==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-AUG-12 4GVX . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA MULTIVORANS; . AUTHOR M.W.VETTING,M.E.HOBBS,L.L.MORISCO,S.R.WASSERMAN,S.SOJITRA,H. . 1032 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 766 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 131 12.7 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 . 82 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 393 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.8 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 4 0 0 4 0 4 5 2 8 0 0 4 0 2 1 0 0 4 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 4 0 5 11 8 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 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 0 173 0, 0.0 2,-0.3 0, 0.0 234,-0.1 0.000 360.0 360.0 360.0 113.2 -1.7 -46.5 -1.9 2 2 A D - 0 0 88 1,-0.2 28,-0.0 2,-0.1 0, 0.0 -0.528 360.0-168.8 -67.1 125.7 -4.1 -45.3 0.8 3 3 A L - 0 0 19 -2,-0.3 232,-0.3 27,-0.1 -1,-0.2 0.543 27.2-135.7 -92.9 -9.3 -4.5 -48.1 3.3 4 4 A N + 0 0 75 229,-0.1 -2,-0.1 1,-0.1 27,-0.1 0.880 66.6 126.0 54.6 42.3 -7.4 -46.3 5.2 5 5 A L > + 0 0 8 25,-0.3 3,-2.2 228,-0.1 28,-0.2 0.260 26.6 139.7-107.2 7.0 -5.9 -47.2 8.5 6 6 A Q T 3 S- 0 0 65 1,-0.3 26,-0.3 26,-0.1 25,-0.1 -0.313 80.1 -0.8 -58.5 127.9 -5.9 -43.7 9.8 7 7 A D T 3 S+ 0 0 72 24,-3.0 2,-0.4 1,-0.2 -1,-0.3 0.555 94.3 142.3 67.8 10.3 -7.0 -43.6 13.5 8 8 A K < - 0 0 71 -3,-2.2 25,-3.5 77,-0.1 2,-0.6 -0.708 49.6-131.2 -81.9 134.3 -7.5 -47.4 13.6 9 9 A V E +a 33 0A 2 -2,-0.4 76,-3.0 23,-0.2 77,-1.8 -0.759 29.3 179.0 -95.2 118.6 -6.4 -48.9 16.9 10 10 A V E -ab 34 86A 2 23,-2.6 25,-2.7 -2,-0.6 2,-0.4 -0.966 20.8-146.0-128.9 120.3 -4.2 -51.9 16.6 11 11 A I E -ab 35 87A 1 75,-2.3 77,-3.1 -2,-0.5 2,-0.5 -0.676 15.1-168.0 -79.7 130.9 -2.6 -54.0 19.4 12 12 A V E > -ab 36 88A 0 23,-2.5 25,-2.0 -2,-0.4 3,-1.3 -0.954 11.6-147.0-122.0 109.6 0.8 -55.4 18.5 13 13 A T E 3 S+a 37 0A 0 75,-2.6 25,-0.2 -2,-0.5 23,-0.1 -0.590 90.3 10.0 -79.6 135.7 2.2 -58.0 20.9 14 14 A G T > S+ 0 0 19 23,-3.1 3,-1.0 -2,-0.3 7,-0.3 0.836 91.6 158.3 63.5 34.1 6.0 -57.8 21.1 15 15 A G T < + 0 0 0 -3,-1.3 9,-0.2 22,-0.5 10,-0.1 0.208 52.2 59.2 -82.6 13.9 5.5 -54.6 19.2 16 16 A A T 3 S+ 0 0 25 21,-0.1 27,-0.4 8,-0.1 2,-0.3 0.172 98.2 55.6-127.7 16.7 8.7 -52.8 20.1 17 17 A S S X> S- 0 0 63 -3,-1.0 4,-2.1 25,-0.1 3,-0.6 -0.990 103.8 -32.9-144.4 149.4 11.4 -55.2 18.9 18 18 A G H 3> S- 0 0 21 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 -0.032 125.7 -0.2 50.8-130.8 12.3 -56.8 15.5 19 19 A I H 3> S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.928 136.9 50.5 -57.7 -50.1 9.3 -57.7 13.4 20 20 A G H <> S+ 0 0 0 -3,-0.6 4,-2.6 -6,-0.3 -2,-0.2 0.873 108.2 52.9 -58.4 -41.0 6.7 -56.3 15.8 21 21 A G H X S+ 0 0 6 -4,-2.1 4,-2.5 -7,-0.3 -1,-0.2 0.892 109.2 49.5 -60.9 -41.7 8.6 -53.0 16.2 22 22 A A H X S+ 0 0 10 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.864 109.7 51.6 -67.8 -35.0 8.6 -52.6 12.4 23 23 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.943 110.8 47.9 -65.1 -46.5 4.8 -53.4 12.3 24 24 A S H X S+ 0 0 0 -4,-2.6 4,-2.6 -9,-0.2 -2,-0.2 0.931 112.5 49.2 -58.1 -44.9 4.2 -50.7 14.9 25 25 A M H X S+ 0 0 36 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.899 112.1 47.2 -65.1 -41.7 6.3 -48.2 13.1 26 26 A R H X S+ 0 0 81 -4,-2.4 4,-2.1 2,-0.2 6,-0.2 0.916 110.9 52.3 -66.4 -41.7 4.6 -48.8 9.8 27 27 A L H <>S+ 0 0 0 -4,-2.7 5,-2.5 2,-0.2 -2,-0.2 0.936 110.8 48.0 -55.7 -47.7 1.2 -48.6 11.4 28 28 A A H ><5S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.905 108.2 54.3 -61.1 -41.3 2.2 -45.2 12.9 29 29 A E H 3<5S+ 0 0 104 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.878 108.2 49.6 -59.6 -37.4 3.5 -44.1 9.5 30 30 A E T 3<5S- 0 0 37 -4,-2.1 -25,-0.3 -5,-0.1 -1,-0.3 0.379 122.3-111.7 -82.0 4.6 0.0 -44.9 8.1 31 31 A R T < 5S+ 0 0 127 -3,-1.7 -24,-3.0 1,-0.3 -3,-0.2 0.562 73.4 138.0 70.7 13.8 -1.5 -42.9 11.0 32 32 A A < - 0 0 0 -5,-2.5 -1,-0.3 -26,-0.3 -23,-0.2 -0.323 60.0-114.8 -68.9 168.9 -3.0 -46.0 12.6 33 33 A I E -a 9 0A 1 -25,-3.5 -23,-2.6 -28,-0.2 2,-0.3 -0.873 29.2-159.6-113.9 97.8 -2.6 -46.1 16.4 34 34 A P E -a 10 0A 0 0, 0.0 24,-1.8 0, 0.0 2,-0.5 -0.586 2.9-161.0 -78.9 139.4 -0.3 -49.0 17.4 35 35 A V E -ac 11 58A 0 -25,-2.7 -23,-2.5 -2,-0.3 2,-0.5 -0.958 14.1-145.9-119.7 106.2 -0.7 -50.2 21.0 36 36 A V E -ac 12 59A 0 22,-2.8 24,-3.1 -2,-0.5 2,-0.6 -0.634 11.9-168.3 -79.4 122.3 2.4 -52.1 22.0 37 37 A F E +ac 13 60A 0 -25,-2.0 -23,-3.1 -2,-0.5 -22,-0.5 -0.952 32.7 135.3-105.3 115.7 1.9 -55.0 24.4 38 38 A A E - c 0 61A 15 22,-1.7 24,-1.8 -2,-0.6 25,-0.1 -0.992 57.8-126.5-159.2 158.1 5.2 -56.2 25.7 39 39 A R S S+ 0 0 136 -2,-0.3 2,-0.4 22,-0.2 24,-0.1 0.780 92.2 52.8 -84.1 -24.0 6.9 -57.2 28.9 40 40 A H S S- 0 0 143 22,-0.1 -24,-0.1 21,-0.0 22,-0.1 -0.899 94.2-101.7-114.5 142.0 9.9 -54.8 28.7 41 41 A A - 0 0 53 -2,-0.4 3,-0.1 1,-0.1 -2,-0.1 -0.314 42.3-113.0 -60.5 134.5 9.8 -51.0 28.2 42 42 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.242 37.9 -92.1 -62.8 155.2 10.6 -49.9 24.7 43 43 A D > - 0 0 130 -27,-0.4 4,-2.1 1,-0.1 3,-0.3 -0.406 34.4-118.3 -67.5 149.2 13.7 -47.9 24.0 44 44 A G H > S+ 0 0 46 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.853 110.9 53.8 -60.9 -39.4 13.3 -44.2 24.1 45 45 A A H > S+ 0 0 78 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.883 108.4 50.4 -65.6 -38.6 14.3 -43.5 20.4 46 46 A F H > S+ 0 0 35 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.935 111.4 48.1 -62.0 -47.0 11.7 -46.0 19.2 47 47 A L H X S+ 0 0 20 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.898 111.2 51.3 -60.8 -41.3 9.0 -44.3 21.4 48 48 A D H X S+ 0 0 95 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.936 111.6 46.9 -57.9 -49.0 10.1 -40.9 20.0 49 49 A A H X S+ 0 0 21 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.879 112.9 49.0 -64.3 -39.5 9.8 -42.2 16.4 50 50 A L H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 3,-0.3 0.958 112.9 47.0 -62.9 -49.6 6.4 -43.8 17.0 51 51 A A H < S+ 0 0 19 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.819 106.5 58.1 -65.5 -32.8 5.1 -40.6 18.7 52 52 A Q H < S+ 0 0 148 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.892 115.2 36.9 -62.5 -38.6 6.4 -38.4 15.9 53 53 A R H < S+ 0 0 99 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.884 141.6 6.4 -79.2 -41.8 4.4 -40.4 13.4 54 54 A Q >< - 0 0 11 -4,-3.0 3,-2.1 -5,-0.2 -1,-0.3 -0.811 62.6-164.8-147.0 97.7 1.3 -40.9 15.6 55 55 A P T 3 S+ 0 0 39 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.686 88.5 62.5 -63.6 -15.0 1.3 -39.1 19.0 56 56 A R T 3 S+ 0 0 64 -6,-0.1 -5,-0.1 -5,-0.1 -23,-0.1 0.567 76.3 115.6 -86.1 -6.8 -1.5 -41.4 20.3 57 57 A A < + 0 0 7 -3,-2.1 2,-0.3 -7,-0.2 -22,-0.2 -0.245 45.7 175.3 -56.4 148.3 0.6 -44.5 20.0 58 58 A T E -c 35 0A 20 -24,-1.8 -22,-2.8 2,-0.0 2,-0.4 -0.935 27.8-129.4-152.8 175.9 1.3 -46.1 23.3 59 59 A Y E -c 36 0A 8 -2,-0.3 -22,-0.2 -24,-0.2 280,-0.0 -0.986 11.5-167.1-132.1 136.1 2.8 -49.0 25.3 60 60 A L E -c 37 0A 7 -24,-3.1 -22,-1.7 -2,-0.4 2,-0.4 -0.997 26.7-124.5-122.5 127.9 1.3 -51.2 28.0 61 61 A P E +c 38 0A 57 0, 0.0 2,-0.3 0, 0.0 -22,-0.2 -0.581 44.5 162.9 -70.7 121.6 3.5 -53.5 30.1 62 62 A V - 0 0 2 -24,-1.8 2,-0.8 -2,-0.4 -22,-0.1 -0.974 39.0-152.4-145.3 125.5 2.2 -57.0 29.7 63 63 A E > - 0 0 50 -2,-0.3 3,-2.0 1,-0.1 7,-0.2 -0.912 23.1-154.6 -89.9 109.4 3.6 -60.5 30.4 64 64 A L T 3 S+ 0 0 14 -2,-0.8 6,-0.1 1,-0.3 -1,-0.1 0.689 86.2 66.9 -66.7 -19.6 1.5 -62.3 27.8 65 65 A Q T 3 S+ 0 0 66 1,-0.1 2,-0.8 4,-0.1 -1,-0.3 0.563 85.0 83.5 -76.4 -8.4 1.7 -65.7 29.6 66 66 A D <> - 0 0 65 -3,-2.0 4,-1.9 1,-0.2 3,-0.4 -0.861 67.6-161.2 -97.5 108.1 -0.4 -64.1 32.3 67 67 A D H > S+ 0 0 34 -2,-0.8 4,-2.6 1,-0.3 -1,-0.2 0.877 90.0 53.7 -59.7 -39.4 -4.0 -64.4 31.3 68 68 A A H > S+ 0 0 34 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.863 106.6 52.8 -63.0 -36.9 -5.1 -61.8 33.7 69 69 A Q H > S+ 0 0 71 -3,-0.4 4,-2.1 -6,-0.2 -1,-0.2 0.904 110.0 47.4 -66.6 -40.5 -2.6 -59.3 32.3 70 70 A C H X S+ 0 0 0 -4,-1.9 4,-2.3 -7,-0.2 5,-0.3 0.945 113.6 49.5 -60.9 -48.3 -3.8 -59.9 28.8 71 71 A R H X S+ 0 0 113 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.945 114.2 43.1 -55.5 -53.5 -7.4 -59.4 30.0 72 72 A D H X S+ 0 0 84 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.826 112.6 53.1 -66.7 -32.7 -6.7 -56.2 31.9 73 73 A A H X S+ 0 0 5 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.882 109.1 47.6 -74.1 -37.7 -4.5 -54.8 29.1 74 74 A V H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.935 113.1 50.5 -63.0 -45.1 -7.2 -55.3 26.4 75 75 A A H X S+ 0 0 58 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.904 110.3 49.1 -58.1 -42.5 -9.7 -53.7 28.8 76 76 A Q H X S+ 0 0 36 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.870 108.6 53.7 -65.9 -36.0 -7.3 -50.7 29.4 77 77 A T H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 5,-0.4 0.924 110.8 45.4 -64.5 -44.1 -6.9 -50.3 25.6 78 78 A I H X S+ 0 0 36 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.898 112.7 51.7 -65.4 -40.0 -10.7 -50.1 25.1 79 79 A A H < S+ 0 0 28 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.877 116.1 41.1 -63.1 -36.1 -11.0 -47.7 28.1 80 80 A T H < S+ 0 0 24 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.877 132.1 18.9 -80.2 -42.0 -8.3 -45.5 26.6 81 81 A F H < S- 0 0 26 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.573 88.4-133.5-111.5 -16.6 -9.2 -45.5 22.9 82 82 A G S < S+ 0 0 62 -4,-2.2 2,-0.3 -5,-0.4 -4,-0.2 0.420 77.8 41.2 82.2 -2.0 -12.9 -46.7 22.9 83 83 A R - 0 0 92 -6,-0.3 2,-0.4 48,-0.0 -2,-0.1 -0.976 63.1-141.6-164.4 163.4 -12.4 -49.2 20.1 84 84 A L + 0 0 0 43,-0.4 47,-0.3 -2,-0.3 49,-0.2 -0.965 17.1 171.8-140.3 126.6 -10.1 -51.9 18.7 85 85 A D + 0 0 17 -76,-3.0 49,-1.8 -2,-0.4 2,-0.3 0.590 63.9 16.2-108.6 -18.0 -9.5 -52.3 14.9 86 86 A G E -bd 10 134A 1 -77,-1.8 -75,-2.3 47,-0.2 2,-0.4 -0.999 48.6-157.8-156.2 154.4 -6.7 -54.8 14.8 87 87 A L E -bd 11 135A 0 47,-1.9 49,-2.5 -2,-0.3 2,-0.6 -0.989 6.8-168.4-131.4 124.5 -4.7 -57.4 16.6 88 88 A V E -bd 12 136A 0 -77,-3.1 -75,-2.6 -2,-0.4 2,-0.7 -0.951 8.6-159.1-109.3 108.5 -1.2 -58.5 15.6 89 89 A N E + d 0 137A 0 47,-2.2 49,-2.8 -2,-0.6 28,-0.1 -0.804 40.1 134.9 -81.7 112.9 -0.2 -61.6 17.5 90 90 A N + 0 0 20 -2,-0.7 -1,-0.2 47,-0.2 -76,-0.2 0.603 19.3 112.2-137.2 -29.6 3.6 -61.5 17.1 91 91 A A + 0 0 19 -54,-0.1 2,-0.3 -71,-0.0 -77,-0.1 -0.289 43.5 133.6 -57.7 136.0 5.5 -62.2 20.4 92 92 A G - 0 0 32 -78,-0.1 2,-0.3 2,-0.0 21,-0.1 -0.981 38.7-148.4-172.7 167.1 7.4 -65.4 20.2 93 93 A V - 0 0 43 -2,-0.3 2,-1.3 16,-0.2 19,-0.1 -0.945 20.0-135.8-152.2 123.2 10.7 -67.2 20.9 94 94 A N + 0 0 21 -2,-0.3 -2,-0.0 1,-0.2 15,-0.0 -0.689 35.2 177.2 -76.9 96.8 12.3 -70.1 19.1 95 95 A D - 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