Secondary structure calculation program - copyright by David Keith Smith, 1989
1jkzA.pdb
1JKZ ANTIFUNGAL 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 1 LYS K e 0 0 999.9 175.5 179.2 999.9 999.9 999.9 0 0.0 46 -0.8 0 0.0 0 0.0 4 8
2 A 2 THR T E E AA - 45 0 -132.4 144.2 -179.7 -148.0 999.9 168.3 0 0.0 0 0.0 0 0.0 0 0.0 7 15
3 A 3 CYS C E E AA - 44 0 -115.7 134.8 -179.8 -155.5 9.0 158.3 44 -1.8 44 -1.4 0 0.0 0 0.0 8 19
4 A 4 GLU E E E AA - 43 0 -108.2 148.1 -179.6 -162.1 6.5 143.9 0 0.0 0 0.0 0 0.0 0 0.0 8 29
5 A 5 HIS H E E AA - 42 0 -133.3 141.1 179.1 -131.0 16.1 171.2 42 -1.2 42 -3.2 0 0.0 0 0.0 8 33
6 A 6 LEU L E E AA - 41 0 -91.4 125.9 -179.0 -130.8 26.0 140.5 0 0.0 0 0.0 0 0.0 0 0.0 8 38
7 A 7 ALA A e - 0 0 -81.1 128.5 179.9 -155.2 6.8 129.4 40 -1.4 0 0.0 0 0.0 0 0.0 11 36
8 A 8 ASP D S S S+ 0 0 -76.3 -10.6 -180.0 70.6 87.0 54.6 0 0.0 10 -0.6 0 0.0 0 0.0 4 27
9 A 9 THR T S S S+ 0 0 -107.4 63.3 179.8 122.5 73.4 120.2 0 0.0 0 0.0 0 0.0 0 0.0 5 27
10 A 10 TYR Y S S S- 0 0 -107.2 -169.1 -178.3 -100.2 75.5 106.9 8 -0.6 0 0.0 0 0.0 0 0.0 9 33
11 A 11 ARG R - 0 0 -107.0 27.4 -179.8 -116.3 52.4 89.0 0 0.0 13 -1.6 0 0.0 0 0.0 5 29
12 A 12 GLY G S S S+ 0 0 79.6 -87.5 -179.3 43.4 89.1 125.7 0 0.0 0 0.0 0 0.0 0 0.0 6 23
13 A 13 VAL V S S S- 0 0 -92.5 160.6 178.7 -136.5 74.0 121.9 11 -1.6 0 0.0 0 0.0 0 0.0 6 24
14 A 14 CYS C + 0 0 -118.5 143.5 179.8 167.2 24.9 156.5 0 0.0 0 0.0 0 0.0 0 0.0 12 28
15 A 15 PHE F + 0 0 -118.6 -46.1 -179.9 15.4 68.8 45.9 0 0.0 0 0.0 0 0.0 0 0.0 5 21
16 A 16 THR T S h > > TS- 0 0 -136.2 151.2 -179.7 -111.8 73.8 166.1 0 0.0 19 -2.6 0 0.0 20 -0.5 7 24
17 A 17 ASN N H H > 3 TS+ 0 0 -49.6 -26.3 -179.6 67.4 114.1 42.6 0 0.0 21 -1.5 0 0.0 0 0.0 10 28
18 A 18 ALA A H H > 3 TS+ 0 0 -68.1 -26.5 -179.1 70.0 85.3 40.3 0 0.0 22 -2.2 0 0.0 0 0.0 7 27
19 A 19 SER S H H > < TS+ 0 0 -58.9 -44.5 179.4 36.7 106.5 23.9 16 -2.6 23 -1.6 0 0.0 0 0.0 11 33
20 A 20 CYS C H H X TS+ 0 0 -74.6 -42.6 -179.9 56.7 114.2 26.0 16 -0.5 24 -4.7 0 0.0 0 0.0 17 40
21 A 21 ASP D H H X TS+ 0 0 -51.7 -64.2 178.1 36.8 114.3 13.3 17 -1.5 25 -3.2 0 0.0 0 0.0 12 37
22 A 22 ASP D H H X TS+ 0 0 -51.4 -54.1 178.1 51.3 120.0 17.6 18 -2.2 26 -3.3 0 0.0 0 0.0 8 31
23 A 23 HIS H H H X TS+ 0 0 -47.8 -60.9 178.4 42.8 113.3 20.2 19 -1.6 27 -4.3 0 0.0 0 0.0 11 37
24 A 24 CYS C H H X TS+ 0 0 -52.6 -58.8 179.9 49.0 115.2 16.4 20 -4.7 28 -2.8 0 0.0 0 0.0 16 36
25 A 25 LYS K H H < TS+ 0 0 -48.9 -44.3 -179.4 36.5 121.4 29.6 21 -3.2 0 0.0 0 0.0 0 0.0 12 29
26 A 26 ASN N H H < TS+ 0 0 -79.4 -39.7 -179.8 35.9 127.2 30.2 22 -3.3 0 0.0 0 0.0 0 0.0 7 26
27 A 27 LYS K H H < TS+ 0 0 -78.8 -55.0 179.5 14.0 137.3 16.8 23 -4.3 0 0.0 0 0.0 0 0.0 8 30
28 A 28 ALA A S h < TS- 0 0 -127.8 85.2 -178.5 -132.7 84.8 142.2 24 -2.8 30 -1.6 0 0.0 0 0.0 9 29
29 A 29 HIS H + 0 0 -38.6 72.0 178.8 133.7 59.3 93.2 0 0.0 0 0.0 0 0.0 0 0.0 7 25
30 A 30 LEU L - 0 0 -115.8 -173.3 -178.3 -93.7 69.2 117.3 28 -1.6 0 0.0 0 0.0 0 0.0 9 27
31 A 31 ILE I S S S- 0 0 -73.0 -51.2 -178.9 -22.7 89.9 19.5 43 -0.9 0 0.0 0 0.0 0 0.0 8 28
32 A 32 SER S e - 0 0 -157.9 166.1 179.1 -162.0 48.4 170.3 0 0.0 43 -2.5 0 0.0 0 0.0 10 33
33 A 33 GLY G E E AB - 42 0 -157.2 134.0 -179.5 -168.9 8.4 162.3 0 0.0 0 0.0 0 0.0 0 0.0 14 41
34 A 34 THR T E E AB - 41 0 -119.3 173.7 -179.7 -92.9 31.3 132.7 41 -1.2 41 -2.4 0 0.0 0 0.0 12 40
35 A 35 CYS C E E AB - 40 0 -92.3 128.1 178.8 -179.4 36.5 139.9 0 0.0 0 0.0 0 0.0 0 0.0 13 33
36 A 36 HIS H E E AB > TS- 39 0 -128.4 121.1 -179.6 -17.6 73.3 171.0 39 -3.6 39 -2.7 0 0.0 0 0.0 7 30
37 A 37 ASN N T T 3 TS- 0 0 52.3 37.9 -178.9 -53.3 129.4 29.2 0 0.0 0 0.0 0 0.0 0 0.0 4 23
38 A 38 TRP W T T 3 TS+ 0 0 74.4 5.9 179.8 107.7 124.2 59.4 0 0.0 0 0.0 0 0.0 0 0.0 8 26
39 A 39 LYS K E E A B< T - 0 36 -109.7 166.9 -179.8 -116.3 69.8 131.1 36 -2.7 36 -3.6 0 0.0 0 0.0 11 33
40 A 40 CYS C E E A B - 0 35 -111.8 129.3 177.9 -176.5 25.6 156.2 0 0.0 7 -1.4 0 0.0 0 0.0 14 41
41 A 41 PHE F E E AAB - 6 34 -120.4 138.8 -179.5 -150.2 11.9 161.4 34 -2.4 34 -1.2 0 0.0 0 0.0 14 42
42 A 42 CYS C E E AAB - 5 33 -106.2 163.6 -178.5 -117.1 17.0 131.0 5 -3.2 5 -1.2 0 0.0 44 -0.6 17 39
43 A 43 THR T E E AA + 4 0 -106.5 119.8 -179.7 169.6 35.9 153.7 32 -2.5 31 -0.9 0 0.0 0 0.0 12 32
44 A 44 GLN Q E E AA - 3 0 -134.0 129.1 -179.7 -128.8 29.9 172.8 3 -1.4 3 -1.8 42 -0.6 0 0.0 10 25
45 A 45 ASN N E E AA 2 0 -75.7 133.4 179.9 999.9 999.9 123.7 0 0.0 0 0.0 0 0.0 0 0.0 6 16
46 A 46 CYS C e 0 0 -152.0 999.9 999.9 999.9 999.9 172.5 1 -0.8 0 0.0 0 0.0 0 0.0 5 11
1jkzA.pdb
1JKZ ANTIFUNGAL PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEE SSS SS SHHHHHHHHHHHS S EEEETTEEEEEEE Kabs/Sand
chirality ------++--+-++-+++++++++++-+--------+----+- chirality
bends SSS SS SSSSSSSSSSSSS S SSS bends
turns TTTTTTTTTTTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< 3-turns
bridge-2 BBBB bridge-2
bridge-1 AAAAA BBBB AAAAA bridge-1
sheets AAAAA AAAA AAAAAAA sheets
4-turns >>>>XXXXX<<<< 4-turns
summary eEEEEEeSSS SS hHHHHHHHHHHHh SeEEEETTEEEEEEEe summary
sequence KTCEHLADTYRGVCFTNASCDDHCKNKAHLISGTCHNWKCFCTQNC sequence
10 20 30 40