Secondary structure calculation program - copyright by David Keith Smith, 1989
1jy4A.pdb
1JY4 DE NOVO PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 32
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 ARG R 0 0 999.9 -55.0 -179.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 12
2 A 2 GLY G - 0 0 -56.4 -110.8 -180.0 -28.7 999.9 30.4 0 0.0 4 -0.6 0 0.0 0 0.0 3 12
3 A 3 GLU E S S S+ 0 0 -118.1 87.7 180.0 140.4 87.4 143.5 0 0.0 0 0.0 0 0.0 0 0.0 7 15
4 A 4 CYS C e - 0 0 -118.3 176.9 -180.0 -112.5 46.7 129.4 2 -0.6 14 -1.2 0 0.0 0 0.0 7 17
5 A 5 LYS K E E AA - 13 0 -116.3 141.6 180.0 -153.0 18.2 156.0 0 0.0 7 -0.5 0 0.0 0 0.0 8 21
6 A 6 PHE F E E AA - 12 0 -118.9 116.6 -180.0 -173.4 8.5 163.0 12 -2.4 12 -2.2 0 0.0 8 -0.7 7 20
7 A 7 THR T E E AA 11 0 -112.5 102.7 180.0 999.9 999.9 153.5 5 -0.5 0 0.0 0 0.0 0 0.0 7 18
8!A 8 VAL V e 0 0 -114.8 999.9 999.9 999.9 999.9 155.4 10 -1.8 10 -1.7 6 -0.7 0 0.0 5 16
9!A 10 GLY G e 0 0 999.9 12.7 -180.0 999.9 999.9 999.9 0 0.0 11 -0.7 0 0.0 23 -0.6 6 17
10 A 11 ARG R E E A B - 0 22 -107.8 110.5 -179.9 -164.6 999.9 154.9 8 -1.7 8 -1.8 0 0.0 12 -0.8 9 22
11 A 12 THR T E E AAB + 7 21 -98.4 109.4 -180.0 175.0 14.1 147.7 21 -1.3 21 -2.0 9 -0.7 0 0.0 11 26
12 A 13 ALA A E E AAB - 6 20 -117.0 138.6 180.0 -166.2 9.4 158.8 6 -2.2 6 -2.4 10 -0.8 0 0.0 11 28
13 A 14 LEU L E E AAB - 5 19 -124.1 148.7 180.0 -125.5 20.9 157.6 19 -2.1 19 -2.2 0 0.0 15 -0.7 11 26
14 A 15 ASN N E E A B 0 18 -97.0 113.8 179.9 999.9 999.9 147.7 4 -1.2 0 0.0 0 0.0 0 0.0 10 22
15!A 16 THR T e 0 0 -108.9 999.9 999.9 999.9 999.9 143.3 17 -2.6 17 -1.7 13 -0.7 0 0.0 7 19
16!A 18 ALA A 0 0 999.9 13.9 180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 15
17 A 19 VAL V e - 0 0 -117.7 132.6 180.0 -141.7 999.9 162.4 15 -1.7 15 -2.6 0 0.0 19 -0.7 7 19
18 A 20 GLN Q E E ABC - 14 32 -96.6 117.1 -180.0 -166.2 16.4 146.9 32 -2.3 32 -1.5 0 0.0 20 -0.5 10 23
19 A 21 LYS K E E ABC - 13 31 -106.7 125.1 -180.0 -165.0 0.4 155.0 13 -2.2 13 -2.1 17 -0.7 21 -0.5 11 25
20 A 22 TRP W E E ABC - 12 30 -112.5 125.5 -180.0 -170.8 5.9 160.7 30 -1.3 30 -2.5 18 -0.5 0 0.0 12 27
21 A 23 HIS H E E ABC - 11 29 -118.4 140.2 180.0 -162.4 5.6 158.9 11 -2.0 11 -1.3 19 -0.5 0 0.0 11 26
22 A 24 PHE F E E ABC + 10 28 -126.7 120.1 180.0 176.7 9.5 167.8 28 -2.6 28 -1.4 0 0.0 0 0.0 11 23
23 A 25 VAL V E E A C 0 27 -126.2 113.8 180.0 999.9 999.9 164.7 9 -0.6 0 0.0 0 0.0 0 0.0 9 18
24!A 26 LEU L e 0 0 -139.9 999.9 999.9 999.9 999.9 123.5 26 -1.9 26 -1.6 0 0.0 0 0.0 5 14
25!A 28 GLY G 0 0 999.9 -8.4 -179.9 999.9 999.9 999.9 0 0.0 27 -1.0 0 0.0 0 0.0 4 8
26 A 29 TYR Y e + 0 0 -98.8 94.5 -179.9 165.5 999.9 142.5 24 -1.6 24 -1.9 0 0.0 28 -0.7 6 13
27 A 30 LYS K E E AC - 23 0 -114.0 103.0 180.0 -179.9 8.7 154.9 25 -1.0 0 0.0 0 0.0 0 0.0 8 16
28 A 31 CYS C E E AC - 22 0 -105.8 130.1 -180.0 -170.2 4.4 153.1 22 -1.4 22 -2.6 26 -0.7 0 0.0 7 17
29 A 32 GLU E E E AC - 21 0 -124.2 131.6 -179.9 -173.3 2.6 168.3 0 0.0 0 0.0 0 0.0 0 0.0 7 20
30 A 33 ILE I E E AC - 20 0 -125.3 141.6 -179.9 -151.8 13.2 164.1 20 -2.5 20 -1.3 0 0.0 32 -0.6 7 19
31 A 34 LEU L E E AC 19 0 -116.6 104.1 180.0 999.9 999.9 156.3 0 0.0 0 0.0 0 0.0 0 0.0 7 18
32 A 35 ALA A E E AC 18 0 -121.5 999.9 999.9 999.9 999.9 130.5 18 -1.5 18 -2.3 30 -0.6 0 0.0 6 16
1jy4A.pdb
1JY4 DE NOVO PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand S EEE EEEEE EEEEEE EEEEEE Kabs/Sand
chirality -+--- -+-- -----+ +---- chirality
bends S bends
turns turns
5-turns 5-turns
3-turns 3-turns
bridge-2 BBBBB CCCCCC bridge-2
bridge-1 AAA AAA BBBBB CCCCCC bridge-1
sheets AAA AAAAA AAAAAA AAAAAA sheets
4-turns 4-turns
summary SeEEEeeEEEEEe eEEEEEEe eEEEEEE summary
sequence RGECKFTVGRTALNTAVQKWHFVLGYKCEILA sequence
10 20 30
Messages
chain break between 8(A 8 ) and 9(A 10 )
chain break between 15(A 16 ) and 16(A 18 )
chain break between 24(A 26 ) and 25(A 28 )