==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 02-DEC-12 4I83 . COMPND 2 MOLECULE: 3-HYDROXYACYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR Y.B.KHANDOKAR,J.K.FORWOOD . 864 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 676 78.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 317 36.7 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 . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 1.3 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 . 93 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 0 0 6 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 18 0 6 6 0 7 0 4 7 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 0 0 0 0 0 0 0 0 0 0 3 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 3 A V 0 0 119 0, 0.0 2,-0.5 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 146.0 -9.3 -34.7 12.6 2 4 A Q - 0 0 180 2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.682 360.0-113.8 -89.7 120.6 -13.0 -33.5 12.9 3 5 A L S S+ 0 0 73 -2,-0.5 2,-0.1 2,-0.1 24,-0.1 -0.780 87.2 41.4-104.8 147.8 -14.2 -31.0 10.3 4 6 A P S S- 0 0 70 0, 0.0 2,-0.7 0, 0.0 23,-0.2 0.543 74.7-151.6 -73.9 151.8 -15.2 -28.2 10.2 5 7 A I E -A 26 0A 13 21,-2.3 21,-2.5 -2,-0.1 2,-0.1 -0.852 18.9-142.4 -88.8 117.7 -12.5 -26.8 12.5 6 8 A E E >> -A 25 0A 35 -2,-0.7 3,-2.2 19,-0.2 4,-2.1 -0.412 22.8-104.6 -80.9 158.4 -14.1 -23.8 14.2 7 9 A A H 3> S+ 0 0 1 17,-1.0 4,-1.9 532,-0.4 5,-0.2 0.889 120.4 61.7 -46.3 -47.0 -12.3 -20.5 15.0 8 10 A K H 34 S+ 0 0 83 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.797 112.3 38.9 -51.7 -29.2 -12.2 -21.5 18.7 9 11 A D H X> S+ 0 0 50 -3,-2.2 3,-1.3 2,-0.2 4,-0.9 0.778 103.6 64.5 -96.3 -29.6 -10.1 -24.5 17.7 10 12 A I H >X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 3,-0.7 0.855 99.5 60.2 -52.0 -35.1 -8.0 -22.8 15.0 11 13 A Q H 3< S+ 0 0 13 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.696 97.2 55.8 -68.2 -23.3 -6.7 -20.8 18.0 12 14 A K H <4 S+ 0 0 130 -3,-1.3 71,-1.8 -5,-0.2 72,-0.3 0.713 112.2 45.7 -77.6 -21.7 -5.5 -24.0 19.7 13 15 A L H << S+ 0 0 19 -4,-0.9 -2,-0.2 -3,-0.7 -3,-0.1 0.822 119.7 27.8 -87.5 -40.7 -3.5 -24.6 16.5 14 16 A I < - 0 0 6 -4,-2.0 -1,-0.2 2,-0.1 69,-0.1 -0.936 67.9-132.3-130.2 151.3 -1.9 -21.1 15.9 15 17 A P + 0 0 27 0, 0.0 327,-0.1 0, 0.0 -4,-0.1 0.659 65.8 119.6 -80.3 -9.7 -0.9 -18.3 18.2 16 18 A H + 0 0 21 326,-0.1 2,-0.2 4,-0.1 325,-0.2 -0.199 37.4 172.7 -60.8 134.8 -2.6 -15.5 16.2 17 19 A R > - 0 0 36 323,-2.6 3,-3.1 1,-0.1 323,-0.2 -0.781 35.2 -12.4-134.4 177.8 -5.3 -13.5 17.9 18 20 A Y T 3 S+ 0 0 32 1,-0.3 323,-0.1 -2,-0.2 -1,-0.1 -0.266 125.4 14.1 -53.2 133.2 -7.4 -10.4 17.3 19 21 A P T 3 S+ 0 0 18 0, 0.0 -1,-0.3 0, 0.0 28,-0.1 -0.836 130.7 49.0-100.9 28.3 -6.9 -8.5 15.1 20 22 A F S < S+ 0 0 9 -3,-3.1 2,-0.7 317,-0.1 -2,-0.2 0.195 77.6 101.5-118.1 18.1 -4.4 -10.7 13.3 21 23 A L + 0 0 2 -5,-0.1 45,-0.1 1,-0.1 -10,-0.0 -0.918 44.1 175.1 -96.1 112.0 -6.4 -14.0 13.1 22 24 A Q + 0 0 0 -2,-0.7 2,-0.4 43,-0.1 -1,-0.1 -0.024 48.6 81.6-116.3 23.5 -7.7 -14.0 9.5 23 25 A L - 0 0 0 1,-0.1 16,-0.2 46,-0.1 3,-0.1 -1.000 45.2-178.5-125.1 136.2 -9.3 -17.4 9.3 24 26 A D - 0 0 0 14,-3.1 -17,-1.0 -2,-0.4 2,-0.3 0.759 68.9 -1.1 -96.2 -33.0 -12.8 -18.1 10.6 25 27 A R E -AB 6 38A 26 13,-1.4 13,-2.7 -19,-0.2 2,-0.6 -0.953 54.0-134.5-163.6 134.7 -13.2 -21.8 9.8 26 28 A I E +AB 5 37A 0 -21,-2.5 -21,-2.3 -2,-0.3 11,-0.3 -0.871 27.9 170.5 -92.1 123.4 -11.3 -24.8 8.3 27 29 A T E + 0 0 60 9,-2.3 2,-0.3 -2,-0.6 10,-0.2 0.649 58.9 26.4-109.1 -20.1 -13.7 -26.7 6.0 28 30 A A E + B 0 36A 34 8,-1.7 8,-2.1 -23,-0.1 2,-0.3 -0.991 57.8 174.7-146.6 148.8 -11.5 -29.2 4.1 29 31 A F E - B 0 35A 29 -2,-0.3 6,-0.2 6,-0.3 -26,-0.0 -0.850 14.7-178.1-163.0 121.2 -8.2 -31.0 4.7 30 32 A E E >> - B 0 34A 106 4,-2.8 3,-2.6 -2,-0.3 4,-1.2 -0.975 44.7-110.2-115.7 112.6 -6.0 -33.6 3.0 31 33 A P T 34 S- 0 0 73 0, 0.0 44,-0.1 0, 0.0 43,-0.1 -0.058 96.5 -3.6 -46.6 135.0 -2.9 -34.4 5.1 32 34 A M T 34 S+ 0 0 113 42,-0.4 43,-0.1 1,-0.2 42,-0.0 0.505 135.5 57.8 59.6 12.7 0.3 -33.2 3.5 33 35 A K T <4 S- 0 0 126 -3,-2.6 81,-2.7 1,-0.3 2,-0.3 0.669 98.9 -2.9-131.8 -73.4 -1.7 -32.0 0.5 34 36 A T E < -BC 30 113A 55 -4,-1.2 -4,-2.8 79,-0.2 -1,-0.3 -0.895 40.7-172.9-137.0 162.9 -4.6 -29.5 0.6 35 37 A L E -BC 29 112A 1 77,-1.7 77,-2.5 -2,-0.3 2,-0.4 -0.970 9.5-155.9-152.9 141.8 -6.8 -27.3 2.8 36 38 A T E +BC 28 111A 24 -8,-2.1 -9,-2.3 -2,-0.3 -8,-1.7 -0.979 21.6 167.7-116.0 136.7 -9.9 -25.2 2.5 37 39 A A E -BC 26 110A 0 73,-2.2 73,-3.5 -2,-0.4 2,-0.3 -0.959 19.2-142.7-138.9 156.8 -10.6 -22.4 4.9 38 40 A I E -BC 25 109A 10 -13,-2.7 -14,-3.1 -2,-0.3 -13,-1.4 -0.892 8.8-169.6-121.5 157.6 -13.0 -19.4 5.0 39 41 A K E - C 0 108A 0 69,-1.9 69,-2.8 -2,-0.3 2,-0.4 -0.942 19.3-141.3-140.9 118.7 -12.9 -15.8 6.2 40 42 A N E - C 0 107A 0 -2,-0.4 2,-0.6 436,-0.2 67,-0.2 -0.663 13.1-143.1 -78.5 131.2 -16.1 -13.8 6.4 41 43 A V + 0 0 0 65,-2.5 64,-3.1 -2,-0.4 2,-0.3 -0.882 27.4 173.0-100.2 120.8 -15.6 -10.1 5.4 42 44 A S - 0 0 0 -2,-0.6 3,-0.5 62,-0.3 6,-0.2 -0.931 44.6-129.1-126.2 148.7 -17.7 -7.8 7.5 43 45 A I S S+ 0 0 9 -2,-0.3 2,-0.8 1,-0.2 5,-0.1 0.747 103.8 75.8 -63.7 -23.3 -17.9 -4.0 7.8 44 46 A N S S+ 0 0 0 431,-0.2 -1,-0.2 409,-0.1 433,-0.1 -0.149 72.6 110.2 -82.2 40.8 -17.5 -4.6 11.6 45 47 A E S > S- 0 0 0 -2,-0.8 3,-1.7 -3,-0.5 4,-0.3 -0.926 76.4-120.4-118.1 146.2 -13.8 -5.3 11.3 46 48 A P G > S+ 0 0 12 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.770 106.1 63.5 -58.1 -30.4 -11.1 -3.0 12.6 47 49 A Q G >> S+ 0 0 6 1,-0.3 4,-1.1 2,-0.2 3,-1.1 0.783 89.0 70.5 -67.4 -24.2 -9.4 -2.4 9.3 48 50 A F G <4 S+ 0 0 11 -3,-1.7 -1,-0.3 1,-0.2 405,-0.1 0.562 81.5 70.7 -80.4 -0.7 -12.4 -0.8 7.9 49 51 A Q G <4 S+ 0 0 46 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.849 119.3 18.8 -66.5 -33.9 -12.0 2.4 10.0 50 52 A G T <4 S+ 0 0 0 -3,-1.1 257,-2.2 -4,-0.4 -2,-0.2 0.434 104.7 85.9-117.4 -3.2 -9.0 3.3 7.9 51 53 A H S < S- 0 0 12 -4,-1.1 6,-2.1 1,-0.4 -1,-0.2 -0.563 123.3 -21.0-140.8 74.5 -9.2 1.3 4.7 52 54 A F > - 0 0 19 4,-0.4 3,-0.9 -2,-0.2 -1,-0.4 0.618 68.0-140.1-120.9 154.8 -10.9 3.4 3.5 53 55 A P T 3 S+ 0 0 58 0, 0.0 -2,-0.1 0, 0.0 253,-0.0 0.744 104.7 7.3 -33.5 -50.5 -12.9 5.9 5.6 54 56 A D T 3 S+ 0 0 123 1,-0.2 392,-0.1 -4,-0.1 -4,-0.0 0.546 128.7 61.6-110.2 1.5 -16.0 5.9 3.5 55 57 A L S < S- 0 0 79 -3,-0.9 2,-0.3 2,-0.1 -1,-0.2 -0.840 74.3-149.6-129.9 88.9 -15.1 3.0 1.1 56 58 A P + 0 0 9 0, 0.0 2,-0.4 0, 0.0 -4,-0.4 -0.480 25.6 165.9 -68.9 122.7 -14.6 -0.3 2.8 57 59 A V - 0 0 17 -6,-2.1 46,-0.2 -2,-0.3 -2,-0.1 -0.972 38.1-122.0-139.7 120.6 -12.1 -2.4 0.8 58 60 A M - 0 0 6 44,-2.4 44,-0.4 -2,-0.4 2,-0.2 -0.422 37.0-115.0 -62.3 121.7 -10.5 -5.5 2.3 59 61 A P >> - 0 0 1 0, 0.0 4,-1.4 0, 0.0 3,-1.3 -0.402 12.5-137.5 -62.8 132.1 -6.8 -5.0 2.2 60 62 A G H 3> S+ 0 0 17 1,-0.3 4,-3.0 2,-0.2 3,-0.4 0.885 102.3 60.7 -49.5 -43.6 -5.0 -7.4 -0.1 61 63 A V H 3> S+ 0 0 1 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.784 102.4 51.6 -60.9 -28.4 -2.2 -7.9 2.4 62 64 A L H <> S+ 0 0 5 -3,-1.3 4,-1.9 2,-0.2 -1,-0.3 0.827 108.3 51.1 -78.1 -31.4 -4.8 -9.3 4.9 63 65 A I H X S+ 0 0 3 -4,-1.4 4,-2.6 -3,-0.4 -2,-0.2 0.958 110.8 49.6 -64.2 -46.5 -6.0 -11.7 2.3 64 66 A I H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.916 109.3 51.7 -53.1 -46.0 -2.3 -12.6 1.8 65 67 A E H X S+ 0 0 7 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.873 109.1 49.9 -61.3 -40.6 -2.0 -13.1 5.5 66 68 A A H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.940 108.6 52.5 -61.7 -48.4 -5.0 -15.4 5.6 67 69 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.942 111.6 47.5 -51.3 -50.5 -3.6 -17.5 2.7 68 70 A A H X S+ 0 0 11 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.872 110.7 50.7 -59.6 -43.0 -0.4 -17.8 4.7 69 71 A Q H X S+ 0 0 7 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.866 109.9 51.0 -64.4 -36.8 -2.3 -18.8 7.9 70 72 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.956 110.8 48.0 -64.4 -50.2 -4.1 -21.4 5.9 71 73 A C H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.948 112.1 50.5 -50.4 -53.6 -0.9 -22.8 4.5 72 74 A G H X S+ 0 0 9 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.831 110.1 48.4 -55.9 -37.8 0.6 -22.9 8.0 73 75 A T H X S+ 0 0 0 -4,-1.8 4,-3.4 2,-0.2 5,-0.3 0.914 107.0 55.7 -76.4 -40.0 -2.4 -24.7 9.5 74 76 A L H X S+ 0 0 1 -4,-2.6 4,-1.7 2,-0.2 -42,-0.4 0.928 112.2 45.1 -46.2 -49.7 -2.3 -27.3 6.7 75 77 A A H X S+ 0 0 15 -4,-2.2 4,-1.1 -5,-0.2 -2,-0.2 0.949 114.3 47.4 -62.9 -49.6 1.3 -27.9 7.8 76 78 A I H ><>S+ 0 0 11 -4,-2.4 5,-2.5 1,-0.2 3,-0.7 0.918 112.2 48.3 -61.2 -47.6 0.5 -28.0 11.5 77 79 A L H ><5S+ 0 0 19 -4,-3.4 3,-1.6 1,-0.2 -1,-0.2 0.860 104.8 62.4 -60.3 -37.5 -2.4 -30.3 11.1 78 80 A S H 3<5S+ 0 0 23 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.770 110.5 36.6 -64.2 -30.2 -0.3 -32.6 8.9 79 81 A E T <<5S- 0 0 101 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.083 113.3-116.5-105.9 24.6 2.3 -33.3 11.7 80 82 A G T < 5 + 0 0 47 -3,-1.6 -3,-0.2 -5,-0.1 -2,-0.1 0.749 64.6 155.6 48.9 31.2 -0.5 -33.3 14.3 81 83 A G < - 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