Secondary structure calculation program - copyright by David Keith Smith, 1989
1kmaA.pdb
1KMA BLOOD CLOTTING MOL_ID: 1; MOL_ID: 1;
Sequence length - 55
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 PHE F 0 0 999.9 80.8 176.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 17
2 A 2 GLN Q + 0 0 -176.1 133.7 171.8 2.2 999.9 138.0 0 0.0 4 -1.5 0 0.0 0 0.0 6 18
3 A 3 GLY G S S S+ 0 0 74.1 -31.1 166.2 74.3 115.3 90.5 0 0.0 0 0.0 0 0.0 0 0.0 6 18
4 A 4 ASN N S S S+ 0 0 -67.1 -56.3 179.9 30.4 107.7 17.6 2 -1.5 0 0.0 0 0.0 0 0.0 7 18
5 A 5 PRO P S S S+ 0 0 -70.2 -48.4 -177.4 53.6 121.5 21.1 0 0.0 7 -0.5 0 0.0 0 0.0 11 23
6 A 6 CYS C + 0 0 -97.0 125.4 172.9 111.8 57.6 146.9 0 0.0 0 0.0 0 0.0 0 0.0 10 25
7 A 7 GLU E + 0 0 -154.5 -24.3 -179.3 120.7 45.0 74.1 5 -0.5 0 0.0 0 0.0 0 0.0 6 22
8 A 8 CYS C - 0 0 -49.6 158.4 -173.4 -92.2 66.9 87.3 0 0.0 0 0.0 0 0.0 0 0.0 7 25
9 A 9 PRO P - 0 0 -75.1 169.4 176.2 -98.0 36.6 97.1 0 0.0 11 -1.4 0 0.0 0 0.0 4 20
10 A 10 ARG R + 0 0 -80.3 43.6 171.2 161.3 63.1 101.6 0 0.0 0 0.0 0 0.0 0 0.0 6 17
11 A 11 ALA A - 0 0 -65.5 123.2 178.0 -137.7 42.9 127.5 9 -1.4 13 -1.3 0 0.0 0 0.0 7 20
12 A 12 LEU L + 0 0 -77.0 42.8 -177.7 143.1 53.7 102.0 0 0.0 14 -1.9 0 0.0 0 0.0 6 22
13 A 13 HIS H - 0 0 -84.9 63.3 -170.0 -157.8 41.3 117.5 11 -1.3 0 0.0 0 0.0 0 0.0 8 29
14 A 14 ARG R + 0 0 -55.8 134.9 -178.0 164.0 21.0 100.3 12 -1.9 0 0.0 0 0.0 0 0.0 12 33
15 A 15 VAL V E E AA - 23 0 -139.3 -178.3 -178.6 -109.8 30.6 141.3 23 -2.7 23 -2.9 0 0.0 0 0.0 14 36
16 A 16 CYS C E E AAA - 22 44 -125.2 137.3 165.9 -153.1 15.5 161.3 44 -0.7 44 -0.7 46 -0.7 0 0.0 18 36
17 A 17 GLY G e > T - 0 0 -95.9 168.8 -171.7 -87.0 46.2 128.5 21 -2.5 20 -2.4 0 0.0 0 0.0 14 35
18 A 18 SER S T T 3 TS+ 0 0 -50.7 -31.3 176.6 62.1 125.2 44.5 41 -0.8 0 0.0 0 0.0 0 0.0 9 29
19 A 19 ASP D T T 3 TS- 0 0 -69.0 0.0 -163.8 -105.9 121.2 68.5 0 0.0 0 0.0 0 0.0 0 0.0 5 26
20 A 20 GLY G S t < TS+ 0 0 76.8 -0.3 -171.5 150.1 76.9 64.2 17 -2.4 22 -0.5 0 0.0 0 0.0 8 29
21 A 21 ASN N e - 0 0 -75.1 110.8 179.2 -134.5 44.2 123.5 0 0.0 17 -2.5 0 0.0 0 0.0 9 36
22 A 22 THR T E E AA - 16 0 -65.8 144.0 174.5 -158.2 17.8 115.8 20 -0.5 0 0.0 0 0.0 0 0.0 12 37
23 A 23 TYR Y E E AA - 15 0 -119.4 145.4 176.5 -123.9 26.5 158.3 15 -2.9 15 -2.7 0 0.0 0 0.0 12 42
24 A 24 SER S S S S- 0 0 -58.3 -29.2 173.6 -9.1 95.9 43.1 0 0.0 0 0.0 0 0.0 0 0.0 11 35
25 A 25 ASN N h > T - 0 0 -163.9 156.0 -178.6 -114.6 66.8 158.8 0 0.0 29 -1.1 0 0.0 0 0.0 12 40
26 A 26 PRO P H H > TS+ 0 0 -70.3 -16.4 175.0 66.8 113.4 45.8 0 0.0 30 -2.3 0 0.0 0 0.0 13 40
27 A 27 CYS C H H > TS+ 0 0 -69.3 -41.4 172.4 47.7 100.0 24.8 0 0.0 31 -2.3 0 0.0 0 0.0 8 38
28 A 28 MET M H H > TS+ 0 0 -66.1 -31.7 173.2 55.9 110.1 32.5 0 0.0 32 -3.1 0 0.0 0 0.0 11 43
29 A 29 LEU L H H X TS+ 0 0 -59.6 -68.3 -179.7 39.0 111.7 2.9 25 -1.1 33 -3.3 0 0.0 0 0.0 13 47
30 A 30 THR T H H X TS+ 0 0 -52.0 -39.3 174.6 53.0 117.6 28.4 26 -2.3 34 -2.8 0 0.0 0 0.0 11 39
31 A 31 CYS C H H X TS+ 0 0 -53.1 -68.5 175.4 43.0 112.1 9.8 27 -2.3 35 -1.8 0 0.0 0 0.0 11 32
32 A 32 ALA A H H X >TS+ 0 0 -39.2 -52.8 -178.3 54.5 113.6 33.9 28 -3.1 36 -2.9 0 0.0 37 -1.2 12 34
33 A 33 LYS K H H X 5TS+ 0 0 -51.0 -63.4 176.8 36.0 115.1 15.6 29 -3.3 37 -1.5 0 0.0 0 0.0 12 33
34 A 34 HIS H H H < 5TS+ 0 0 -65.6 -16.9 178.7 56.1 119.2 54.1 30 -2.8 0 0.0 0 0.0 0 0.0 10 25
35 A 35 GLU E H H < 5TS- 0 0 -77.9 -66.2 -173.0 -43.0 139.7 15.2 31 -1.8 0 0.0 0 0.0 0 0.0 9 23
36 A 36 GLY G H H < 5TS+ 0 0 -158.5 23.7 -177.5 89.7 114.1 84.8 32 -2.9 0 0.0 0 0.0 0 0.0 7 19
37 A 37 ASN N h < >5555< 5-turns
3-turns >33< >33< 3-turns
bridge-2 A bridge-2
bridge-1 AA AA A bridge-1
sheets AA AA sheets
4-turns >>>>XXXXX<<<< 4-turns
summary SSS EEeTTteEEShHHHHHHHHHHHhTTt BSS SSSSSS summary
sequence FQGNPCECPRALHRVCGSDGNTYSNPCMLTCAKHEGNPDLVQVHEGPCDEHDHDF sequence
10 20 30 40 50