==== 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 01-JUL-12 4B0C . COMPND 2 MOLECULE: 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRAT . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR L.MOYNIE,S.A.MCMAHON,F.G.DUTHIE,J.H.NAISMITH . 842 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32814.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 572 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 280 33.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 22 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.4 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 5 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 . 5 4 5 0 10 0 5 0 0 7 3 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 1 0 0 0 0 0 0 0 0 2 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 2 A T 0 0 191 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -0.9 35.0 -25.8 -9.9 2 3 A K - 0 0 77 2,-0.0 2,-0.3 94,-0.0 94,-0.0 -0.840 360.0-149.5-124.0 128.0 33.3 -26.5 -6.6 3 4 A Q - 0 0 88 -2,-0.4 3,-0.1 1,-0.1 0, 0.0 -0.671 12.2-165.0 -84.9 137.3 33.6 -28.7 -3.5 4 5 A H + 0 0 84 -2,-0.3 37,-1.1 1,-0.2 2,-0.3 0.359 66.5 36.7-111.5 3.7 30.3 -29.5 -1.9 5 6 A A - 0 0 50 35,-0.2 2,-0.3 2,-0.0 34,-0.2 -0.980 63.1-161.5-154.8 150.3 31.3 -30.8 1.5 6 7 A F B -A 38 0A 11 32,-2.4 32,-1.6 -2,-0.3 2,-0.2 -0.979 9.3-141.1-138.4 142.3 34.0 -29.9 4.0 7 8 A T >> - 0 0 77 -2,-0.3 4,-2.3 30,-0.2 3,-0.7 -0.520 40.1 -96.7 -95.7 171.0 35.7 -31.7 7.0 8 9 A R H 3> S+ 0 0 94 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.857 127.0 52.1 -54.6 -36.4 36.8 -30.1 10.3 9 10 A E H 3> S+ 0 0 120 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.798 104.8 54.0 -74.1 -29.7 40.3 -29.8 8.9 10 11 A D H <> S+ 0 0 32 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.927 111.8 47.4 -65.0 -41.2 39.0 -28.0 5.7 11 12 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 16,-0.3 0.890 109.6 50.5 -68.1 -41.2 37.3 -25.6 8.1 12 13 A L H X S+ 0 0 31 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.849 109.2 53.5 -63.3 -32.8 40.4 -25.1 10.2 13 14 A R H >X>S+ 0 0 86 -4,-1.6 5,-2.3 1,-0.2 3,-0.7 0.942 108.3 49.3 -65.7 -45.1 42.3 -24.4 7.0 14 15 A C H ><5S+ 0 0 1 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.866 105.1 58.5 -57.4 -38.4 39.7 -21.8 6.2 15 16 A S H 3<5S+ 0 0 2 -4,-2.1 226,-0.5 1,-0.3 -1,-0.2 0.792 104.2 50.9 -65.7 -28.1 40.3 -20.4 9.7 16 17 A R H <<5S- 0 0 113 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.560 120.5-111.9 -81.0 -10.8 43.9 -19.9 8.8 17 18 A G T <<5S+ 0 0 13 -3,-1.2 4,-0.3 -4,-0.5 -3,-0.2 0.696 88.2 115.5 85.4 23.0 42.9 -18.1 5.6 18 19 A E < + 0 0 114 -5,-2.3 -4,-0.2 -6,-0.1 -5,-0.1 0.441 64.0 58.1-107.2 -3.7 44.2 -20.9 3.5 19 20 A L S S+ 0 0 40 -6,-0.4 -5,-0.1 6,-0.2 -1,-0.1 0.901 123.1 17.7 -87.7 -52.5 41.0 -22.1 1.9 20 21 A F S S- 0 0 37 5,-0.4 5,-0.1 1,-0.2 -2,-0.1 0.433 113.2-113.8-102.7 -0.6 39.8 -18.9 0.2 21 22 A G > - 0 0 20 -4,-0.3 3,-1.4 3,-0.1 -1,-0.2 -0.093 47.9 -38.2 93.2 170.6 43.1 -17.0 0.2 22 23 A P T 3 S+ 0 0 126 0, 0.0 3,-0.1 0, 0.0 78,-0.1 -0.488 125.5 16.8 -77.2 133.4 44.4 -13.8 2.0 23 24 A G T 3 S+ 0 0 35 1,-0.4 77,-0.5 -2,-0.2 2,-0.2 0.423 108.5 100.8 85.7 1.6 41.9 -10.9 2.3 24 25 A N S < S- 0 0 41 -3,-1.4 -1,-0.4 1,-0.2 78,-0.2 -0.454 85.1 -48.1-108.5-177.8 39.0 -13.2 1.6 25 26 A A - 0 0 4 73,-0.4 -5,-0.4 75,-0.2 2,-0.4 -0.178 54.4-175.6 -55.9 137.1 36.4 -14.9 4.0 26 27 A Q - 0 0 37 -3,-0.1 -11,-0.2 -7,-0.1 76,-0.2 -1.000 21.3-136.9-129.5 138.1 37.7 -16.8 7.0 27 28 A L - 0 0 4 -2,-0.4 213,-0.1 -16,-0.3 -10,-0.1 -0.548 38.8-105.2 -70.6 154.4 35.8 -18.8 9.6 28 29 A P - 0 0 2 0, 0.0 211,-0.2 0, 0.0 -13,-0.1 -0.439 33.5-122.5 -76.2 160.1 37.0 -18.1 13.1 29 30 A A >> - 0 0 9 209,-2.8 3,-1.9 -14,-0.2 4,-1.1 -0.432 53.2 -31.7 -87.7 171.8 39.1 -20.6 14.9 30 31 A P T 34 S+ 0 0 56 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.386 122.6 30.5 -53.6 142.8 38.4 -22.3 18.2 31 32 A N T 34 S+ 0 0 75 2,-0.1 204,-0.1 -3,-0.1 208,-0.0 -0.975 129.4 40.3 -95.3 10.7 36.9 -21.4 20.6 32 33 A M T <4 S+ 0 0 0 -3,-1.9 2,-0.3 203,-0.1 -3,-0.1 0.715 87.8 103.2 -85.2 -24.3 34.6 -19.2 18.4 33 34 A L < - 0 0 13 -4,-1.1 -2,-0.1 1,-0.1 51,-0.1 -0.475 46.6-176.9 -61.1 118.0 34.2 -21.7 15.5 34 35 A M + 0 0 3 -2,-0.3 2,-0.4 49,-0.1 -1,-0.1 0.187 55.0 80.3-106.9 20.2 30.8 -23.3 15.9 35 36 A I - 0 0 0 1,-0.1 22,-0.2 -27,-0.1 3,-0.1 -0.989 43.7-179.0-129.1 131.3 31.0 -25.8 13.0 36 37 A D S S- 0 0 21 20,-2.9 2,-0.3 -2,-0.4 -25,-0.2 0.775 77.3 -7.3 -92.0 -36.4 32.7 -29.2 13.0 37 38 A R E - B 0 56A 70 19,-1.7 19,-2.7 -30,-0.1 2,-0.7 -0.987 55.8-129.6-157.7 151.8 31.8 -30.0 9.3 38 39 A I E -AB 6 55A 1 -32,-1.6 -32,-2.4 -2,-0.3 17,-0.3 -0.925 22.6-173.5-102.8 107.9 29.8 -28.7 6.4 39 40 A V E + 0 0 67 15,-1.1 2,-0.3 -2,-0.7 16,-0.2 0.807 67.7 3.1 -74.0 -29.6 27.8 -31.7 5.2 40 41 A H E + B 0 54A 37 14,-1.9 14,-2.4 -35,-0.1 2,-0.3 -0.977 58.0 169.7-158.8 139.3 26.4 -30.0 2.1 41 42 A I E + B 0 53A 0 -37,-1.1 2,-0.3 -2,-0.3 12,-0.2 -0.929 12.9 152.5-152.3 126.6 26.7 -26.6 0.3 42 43 A S E - B 0 52A 10 10,-1.8 10,-1.8 -2,-0.3 -2,-0.0 -0.961 43.3-132.9-144.6 166.7 25.4 -25.6 -3.2 43 44 A D S S+ 0 0 62 -2,-0.3 2,-0.3 8,-0.2 10,-0.0 0.282 90.0 62.4-104.2 8.9 24.3 -22.5 -4.9 44 45 A V S S+ 0 0 95 6,-0.2 6,-0.2 8,-0.1 8,-0.2 -0.839 92.5 20.5-124.3 166.6 21.1 -24.1 -6.4 45 46 A G B +q 50 0B 37 4,-0.5 6,-2.7 -2,-0.3 3,-0.2 -0.363 64.9 122.0 69.5-155.7 18.1 -25.5 -4.6 46 47 A G S > S- 0 0 5 746,-0.6 3,-0.7 3,-0.2 6,-0.1 -0.197 87.4 -55.2 79.6 174.3 17.3 -24.6 -1.0 47 48 A K T 3 S+ 0 0 41 1,-0.2 -1,-0.2 4,-0.2 5,-0.1 0.815 142.0 30.5 -49.5 -38.9 14.0 -23.1 0.2 48 49 A Y T 3 S- 0 0 62 81,-0.4 -1,-0.2 3,-0.4 -2,-0.2 0.348 108.9-112.1-112.0 1.4 14.3 -20.2 -2.3 49 50 A G S < S+ 0 0 41 -3,-0.7 -4,-0.5 -4,-0.2 -3,-0.2 0.522 94.3 99.3 80.1 7.4 16.2 -21.8 -5.1 50 51 A K B S-q 45 0B 116 79,-0.7 -4,-0.2 1,-0.4 -6,-0.2 0.111 93.1 -71.4-114.7 19.7 19.4 -19.7 -4.5 51 52 A G - 0 0 0 -6,-2.7 78,-1.5 78,-0.1 -1,-0.4 -0.346 42.0-135.4 113.1 170.0 21.4 -22.3 -2.5 52 53 A E E -BC 42 128A 2 -10,-1.8 -10,-1.8 76,-0.2 2,-0.4 -0.982 2.0-154.7-157.9 146.9 21.6 -24.1 0.8 53 54 A L E -BC 41 127A 0 74,-2.0 74,-2.6 -2,-0.3 2,-0.4 -0.995 4.5-171.6-126.9 142.5 24.1 -25.1 3.6 54 55 A V E +BC 40 126A 4 -14,-2.4 -14,-1.9 -2,-0.4 -15,-1.1 -0.999 19.6 169.3-122.6 128.8 23.8 -28.0 6.0 55 56 A A E -BC 38 125A 0 70,-2.1 70,-2.7 -2,-0.4 2,-0.3 -0.923 17.5-148.0-138.8 158.4 26.4 -28.1 8.8 56 57 A E E -BC 37 124A 18 -19,-2.7 -20,-2.9 -2,-0.3 -19,-1.7 -0.934 8.6-166.3-130.8 152.4 27.0 -30.0 12.0 57 58 A L E - C 0 123A 11 66,-2.7 66,-3.2 -2,-0.3 2,-0.2 -0.976 22.8-136.6-132.5 122.1 28.6 -29.5 15.4 58 59 A D E - C 0 122A 60 -2,-0.4 2,-0.3 64,-0.2 64,-0.2 -0.602 21.8-149.8 -76.1 139.0 29.3 -32.5 17.7 59 60 A I + 0 0 9 62,-2.6 58,-0.0 -2,-0.2 -1,-0.0 -0.861 24.6 158.3-110.2 144.6 28.3 -32.0 21.4 60 61 A N > - 0 0 72 -2,-0.3 3,-1.9 62,-0.0 59,-0.1 -0.953 51.6-104.0-155.0 160.7 29.8 -33.4 24.5 61 62 A P T 3 S+ 0 0 84 0, 0.0 58,-0.1 0, 0.0 5,-0.1 0.705 112.4 65.0 -60.5 -20.9 29.7 -32.2 28.2 62 63 A D T 3 + 0 0 146 56,-0.1 5,-0.1 4,-0.1 2,-0.0 0.404 66.2 128.1 -89.7 3.0 33.3 -31.0 28.1 63 64 A L X> - 0 0 43 -3,-1.9 3,-1.5 1,-0.1 4,-0.6 -0.391 69.1-121.1 -57.7 134.9 32.7 -28.2 25.6 64 65 A W H >> S+ 0 0 58 1,-0.3 3,-0.9 2,-0.2 4,-0.7 0.814 104.9 58.8 -54.9 -40.7 34.1 -25.1 27.1 65 66 A F H 3> S+ 0 0 4 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.732 94.2 66.3 -67.0 -22.9 30.9 -23.0 27.2 66 67 A F H <4 S+ 0 0 7 -3,-1.5 -1,-0.2 1,-0.2 7,-0.2 0.839 97.4 54.0 -67.9 -33.9 29.0 -25.5 29.3 67 68 A A H << S+ 0 0 79 -3,-0.9 -1,-0.2 -4,-0.6 3,-0.2 0.822 117.7 33.3 -70.7 -33.8 31.2 -25.0 32.4 68 69 A C H < S+ 0 0 10 -4,-0.7 131,-3.0 1,-0.2 3,-0.4 0.452 104.6 78.8-101.4 -0.1 30.7 -21.1 32.5 69 70 A H S < S- 0 0 18 -4,-0.8 6,-2.3 1,-0.4 -1,-0.2 -0.726 116.8 -10.3-150.9 82.8 27.1 -21.0 31.2 70 71 A F > - 0 0 20 4,-0.4 3,-2.1 -2,-0.2 -1,-0.4 0.691 66.0-139.6-119.4 163.7 25.9 -21.7 33.7 71 72 A E T 3 S+ 0 0 82 114,-0.5 -4,-0.1 -3,-0.4 -3,-0.1 -0.532 103.8 6.6 -63.1 118.5 27.4 -23.0 36.9 72 73 A G T 3 S+ 0 0 79 -2,-0.4 -1,-0.3 -5,-0.1 -5,-0.1 0.424 134.4 55.7 87.7 2.8 24.9 -25.7 38.0 73 74 A D S < S- 0 0 19 -3,-2.1 -2,-0.1 -7,-0.2 2,-0.1 -0.388 73.7-166.9-165.6 65.7 22.8 -25.4 34.8 74 75 A P + 0 0 46 0, 0.0 -4,-0.4 0, 0.0 2,-0.3 -0.361 19.8 151.8 -67.4 142.5 24.9 -26.0 31.7 75 76 A V - 0 0 4 -6,-2.3 42,-0.2 -10,-0.2 3,-0.1 -0.865 48.5-102.4-167.6 135.1 23.3 -25.0 28.4 76 77 A M - 0 0 5 40,-2.4 40,-0.4 -2,-0.3 2,-0.2 -0.374 46.0-108.6 -61.1 135.3 24.8 -23.9 25.1 77 78 A P >> - 0 0 0 0, 0.0 4,-1.2 0, 0.0 3,-0.6 -0.439 15.6-138.5 -69.2 136.4 24.5 -20.1 24.6 78 79 A G H 3> S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 3,-0.3 0.888 101.9 62.5 -61.5 -38.7 21.9 -19.1 21.9 79 80 A C H 3> S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.851 100.2 54.9 -56.7 -35.3 24.2 -16.4 20.6 80 81 A L H <> S+ 0 0 0 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.905 109.2 45.0 -66.0 -41.1 26.7 -19.1 19.7 81 82 A G H X S+ 0 0 0 -4,-1.2 4,-1.2 -3,-0.3 -2,-0.2 0.891 113.9 51.6 -68.1 -35.1 24.2 -21.0 17.6 82 83 A L H >X S+ 0 0 1 -4,-2.8 4,-1.5 1,-0.2 3,-0.9 0.957 108.3 51.2 -61.2 -45.0 23.2 -17.7 16.1 83 84 A D H 3X S+ 0 0 10 -4,-2.9 4,-3.1 1,-0.3 -2,-0.2 0.825 100.9 61.8 -67.9 -32.5 26.8 -17.0 15.3 84 85 A A H 3X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.3 0.863 102.1 53.3 -55.6 -38.1 27.2 -20.3 13.5 85 86 A M H S+ 0 0 0 -4,-2.0 5,-1.4 1,-0.2 4,-0.2 0.914 113.6 43.7 -59.5 -44.1 30.0 -15.8 0.1 94 95 A G H ><5S+ 0 0 5 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.866 109.7 57.3 -67.9 -38.2 33.7 -16.7 0.0 95 96 A W H 3<5S+ 0 0 18 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.777 97.5 61.9 -63.9 -28.9 32.9 -20.1 -1.4 96 97 A Q T 3<5S- 0 0 56 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.600 122.5-107.7 -72.8 -10.4 31.2 -18.3 -4.3 97 98 A G T < 5 + 0 0 63 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.476 69.2 146.4 99.2 5.4 34.6 -16.7 -5.1 98 99 A N < - 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