==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-MAR-13 4JRO . COMPND 2 MOLECULE: FABG PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES; . AUTHOR J.HOU,H.ZHENG,D.R.COOPER,T.OSINSKI,S.SHATSMAN,W.F.ANDERSON,W . 976 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 735 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 146 15.0 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 . 43 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 376 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.9 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 5 1 0 1 2 0 0 5 11 0 0 4 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 2 14 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 1 A M > 0 0 135 0, 0.0 3,-1.1 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 101.1 -47.0 25.0 16.2 2 2 A T T 3 + 0 0 91 1,-0.3 227,-0.3 28,-0.0 27,-0.1 0.491 360.0 46.5 -83.2 -7.4 -45.6 21.6 16.8 3 3 A L T > S+ 0 0 4 25,-2.5 3,-2.4 22,-0.1 -1,-0.3 0.009 74.8 162.1-121.0 26.6 -45.9 21.5 20.6 4 4 A Q T < S+ 0 0 124 -3,-1.1 26,-0.2 1,-0.3 25,-0.1 -0.221 73.9 1.9 -49.3 123.9 -49.5 22.9 20.9 5 5 A G T 3 S+ 0 0 58 24,-1.1 -1,-0.3 1,-0.2 25,-0.1 0.393 98.5 133.4 77.9 -3.5 -50.9 22.0 24.4 6 6 A K < - 0 0 85 -3,-2.4 25,-2.6 23,-0.1 2,-0.5 -0.370 50.3-136.7 -76.7 158.3 -47.7 20.3 25.6 7 7 A V E -a 31 0A 4 23,-0.2 79,-2.1 -3,-0.1 78,-1.9 -0.987 20.0-168.9-116.5 120.7 -46.2 21.0 29.0 8 8 A A E -ab 32 86A 0 23,-2.8 25,-2.5 -2,-0.5 2,-0.5 -0.955 10.1-157.9-110.7 131.1 -42.4 21.4 29.2 9 9 A V E -ab 33 87A 0 77,-2.9 79,-3.2 -2,-0.5 2,-0.5 -0.936 12.0-170.9-100.7 126.5 -40.3 21.6 32.4 10 10 A V E > -ab 34 88A 0 23,-2.1 3,-1.1 -2,-0.5 25,-0.8 -0.952 10.5-151.7-120.4 110.9 -37.0 23.3 31.9 11 11 A T E 3 S+ b 0 89A 4 77,-2.8 79,-0.6 -2,-0.5 25,-0.1 -0.609 88.2 19.4 -78.4 141.4 -34.5 23.1 34.7 12 12 A G T > S+ 0 0 11 -2,-0.3 3,-1.1 78,-0.2 6,-0.3 0.707 85.4 142.6 73.7 20.4 -32.1 26.1 34.8 13 13 A G T < + 0 0 0 -3,-1.1 9,-0.1 1,-0.2 -2,-0.1 0.526 44.7 81.7 -75.5 -5.1 -34.7 27.9 32.6 14 14 A S T 3 S+ 0 0 6 21,-0.5 2,-0.3 -4,-0.1 32,-0.3 0.610 99.5 11.4 -78.6 -13.3 -34.3 31.3 34.2 15 15 A R S X> S- 0 0 144 -3,-1.1 4,-1.3 30,-0.1 3,-0.8 -0.978 102.3 -3.2-156.1 167.0 -31.2 32.3 32.2 16 16 A G H 3> S- 0 0 47 -2,-0.3 4,-1.8 1,-0.2 3,-0.3 -0.094 121.6 -5.4 54.4-136.1 -28.8 31.7 29.4 17 17 A I H 3> S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.861 134.9 58.0 -60.8 -41.1 -29.3 28.6 27.2 18 18 A G H <> S+ 0 0 1 -3,-0.8 4,-2.4 -6,-0.3 -1,-0.2 0.894 105.9 49.2 -54.2 -45.6 -32.1 27.4 29.5 19 19 A R H X S+ 0 0 53 -4,-1.3 4,-2.4 -3,-0.3 -1,-0.2 0.917 111.3 48.9 -61.4 -44.7 -34.0 30.7 29.0 20 20 A D H X S+ 0 0 44 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.853 109.9 51.7 -70.9 -30.7 -33.6 30.4 25.2 21 21 A I H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.936 110.4 49.2 -61.5 -48.9 -34.8 26.7 25.3 22 22 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.897 113.3 46.7 -59.1 -41.4 -37.9 27.8 27.3 23 23 A I H X S+ 0 0 31 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.881 111.6 50.3 -67.4 -42.5 -38.6 30.6 24.8 24 24 A N H X S+ 0 0 9 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.920 112.6 46.8 -62.9 -42.4 -38.1 28.3 21.7 25 25 A L H <>S+ 0 0 1 -4,-2.6 5,-2.2 1,-0.2 3,-0.5 0.877 111.0 52.7 -69.1 -35.6 -40.5 25.7 23.2 26 26 A A H ><5S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.879 102.6 57.9 -62.6 -39.8 -43.0 28.4 24.1 27 27 A K H 3<5S+ 0 0 116 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.728 104.8 52.4 -65.5 -21.7 -42.9 29.7 20.4 28 28 A E T 3<5S- 0 0 43 -4,-0.8 -25,-2.5 -3,-0.5 -1,-0.3 0.349 130.7 -95.5 -93.1 2.2 -44.0 26.1 19.4 29 29 A G T < 5S+ 0 0 3 -3,-1.7 -24,-1.1 1,-0.3 2,-0.3 0.498 74.4 143.4 103.6 7.9 -46.9 26.3 21.8 30 30 A A < - 0 0 0 -5,-2.2 -1,-0.3 -26,-0.2 2,-0.3 -0.607 48.0-129.9 -80.5 136.8 -45.7 24.6 25.0 31 31 A N E -a 7 0A 31 -25,-2.6 -23,-2.8 -2,-0.3 2,-0.5 -0.627 32.1-137.5 -71.9 145.1 -46.6 25.8 28.4 32 32 A I E +ac 8 57A 0 24,-2.2 26,-2.2 -2,-0.3 2,-0.4 -0.926 26.5 179.3-121.9 129.8 -43.5 26.2 30.5 33 33 A F E +ac 9 58A 0 -25,-2.5 -23,-2.1 -2,-0.5 2,-0.3 -0.994 22.0 164.7-119.7 127.1 -42.7 25.3 34.1 34 34 A F E -ac 10 59A 0 24,-2.2 26,-2.1 -2,-0.4 2,-0.2 -0.966 26.7-126.3-143.0 160.7 -39.1 26.2 35.3 35 35 A N E - c 0 60A 5 -25,-0.8 -21,-0.5 -2,-0.3 2,-0.3 -0.570 20.0-176.5-101.8 163.7 -37.0 26.6 38.5 36 36 A Y E - c 0 61A 46 24,-1.5 26,-2.3 -2,-0.2 2,-0.3 -0.957 11.1-148.2-147.6 169.8 -34.8 29.3 39.9 37 37 A N - 0 0 86 -2,-0.3 2,-0.3 2,-0.2 6,-0.1 -0.979 61.9 -5.1-136.2 149.7 -32.6 30.0 42.9 38 38 A G S S+ 0 0 48 -2,-0.3 -2,-0.0 2,-0.1 23,-0.0 -0.525 117.6 23.5 75.8-128.5 -31.7 33.1 44.8 39 39 A S - 0 0 75 -2,-0.3 3,-0.4 1,-0.1 4,-0.4 -0.474 67.1-140.8 -74.3 142.7 -33.2 36.3 43.5 40 40 A P S > S+ 0 0 50 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.411 77.7 100.0 -82.0 5.7 -36.3 36.0 41.3 41 41 A E H > S+ 0 0 139 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.914 82.9 41.8 -61.8 -51.4 -35.1 38.7 38.9 42 42 A A H > S+ 0 0 38 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.905 115.5 52.9 -59.8 -41.9 -33.8 36.5 36.1 43 43 A A H > S+ 0 0 4 -4,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.867 105.6 53.8 -60.0 -41.0 -36.8 34.3 36.5 44 44 A E H X S+ 0 0 121 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.893 109.2 48.7 -60.3 -41.7 -39.2 37.3 36.1 45 45 A E H X S+ 0 0 77 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.920 111.3 49.2 -66.6 -44.0 -37.5 38.2 32.9 46 46 A T H X S+ 0 0 0 -4,-2.3 4,-2.6 -32,-0.3 5,-0.2 0.944 110.0 50.9 -59.5 -49.0 -37.8 34.7 31.5 47 47 A A H X S+ 0 0 27 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.848 110.4 50.9 -57.3 -38.1 -41.5 34.5 32.4 48 48 A K H X S+ 0 0 99 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.908 110.7 47.0 -64.9 -46.5 -42.1 37.8 30.6 49 49 A L H < S+ 0 0 42 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.896 114.6 47.7 -67.8 -36.5 -40.3 36.6 27.5 50 50 A V H ><>S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.2 5,-0.6 0.912 106.7 55.5 -67.1 -45.9 -42.2 33.3 27.5 51 51 A A H ><5S+ 0 0 48 -4,-2.3 3,-2.1 1,-0.3 -1,-0.2 0.761 91.7 72.7 -64.8 -25.0 -45.7 34.9 28.1 52 52 A E T 3<5S+ 0 0 129 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.699 91.0 60.7 -59.9 -19.4 -45.2 37.1 25.0 53 53 A H T < 5S- 0 0 69 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.320 118.5-112.6 -91.0 6.9 -45.8 33.9 23.0 54 54 A G T < 5S+ 0 0 71 -3,-2.1 2,-0.3 1,-0.3 -3,-0.1 0.706 76.3 118.5 76.2 22.7 -49.2 33.4 24.5 55 55 A V < - 0 0 19 -5,-0.6 -1,-0.3 -25,-0.1 2,-0.2 -0.740 68.4 -98.7-111.3 168.5 -48.6 30.3 26.5 56 56 A E - 0 0 96 -2,-0.3 -24,-2.2 -3,-0.1 2,-0.3 -0.547 41.2-176.0 -85.1 150.4 -48.9 29.8 30.3 57 57 A V E -c 32 0A 30 -26,-0.2 2,-0.4 -2,-0.2 -24,-0.2 -0.994 11.7-175.8-152.5 137.2 -45.7 29.9 32.4 58 58 A E E -c 33 0A 48 -26,-2.2 -24,-2.2 -2,-0.3 2,-0.4 -1.000 9.5-157.0-137.5 135.8 -44.8 29.4 36.0 59 59 A A E -c 34 0A 35 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.847 13.5-173.7-101.7 144.4 -41.5 29.8 37.9 60 60 A M E -c 35 0A 47 -26,-2.1 -24,-1.5 -2,-0.4 2,-0.4 -0.998 28.2-116.0-139.8 141.6 -40.8 28.0 41.1 61 61 A K E +c 36 0A 117 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.601 54.2 141.0 -73.2 122.8 -37.9 28.2 43.6 62 62 A A - 0 0 3 -26,-2.3 2,-0.6 -2,-0.4 -2,-0.1 -0.868 45.3-142.5-165.8 135.5 -36.0 24.9 43.7 63 63 A N > - 0 0 48 -2,-0.3 3,-2.0 1,-0.1 7,-0.3 -0.892 17.6-148.0 -97.6 117.8 -32.4 23.6 43.9 64 64 A V T 3 S+ 0 0 9 -2,-0.6 56,-0.2 1,-0.3 57,-0.1 0.657 94.0 63.4 -65.9 -17.7 -32.1 20.5 41.7 65 65 A A T 3 S+ 0 0 14 1,-0.1 2,-0.6 55,-0.1 -1,-0.3 0.655 89.6 81.1 -73.6 -15.9 -29.5 19.0 44.0 66 66 A I <> - 0 0 76 -3,-2.0 4,-2.2 1,-0.2 3,-0.2 -0.832 67.9-154.0-104.1 114.6 -32.0 18.8 46.8 67 67 A A H > S+ 0 0 17 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.880 95.4 52.9 -50.7 -44.2 -34.4 15.8 46.8 68 68 A E H > S+ 0 0 138 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 109.5 47.6 -60.7 -48.9 -37.1 17.7 48.8 69 69 A D H > S+ 0 0 57 -3,-0.2 4,-2.2 -6,-0.2 -1,-0.2 0.875 112.1 50.4 -56.5 -43.7 -37.0 20.7 46.4 70 70 A V H X S+ 0 0 3 -4,-2.2 4,-2.4 -7,-0.3 5,-0.3 0.948 109.0 51.1 -65.2 -47.8 -37.3 18.4 43.4 71 71 A D H X S+ 0 0 96 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.921 114.4 43.2 -51.3 -50.8 -40.3 16.4 44.8 72 72 A A H X S+ 0 0 47 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.855 111.0 56.3 -68.5 -35.4 -42.2 19.6 45.5 73 73 A F H X S+ 0 0 4 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.944 111.5 41.2 -60.9 -51.1 -41.2 21.1 42.2 74 74 A F H X S+ 0 0 10 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.861 111.6 55.6 -69.9 -34.4 -42.7 18.3 40.2 75 75 A K H X S+ 0 0 163 -4,-2.0 4,-2.9 -5,-0.3 -1,-0.2 0.933 110.8 45.9 -60.4 -43.4 -45.7 18.0 42.4 76 76 A Q H X S+ 0 0 68 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.826 108.0 56.5 -70.4 -32.7 -46.5 21.7 41.7 77 77 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 6,-0.3 0.893 112.1 42.7 -61.6 -41.3 -45.8 21.2 38.0 78 78 A I H X S+ 0 0 54 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.966 114.7 49.6 -69.2 -53.4 -48.5 18.5 38.0 79 79 A E H < S+ 0 0 76 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.914 118.3 40.5 -48.2 -47.8 -50.9 20.5 40.2 80 80 A R H < S+ 0 0 87 -4,-2.9 -1,-0.2 1,-0.1 -2,-0.2 0.846 133.7 14.8 -74.0 -38.8 -50.5 23.6 37.9 81 81 A F H < S- 0 0 29 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.515 89.8-124.9-122.8 -10.1 -50.5 22.0 34.4 82 82 A G S < S+ 0 0 54 -4,-3.0 2,-0.3 -5,-0.3 -4,-0.2 -0.035 79.0 16.1 95.6 -31.4 -51.8 18.4 34.7 83 83 A R - 0 0 99 -6,-0.3 2,-0.4 -5,-0.0 -2,-0.1 -0.951 65.5-122.5-162.1 166.9 -49.0 16.5 33.1 84 84 A V + 0 0 0 -2,-0.3 -76,-0.1 41,-0.1 3,-0.1 -0.957 27.9 166.9-127.9 113.6 -45.4 16.7 32.0 85 85 A D S S+ 0 0 10 -78,-1.9 51,-1.8 -2,-0.4 2,-0.4 0.752 70.3 27.6 -91.0 -32.2 -44.8 16.0 28.3 86 86 A I E -bd 8 136A 2 -79,-2.1 -77,-2.9 49,-0.2 2,-0.4 -0.999 59.3-170.3-136.9 130.2 -41.2 17.3 28.0 87 87 A L E -bd 9 137A 0 49,-2.6 51,-2.7 -2,-0.4 2,-0.6 -0.987 4.0-168.7-120.1 122.4 -38.4 17.5 30.6 88 88 A V E -bd 10 138A 0 -79,-3.2 -77,-2.8 -2,-0.4 2,-1.3 -0.945 9.1-157.0-108.1 112.2 -35.2 19.5 29.7 89 89 A N E +bd 11 139A 2 49,-2.7 51,-2.4 -2,-0.6 -77,-0.1 -0.717 40.1 140.4 -88.6 90.1 -32.5 18.9 32.3 90 90 A N + 0 0 25 -2,-1.3 -1,-0.2 -79,-0.6 -78,-0.2 0.557 21.4 122.3-112.1 -10.2 -30.4 22.0 31.7 91 91 A A + 0 0 12 -3,-0.2 2,-0.3 22,-0.1 27,-0.1 -0.310 37.8 143.7 -57.8 129.6 -29.4 23.0 35.3 92 92 A G - 0 0 29 25,-0.1 2,-0.3 -80,-0.0 18,-0.1 -0.981 27.0-173.6-168.4 154.6 -25.6 23.1 35.5 93 93 A I - 0 0 38 -2,-0.3 2,-0.3 17,-0.2 21,-0.1 -0.909 15.1-136.5-144.0 166.5 -22.6 24.9 37.0 94 94 A T + 0 0 62 -2,-0.3 2,-0.1 2,-0.0 58,-0.0 -0.966 15.4 180.0-125.3 151.4 -18.8 25.0 36.8 95 95 A R - 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