Secondary structure calculation program - copyright by David Keith Smith, 1989
1ed7A.pdb
1ED7 HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 45
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 655 ALA A 0 0 999.9 94.4 179.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 24
2 A 656 TRP W - 0 0 -51.2 146.4 -179.9 -142.5 999.9 99.2 15 -1.9 4 -0.5 0 0.0 0 0.0 7 36
3 A 657 GLN Q - 0 0 -119.9 122.7 179.7 -136.7 5.3 161.7 0 0.0 0 0.0 0 0.0 0 0.0 7 31
4 A 658 VAL V S S S+ 0 0 -73.2 145.5 -179.9 17.9 88.4 117.2 2 -0.5 0 0.0 0 0.0 0 0.0 8 26
5 A 659 ASN N S S S+ 0 0 60.6 53.3 -180.0 124.0 101.3 12.9 0 0.0 0 0.0 0 0.0 0 0.0 8 19
6 A 660 THR T E E AA - 29 0 -136.3 173.5 179.8 -109.6 64.7 148.5 29 -1.1 29 -1.6 0 0.0 8 -0.6 8 24
7 A 661 ALA A E E AA - 28 0 -110.8 113.0 -179.7 -178.0 35.7 154.0 0 0.0 0 0.0 0 0.0 0 0.0 8 26
8 A 662 TYR Y E E AA - 27 0 -108.3 153.1 179.8 -142.0 15.0 142.0 27 -2.3 27 -1.5 6 -0.6 0 0.0 10 31
9 A 663 THR T t > T - 0 0 -113.0 148.3 -180.0 -83.9 37.3 149.1 0 0.0 12 -0.5 0 0.0 0 0.0 10 26
10 A 664 ALA A T T 3 TS+ 0 0 -43.2 147.8 180.0 36.2 118.3 92.7 0 0.0 0 0.0 0 0.0 0 0.0 9 25
11 A 665 GLY G T T 3 TS+ 0 0 76.9 20.5 179.9 142.0 90.6 41.6 23 -1.5 0 0.0 0 0.0 0 0.0 8 25
12 A 666 GLN Q t < T - 0 0 -88.4 172.6 -179.9 -138.5 44.6 112.1 23 -1.0 0 0.0 9 -0.5 0 0.0 9 32
13 A 667 LEU L + 0 0 -137.6 111.5 179.9 170.1 24.6 155.4 0 0.0 0 0.0 0 0.0 0 0.0 9 36
14 A 668 VAL V E E BB - 21 0 -116.4 161.5 179.7 -155.3 15.5 142.7 21 -1.6 21 -2.2 0 0.0 0 0.0 11 39
15 A 669 THR T E E BB - 20 0 -140.5 125.5 179.8 -174.0 8.6 165.6 0 0.0 2 -1.9 0 0.0 0 0.0 10 28
16 A 670 TYR Y E E BB > T - 19 0 -97.7 -156.7 -180.0 -18.9 65.8 93.6 19 -0.7 19 -1.9 0 0.0 18 -1.0 10 29
17 A 671 ASN N T T 3 TS- 0 0 -47.8 90.9 -179.9 -42.2 131.5 100.7 0 0.0 0 0.0 0 0.0 0 0.0 4 18
18 A 672 GLY G T T 3 TS+ 0 0 52.0 30.1 -179.9 130.8 117.0 32.4 16 -1.0 0 0.0 0 0.0 0 0.0 5 17
19 A 673 LYS K E E BB < T - 16 0 -116.2 147.6 179.8 -136.9 54.0 152.3 16 -1.9 16 -0.7 0 0.0 0 0.0 8 22
20 A 674 THR T E E BB + 15 0 -103.7 134.2 -179.8 170.5 27.5 147.9 0 0.0 45 -1.5 0 0.0 0 0.0 10 26
21 A 675 TYR Y E E BB - 14 0 -142.2 147.5 -179.8 -158.6 20.1 174.6 14 -2.2 14 -1.6 0 0.0 0 0.0 12 35
22 A 676 LYS K - 0 0 -130.2 107.6 179.8 -137.9 18.6 154.5 0 0.0 43 -2.1 0 0.0 0 0.0 11 37
23 A 677 CYS C B B A + 42 0 -61.3 136.0 -179.9 176.8 22.6 110.9 0 0.0 11 -1.5 0 0.0 12 -1.0 15 39
24 A 678 LEU L + 0 0 -120.5 -3.7 -180.0 55.1 61.6 64.2 41 -2.1 0 0.0 0 0.0 0 0.0 12 30
25 A 679 GLN Q S S S- 0 0 -135.9 131.3 -180.0 -114.1 86.0 172.1 0 0.0 27 -0.6 0 0.0 0 0.0 8 27
26 A 680 PRO P + 0 0 -62.2 109.0 179.7 117.2 67.5 115.8 0 0.0 0 0.0 0 0.0 0 0.0 9 25
27 A 681 HIS H E E AA - 8 0 -155.6 -169.0 -179.8 -86.4 64.6 148.3 8 -1.5 8 -2.3 25 -0.6 29 -0.5 8 32
28 A 682 THR T E E AA - 7 0 -117.8 125.3 179.5 -131.7 33.2 160.9 0 0.0 0 0.0 0 0.0 0 0.0 8 29
29 A 683 SER S E E AA - 6 0 -71.8 136.9 -179.7 -177.8 32.6 119.6 6 -1.6 6 -1.1 27 -0.5 0 0.0 13 37
30 A 684 LEU L t > T - 0 0 -132.5 167.5 -180.0 -78.3 45.2 150.6 0 0.0 32 -3.4 0 0.0 33 -1.7 9 25
31 A 685 ALA A T T 3 TS+ 0 0 -63.4 71.6 -179.9 42.7 124.7 106.2 0 0.0 0 0.0 0 0.0 0 0.0 7 19
32 A 686 GLY G T T 3 TS+ 0 0 178.0 -31.9 179.8 76.3 89.8 79.9 30 -3.4 0 0.0 0 0.0 0 0.0 6 19
33 A 687 TRP W t < T + 0 0 -88.5 36.3 -179.5 100.2 69.3 92.8 30 -1.7 0 0.0 0 0.0 0 0.0 9 38
34 A 688 GLU E S S S+ 0 0 -86.9 -46.2 180.0 50.8 75.9 23.9 0 0.0 0 0.0 0 0.0 0 0.0 10 36
35 A 689 PRO P S S S- 0 0 -68.1 -5.8 -179.6 -120.1 112.2 55.6 0 0.0 0 0.0 0 0.0 0 0.0 5 30
36 A 690 SER S + 0 0 66.8 52.0 -179.8 168.1 49.0 13.6 0 0.0 0 0.0 0 0.0 0 0.0 8 36
37 A 691 ASN N + 0 0 -79.6 9.4 179.6 64.3 65.2 67.5 0 0.0 0 0.0 0 0.0 0 0.0 7 23
38 A 692 VAL V t > > T + 0 0 -134.2 80.1 -180.0 171.0 53.5 129.9 0 0.0 41 -1.9 0 0.0 42 -1.2 7 24
39 A 693 PRO P T T 4 3 T + 0 0 -59.5 -23.4 179.6 90.6 65.5 40.7 0 0.0 0 0.0 0 0.0 0 0.0 7 27
40 A 694 ALA A T T 4 3 TS+ 0 0 -44.6 -27.1 179.8 4.7 116.3 35.4 0 0.0 0 0.0 0 0.0 0 0.0 5 23
41 A 695 LEU L T T 4 < TS+ 0 0 -137.5 -3.3 -179.9 90.2 115.1 67.3 38 -1.9 24 -2.1 0 0.0 43 -0.8 8 31
42 A 696 TRP W B B < A T - 23 0 -102.5 104.4 179.6 -177.1 48.5 144.9 38 -1.2 44 -1.1 0 0.0 0 0.0 12 36
43 A 697 GLN Q + 0 0 -99.7 85.2 -179.4 173.4 15.6 134.1 22 -2.1 0 0.0 41 -0.8 0 0.0 9 31
44 A 698 LEU L 0 0 -87.4 167.3 180.0 999.9 999.9 114.8 42 -1.1 0 0.0 0 0.0 0 0.0 8 30
45 A 699 GLN Q 0 0 -160.5 999.9 999.9 999.9 999.9 999.9 20 -1.5 0 0.0 0 0.0 0 0.0 5 21
1ed7A.pdb
1ED7 HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SSEEE TT EEETTEEE B S EEE TT SS TTTB Kabs/Sand
chirality --++----++-+----+-+--++-+----++++-++++++-+ chirality
bends SS SS SS S SS SS SS bends
turns TTTT TTTT TTTT TTTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 AAA BBB BBB A AAA A bridge-1
sheets AAA BBB BBB AAA sheets
4-turns >444< 4-turns
summary SSEEEtTTt EEETTEEE B S EEEtTTtSS tTTTB summary
sequence AWQVNTAYTAGQLVTYNGKTYKCLQPHTSLAGWEPSNVPALWQLQ sequence
10 20 30 40