16 0 -107.4 129.9 -178.3 -128.6 26.9 152.3 16 -2.5 16 -2.4 22 -0.7 26 -0.7 13 34
25 A 29 PHE F E E AA - 34 0 -80.6 116.2 179.8 -142.0 21.9 130.1 34 -2.1 34 -2.2 36 -0.7 0 0.0 14 37
26 A 30 LYS K E E AA - 33 0 -75.2 143.6 -179.7 -145.6 8.8 118.8 24 -0.7 14 -1.2 0 0.0 28 -0.6 13 31
27 A 31 ASN N E E AAA >T + 32 13 -115.3 115.6 179.3 167.9 26.3 157.5 32 -1.8 32 -1.7 0 0.0 0 0.0 13 28
28 A 32 HIS H T T 5TS+ 0 0 -94.6 -29.6 177.9 61.9 79.4 37.5 12 -0.7 0 0.0 26 -0.6 0 0.0 10 20
29 A 33 ILE I T T 5TS+ 0 0 -63.2 -27.3 179.3 13.4 130.2 32.9 12 -0.8 0 0.0 0 0.0 0 0.0 7 18
30 A 34 ASP D T T 5TS- 0 0 -125.8 -2.9 179.8 -122.9 105.8 66.7 0 0.0 0 0.0 0 0.0 0 0.0 6 17
31 A 35 GLN Q T T 5T + 0 0 57.8 82.8 179.6 111.8 66.5 12.5 0 0.0 0 0.0 0 0.0 0 0.0 7 19
32 A 36 THR T E E AA > T - 0 0 -112.5 138.6 -179.8 -146.2 9.1 154.8 0 0.0 40 -0.9 0 0.0 41 -0.7 11 38
38 A 42 PRO P T T 4 3 TS+ 0 0 -80.8 6.7 -179.8 41.2 101.8 68.8 0 0.0 0 0.0 0 0.0 0 0.0 10 37
39 A 43 ARG R T T 4 3 TS+ 0 0 -138.1 20.0 -179.8 11.0 133.0 81.1 0 0.0 0 0.0 0 0.0 0 0.0 8 33
40 A 44 LYS K T T 4 < TS+ 0 0 -163.8 -39.4 -179.8 47.8 124.1 72.0 37 -0.9 0 0.0 0 0.0 0 0.0 7 29
41 A 45 ALA A S t < TS+ 0 0 -111.9 52.8 180.0 114.4 84.4 109.6 37 -0.7 0 0.0 0 0.0 0 0.0 10 30
42 A 46 MET M S S S- 0 0 -103.5 -160.0 180.0 -45.6 88.3 100.6 0 0.0 44 -3.3 0 0.0 0 0.0 8 24
43 A 47 LEU L S S S+ 0 0 -68.7 69.6 179.9 91.3 109.8 108.2 0 0.0 0 0.0 0 0.0 0 0.0 4 12
44 A 48 SER S + 0 0 -166.1 112.7 -180.0 155.9 33.0 137.8 42 -3.3 0 0.0 0 0.0 0 0.0 5 12
45 A 49 GLN Q 0 0 -138.1 61.2 180.0 999.9 999.9 113.1 0 0.0 0 0.0 0 0.0 0 0.0 4 12
46 A 50 MET M 0 0 -105.4 999.9 999.9 999.9 999.9 97.6 0 0.0 0 0.0 0 0.0 0 0.0 2 7
1jmqA.pdb
1JMQ STRUCTURAL PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SS TTB B SS BEEETTTTEEESS TTTSSS Kabs/Sand
chirality ++-++----+++-+---+-+-+---+++-+---+--++++-++ chirality
bends SS SS SS SSS SS SSSSSS bends
turns TTTT TTTTTT TTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< 3-turns
bridge-2 A bridge-2
bridge-1 A B BAAA AAA bridge-1
sheets AAA AAA sheets
4-turns >444< 4-turns
summary SS tTTB B SS BEEETTTTEEESStTTTtSS summary
sequence FEIPDDVPLPAGWEMAKTSSGQRYFKNHIDQTTTWQDPRKAMLSQM sequence
10 20 30 40