==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-DEC-12 4IJK . COMPND 2 MOLECULE: 3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE (FABG); . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR J.HOU,T.OSINSKI,H.ZHENG,I.SHUMILIN,I.G.SHABALIN,S.SHATSMAN, . 927 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31861.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 693 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 60 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 357 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 2 0 0 0 0 0 0 8 4 0 4 0 0 0 0 0 4 0 0 0 0 0 4 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 12 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 0 A A 0 0 82 0, 0.0 706,-0.1 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 120.0 -15.8 29.2 5.4 2 1 A M - 0 0 6 1,-0.1 2,-0.4 704,-0.1 213,-0.0 -0.230 360.0 -96.1 -53.8 156.2 -18.7 27.1 4.1 3 2 A Q - 0 0 45 -2,-0.0 216,-3.0 2,-0.0 2,-0.5 -0.678 38.7-175.9 -92.2 124.9 -19.5 23.9 6.0 4 3 A F - 0 0 34 -2,-0.4 214,-0.1 214,-0.2 213,-0.0 -0.972 19.5-174.1-122.8 117.2 -18.1 20.5 5.0 5 4 A T S S+ 0 0 97 -2,-0.5 -1,-0.1 81,-0.0 213,-0.1 0.865 75.9 74.3 -68.5 -37.0 -19.1 17.2 6.7 6 5 A G S S- 0 0 11 1,-0.1 213,-0.1 80,-0.1 -2,-0.1 -0.259 71.0-150.0 -74.7 167.5 -16.4 15.5 4.4 7 6 A K + 0 0 69 1,-0.2 25,-2.5 24,-0.1 2,-0.3 0.682 64.8 27.1-114.9 -24.7 -12.7 15.9 4.9 8 7 A N E -a 32 0A 8 23,-0.2 79,-1.4 2,-0.0 78,-0.5 -0.947 53.6-157.2-149.1 162.9 -10.9 15.6 1.5 9 8 A V E -ab 33 87A 0 23,-2.5 25,-2.9 -2,-0.3 2,-0.5 -0.999 10.4-145.9-149.9 136.7 -11.3 16.2 -2.2 10 9 A L E -ab 34 88A 0 77,-2.1 79,-3.1 -2,-0.4 2,-0.5 -0.923 16.6-170.4-105.5 129.3 -9.8 15.0 -5.4 11 10 A I E > -ab 35 89A 0 23,-2.3 25,-1.9 -2,-0.5 3,-0.6 -0.977 12.3-145.7-119.9 119.3 -9.6 17.4 -8.2 12 11 A T T 3 S+ 0 0 1 77,-2.4 79,-0.1 -2,-0.5 25,-0.1 -0.531 84.1 13.7 -82.5 150.3 -8.7 16.3 -11.7 13 12 A G T 3 S+ 0 0 29 -2,-0.2 6,-0.4 78,-0.1 3,-0.3 0.936 82.4 149.6 51.2 48.5 -6.6 18.6 -13.9 14 13 A A < + 0 0 0 22,-1.9 9,-0.1 -3,-0.6 23,-0.1 0.330 35.9 95.9 -92.1 4.1 -5.8 20.7 -10.8 15 14 A S S S- 0 0 31 21,-0.5 2,-0.2 1,-0.1 -1,-0.2 0.880 94.0 -8.1 -67.7 -36.5 -2.4 22.0 -11.9 16 15 A K S >> S+ 0 0 66 -3,-0.3 4,-1.1 4,-0.0 3,-0.9 -0.843 104.1 18.1-151.6 178.0 -3.6 25.3 -13.4 17 16 A G H 3> S- 0 0 38 -2,-0.2 4,-1.8 1,-0.2 5,-0.1 -0.228 122.9 -8.0 55.3-128.0 -6.4 27.6 -14.4 18 17 A I H 3> S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 135.9 55.9 -68.1 -42.3 -9.8 26.7 -12.9 19 18 A G H <> S+ 0 0 0 -3,-0.9 4,-2.0 -6,-0.4 -1,-0.2 0.897 106.7 51.5 -59.5 -39.8 -8.6 23.4 -11.4 20 19 A A H X S+ 0 0 6 -4,-1.1 4,-2.4 1,-0.2 -2,-0.2 0.950 110.0 48.2 -64.0 -47.5 -5.9 25.2 -9.5 21 20 A E H X S+ 0 0 38 -4,-1.8 4,-3.2 2,-0.2 5,-0.3 0.861 107.3 55.5 -59.7 -38.9 -8.4 27.7 -8.0 22 21 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.952 109.0 48.9 -58.1 -45.0 -10.7 25.0 -7.0 23 22 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.931 114.0 45.6 -57.9 -47.4 -7.8 23.5 -5.1 24 23 A K H X S+ 0 0 56 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.938 114.8 46.8 -58.5 -53.3 -7.0 26.9 -3.4 25 24 A T H X S+ 0 0 2 -4,-3.2 4,-1.0 2,-0.2 3,-0.3 0.967 115.7 43.4 -57.2 -53.4 -10.5 27.6 -2.6 26 25 A L H <>S+ 0 0 0 -4,-2.8 5,-1.9 -5,-0.3 3,-0.4 0.853 112.8 53.6 -64.2 -35.8 -11.3 24.2 -1.1 27 26 A A H ><5S+ 0 0 1 -4,-2.3 3,-1.5 -5,-0.3 30,-0.3 0.862 104.5 55.5 -61.9 -37.8 -8.0 24.1 0.7 28 27 A S H 3<5S+ 0 0 57 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.728 103.4 56.2 -72.8 -18.2 -8.8 27.5 2.3 29 28 A M T 3<5S- 0 0 23 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.153 127.4 -94.3 -98.6 14.5 -12.1 26.1 3.7 30 29 A G T < 5S+ 0 0 63 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.462 79.9 132.2 95.2 4.3 -10.3 23.2 5.5 31 30 A L < - 0 0 3 -5,-1.9 2,-0.7 -23,-0.0 26,-0.4 -0.671 60.3-120.5 -87.5 143.6 -10.5 20.3 3.1 32 31 A K E -a 8 0A 52 -25,-2.5 -23,-2.5 -2,-0.3 2,-0.4 -0.744 36.1-149.0 -77.4 118.8 -7.4 18.3 2.3 33 32 A V E -ac 9 58A 0 24,-2.0 26,-2.5 -2,-0.7 2,-0.6 -0.748 11.2-153.9 -97.8 135.7 -7.0 18.7 -1.5 34 33 A W E -ac 10 59A 14 -25,-2.9 -23,-2.3 -2,-0.4 2,-0.9 -0.954 13.9-153.2-106.2 118.3 -5.6 16.1 -3.8 35 34 A I E -ac 11 60A 0 24,-3.1 26,-2.0 -2,-0.6 2,-0.3 -0.778 7.2-155.9-101.4 93.1 -4.1 17.8 -6.9 36 35 A N E + c 0 61A 5 -25,-1.9 -22,-1.9 -2,-0.9 -21,-0.5 -0.528 16.8 174.8 -69.1 131.7 -4.1 15.6 -9.9 37 36 A Y E - c 0 62A 36 24,-1.7 26,-1.9 -2,-0.3 4,-0.1 -0.959 22.3-160.6-132.2 155.8 -1.5 16.3 -12.6 38 37 A R S S- 0 0 59 -2,-0.3 -1,-0.1 24,-0.2 3,-0.1 0.830 80.3 -5.7-100.7 -42.2 -0.7 14.3 -15.8 39 38 A S S S+ 0 0 99 1,-0.2 2,-0.9 24,-0.1 -2,-0.1 0.797 109.9 65.0-124.4 -63.8 2.8 15.6 -16.8 40 39 A N > - 0 0 89 1,-0.2 4,-1.1 2,-0.0 -1,-0.2 -0.644 43.4-179.8 -87.6 105.3 4.6 18.4 -15.0 41 40 A A H > S+ 0 0 39 -2,-0.9 4,-2.7 1,-0.2 5,-0.2 0.856 77.1 62.9 -65.6 -36.0 5.4 17.6 -11.3 42 41 A E H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 103.1 46.3 -65.1 -43.9 7.1 21.0 -10.6 43 42 A V H > S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.891 115.4 46.9 -61.8 -42.3 3.9 23.1 -11.2 44 43 A A H X S+ 0 0 0 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.884 113.0 48.8 -69.8 -39.8 1.8 20.8 -9.1 45 44 A D H X S+ 0 0 67 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.862 108.3 54.3 -66.9 -36.3 4.4 20.7 -6.3 46 45 A A H X S+ 0 0 59 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.886 109.6 47.7 -67.0 -37.9 4.6 24.5 -6.3 47 46 A L H X S+ 0 0 11 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.939 111.6 49.7 -64.2 -46.7 0.8 24.7 -5.9 48 47 A K H X S+ 0 0 47 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.912 112.9 48.5 -58.6 -43.1 1.0 22.1 -3.0 49 48 A N H X S+ 0 0 77 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.920 107.1 54.2 -60.7 -47.5 3.8 24.1 -1.5 50 49 A E H X S+ 0 0 67 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.904 111.5 46.0 -55.8 -42.4 1.9 27.4 -1.8 51 50 A L H <>S+ 0 0 2 -4,-2.3 5,-2.3 1,-0.2 3,-0.3 0.853 110.7 51.0 -72.0 -36.8 -1.1 25.9 0.0 52 51 A E H ><5S+ 0 0 83 -4,-2.0 3,-2.1 1,-0.2 -1,-0.2 0.874 103.2 60.4 -66.9 -36.4 1.0 24.3 2.8 53 52 A E H 3<5S+ 0 0 155 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.786 103.4 52.2 -63.6 -26.1 2.7 27.7 3.4 54 53 A K T 3<5S- 0 0 119 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.305 126.2-101.4 -89.5 6.8 -0.7 29.1 4.2 55 54 A G T < 5S+ 0 0 68 -3,-2.1 -3,-0.2 1,-0.3 2,-0.1 0.596 80.2 129.8 86.4 15.0 -1.5 26.4 6.7 56 55 A Y < - 0 0 82 -5,-2.3 2,-0.5 -6,-0.1 -1,-0.3 -0.461 59.1-111.7 -98.8 167.2 -3.7 24.3 4.5 57 56 A K + 0 0 148 -26,-0.4 -24,-2.0 -30,-0.3 2,-0.3 -0.889 46.2 153.2-102.9 133.0 -3.6 20.5 3.7 58 57 A A E -c 33 0A 7 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.2 -0.996 19.7-176.4-158.5 150.0 -2.7 19.4 0.3 59 58 A A E -c 34 0A 15 -26,-2.5 -24,-3.1 -2,-0.3 2,-0.3 -0.956 19.4-131.4-145.0 161.4 -1.2 16.5 -1.7 60 59 A V E -c 35 0A 34 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.842 18.9-174.1-114.7 152.5 -0.2 15.8 -5.4 61 60 A I E -c 36 0A 15 -26,-2.0 -24,-1.7 -2,-0.3 2,-0.5 -0.923 15.2-141.0-153.6 123.5 -1.1 12.8 -7.4 62 61 A K E +c 37 0A 120 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.704 43.8 114.1 -89.5 124.3 -0.0 11.8 -10.9 63 62 A F - 0 0 6 -26,-1.9 2,-0.6 -2,-0.5 -2,-0.1 -0.922 59.8-110.0-172.3 164.8 -2.4 10.1 -13.3 64 63 A D > - 0 0 68 -2,-0.3 3,-1.9 1,-0.1 7,-0.3 -0.895 21.5-154.4-102.1 114.8 -4.3 10.4 -16.5 65 64 A A T 3 S+ 0 0 5 -2,-0.6 57,-0.2 1,-0.3 -1,-0.1 0.763 93.8 62.0 -64.8 -26.4 -8.0 10.8 -15.8 66 65 A A T 3 S+ 0 0 26 55,-0.1 2,-0.7 -3,-0.1 -1,-0.3 0.695 89.4 84.1 -66.6 -21.1 -8.8 9.4 -19.3 67 66 A S <> - 0 0 37 -3,-1.9 4,-2.0 1,-0.2 5,-0.2 -0.775 67.9-156.4 -90.1 116.1 -7.1 6.1 -18.2 68 67 A E H > S+ 0 0 71 -2,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.854 93.5 47.1 -47.4 -47.6 -9.4 3.8 -16.2 69 68 A S H > S+ 0 0 91 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.873 110.2 51.5 -77.6 -36.6 -6.6 1.9 -14.5 70 69 A D H > S+ 0 0 57 -6,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.854 111.1 49.3 -60.4 -39.1 -4.7 5.1 -13.5 71 70 A F H X S+ 0 0 0 -4,-2.0 4,-2.1 -7,-0.3 -2,-0.2 0.916 111.0 48.5 -71.9 -42.2 -7.9 6.6 -12.0 72 71 A I H X S+ 0 0 67 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.929 112.2 49.2 -62.7 -45.2 -8.6 3.4 -10.0 73 72 A E H X S+ 0 0 131 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.956 109.4 52.7 -57.7 -49.2 -5.0 3.2 -8.7 74 73 A A H X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.890 109.2 48.1 -60.7 -40.9 -5.1 6.9 -7.6 75 74 A I H X S+ 0 0 10 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.920 109.0 53.9 -62.3 -44.9 -8.3 6.5 -5.6 76 75 A Q H X S+ 0 0 57 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.932 108.3 51.4 -56.3 -40.3 -6.9 3.4 -3.9 77 76 A T H X S+ 0 0 60 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.930 111.3 46.1 -61.4 -46.5 -3.9 5.5 -3.0 78 77 A I H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.4 0.921 111.3 50.5 -63.7 -44.5 -6.2 8.2 -1.5 79 78 A V H X S+ 0 0 52 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.917 110.7 51.8 -58.8 -41.6 -8.3 5.7 0.5 80 79 A Q H < S+ 0 0 182 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.881 117.3 37.2 -61.4 -42.3 -5.1 4.2 1.8 81 80 A S H < S+ 0 0 75 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.870 132.7 23.1 -76.9 -42.4 -3.7 7.6 3.0 82 81 A D H < S- 0 0 52 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.497 98.8-116.0-108.6 -10.9 -6.9 9.2 4.2 83 82 A G S < S- 0 0 66 -4,-2.4 2,-0.3 -5,-0.4 -4,-0.2 0.197 84.1 -11.4 91.7 -17.4 -9.3 6.4 5.0 84 83 A G - 0 0 21 -6,-0.4 2,-0.4 -9,-0.0 -2,-0.1 -0.971 68.6-103.2 178.1-172.5 -11.8 7.4 2.3 85 84 A L + 0 0 7 44,-0.3 -76,-0.1 -2,-0.3 3,-0.1 -0.951 24.5 175.4-138.8 120.6 -12.8 10.1 -0.2 86 85 A S + 0 0 14 -78,-0.5 51,-1.5 -2,-0.4 2,-0.3 0.810 65.7 34.9 -92.7 -30.7 -15.7 12.4 0.4 87 86 A Y E -bd 9 137A 0 -79,-1.4 -77,-2.1 49,-0.2 2,-0.4 -0.957 55.7-175.1-134.8 144.6 -15.5 14.8 -2.5 88 87 A L E -bd 10 138A 1 49,-1.7 51,-2.4 -2,-0.3 2,-0.5 -0.998 7.6-166.0-140.7 139.5 -14.6 14.7 -6.2 89 88 A V E -bd 11 139A 0 -79,-3.1 -77,-2.4 -2,-0.4 2,-1.0 -0.955 9.8-156.0-125.9 113.2 -14.3 17.3 -8.9 90 89 A N E + d 0 140A 3 49,-2.2 51,-3.1 -2,-0.5 29,-0.1 -0.766 39.1 140.7 -85.5 104.3 -14.0 16.2 -12.5 91 90 A N + 0 0 24 -2,-1.0 -1,-0.2 49,-0.2 -78,-0.1 0.545 19.7 126.6-119.7 -14.9 -12.3 19.0 -14.1 92 91 A A + 0 0 17 -3,-0.2 2,-0.3 26,-0.1 27,-0.1 -0.210 36.6 152.7 -53.8 128.5 -9.9 17.3 -16.6 93 92 A G - 0 0 44 25,-0.1 2,-0.3 -80,-0.0 22,-0.1 -0.950 27.1-174.0-163.1 141.9 -10.6 18.8 -20.0 94 93 A V - 0 0 45 -2,-0.3 2,-0.3 17,-0.2 21,-0.0 -0.862 13.9-145.5-127.2 161.6 -9.0 19.6 -23.4 95 94 A V + 0 0 82 -2,-0.3 58,-0.1 2,-0.0 -2,-0.0 -0.918 17.5 174.6-122.1 156.2 -10.1 21.5 -26.5 96 95 A R - 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