==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-AUG-09 3IL5 . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR K.S.GAJIWALA,S MARGOSIAK,J.LU,J.CORTEZ,Y.SU,Z.NIE,K.APPELT . 1279 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43103.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 926 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 85 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 198 15.5 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 87 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 125 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 337 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 2.0 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 5 0 1 2 8 1 1 3 4 1 3 0 4 2 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 1 0 4 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 . 4 4 6 0 0 0 4 6 6 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 . 8 0 0 4 0 0 0 0 2 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 6 A K 0 0 139 0, 0.0 169,-0.2 0, 0.0 170,-0.1 0.000 360.0 360.0 360.0 69.9 -169.0 186.3 43.0 2 7 A N + 0 0 52 167,-0.2 2,-0.6 168,-0.2 127,-0.2 0.022 360.0 116.0-135.1 24.0 -172.3 184.9 41.6 3 8 A Y E -A 169 0A 86 166,-1.9 166,-2.1 126,-0.0 168,-0.1 -0.883 59.3-131.2-103.7 124.5 -171.4 181.4 40.5 4 9 A A E +A 168 0A 2 -2,-0.6 169,-0.7 164,-0.2 170,-0.6 -0.368 29.5 175.3 -65.1 146.2 -173.0 178.4 42.2 5 10 A R E -A 167 0A 67 162,-1.4 162,-2.1 168,-0.1 2,-0.6 -0.976 37.4-109.5-147.4 150.7 -170.7 175.6 43.3 6 11 A I E +A 166 0A 13 -2,-0.3 160,-0.2 160,-0.2 291,-0.2 -0.709 39.0 170.5 -78.9 117.2 -171.4 172.4 45.2 7 12 A S E + 0 0 20 158,-2.5 2,-0.3 -2,-0.6 -1,-0.2 0.606 60.4 10.8-106.5 -16.0 -169.8 172.9 48.6 8 13 A C E -A 165 0A 6 157,-1.1 157,-2.2 2,-0.0 2,-0.3 -0.984 58.5-161.2-161.8 151.5 -171.0 169.9 50.6 9 14 A T E +A 164 0A 0 -2,-0.3 2,-0.3 155,-0.2 155,-0.2 -0.960 13.9 160.5-136.6 154.0 -172.9 166.6 50.1 10 15 A S E -A 163 0A 11 153,-1.8 153,-2.0 -2,-0.3 2,-0.3 -0.980 13.7-159.8-165.6 163.2 -174.8 164.2 52.2 11 16 A R E -A 162 0A 52 -2,-0.3 2,-0.3 151,-0.3 151,-0.3 -0.967 1.6-166.7-148.7 158.9 -177.3 161.3 52.0 12 17 A Y E +A 161 0A 38 149,-3.2 149,-2.7 -2,-0.3 46,-0.1 -0.946 5.8 177.6-154.1 128.9 -179.8 159.4 54.2 13 18 A V - 0 0 18 -2,-0.3 147,-0.1 147,-0.2 32,-0.1 -0.966 40.5 -92.4-131.1 150.2 -181.7 156.2 53.8 14 19 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 32,-0.1 -0.016 30.0-126.0 -55.5 165.8 -184.1 154.5 56.2 15 20 A E S S+ 0 0 161 29,-0.1 31,-0.1 2,-0.0 -2,-0.0 0.917 83.3 96.0 -81.2 -44.5 -182.6 151.9 58.5 16 21 A N - 0 0 54 29,-0.1 29,-1.5 28,-0.1 2,-0.5 -0.194 62.6-161.9 -46.3 127.2 -185.0 149.1 57.5 17 22 A C E -J 44 0B 37 27,-0.2 2,-0.6 25,-0.0 27,-0.2 -0.966 10.1-162.2-128.1 119.6 -183.3 147.0 54.9 18 23 A V E -J 43 0B 0 25,-2.1 25,-1.5 -2,-0.5 2,-0.2 -0.870 10.8-159.4-104.7 114.6 -185.1 144.6 52.5 19 24 A T E >> -J 42 0B 41 -2,-0.6 4,-2.0 23,-0.2 3,-1.2 -0.534 32.1-113.1 -89.3 157.2 -182.9 142.0 50.8 20 25 A N H 3> S+ 0 0 10 21,-2.2 4,-3.4 1,-0.3 5,-0.3 0.951 119.4 64.3 -49.8 -47.0 -183.8 140.1 47.6 21 26 A H H 3> S+ 0 0 104 20,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.858 106.5 43.8 -44.7 -39.9 -184.0 137.1 49.8 22 27 A Q H <> S+ 0 0 78 -3,-1.2 4,-2.8 2,-0.2 3,-0.5 0.950 113.0 46.6 -74.8 -52.3 -186.8 138.7 51.7 23 28 A L H X S+ 0 0 0 -4,-2.0 4,-4.7 1,-0.2 5,-0.3 0.884 109.6 58.0 -54.8 -39.1 -188.8 140.0 48.7 24 29 A S H X>S+ 0 0 7 -4,-3.4 5,-2.8 -5,-0.3 4,-0.5 0.844 109.6 42.0 -68.1 -31.7 -188.4 136.7 47.1 25 30 A E H <5S+ 0 0 151 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.905 119.7 47.2 -73.1 -40.2 -190.1 134.9 50.0 26 31 A M H <5S+ 0 0 76 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.933 120.3 34.8 -63.7 -49.0 -192.6 137.8 50.1 27 32 A M H <5S- 0 0 5 -4,-4.7 -1,-0.2 -5,-0.2 124,-0.2 0.434 111.4-115.7 -93.8 -0.2 -193.4 137.8 46.4 28 33 A D T <5S+ 0 0 56 -4,-0.5 644,-0.4 -5,-0.3 2,-0.3 0.985 76.0 101.6 63.9 60.5 -193.0 134.1 46.0 29 34 A T < - 0 0 18 -5,-2.8 -1,-0.2 642,-0.2 642,-0.2 -0.896 69.9 -75.3-153.6-171.8 -190.0 133.9 43.6 30 35 A S > - 0 0 29 640,-0.6 4,-1.5 -2,-0.3 5,-0.1 -0.437 26.9-123.2 -93.9 162.8 -186.3 133.3 43.7 31 36 A D H > S+ 0 0 78 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.917 114.4 47.9 -61.9 -45.6 -183.3 135.3 44.8 32 37 A E H > S+ 0 0 139 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.851 103.7 59.2 -71.3 -38.1 -181.7 135.0 41.4 33 38 A W H > S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.985 110.7 43.1 -50.3 -61.0 -184.9 136.0 39.5 34 39 A I H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 6,-0.4 0.895 117.4 46.7 -49.3 -47.7 -185.0 139.3 41.3 35 40 A H H X S+ 0 0 83 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.882 109.1 51.8 -69.5 -39.8 -181.2 139.9 40.9 36 41 A S H < S+ 0 0 57 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.915 114.5 43.6 -64.4 -41.2 -180.9 139.0 37.3 37 42 A R H < S+ 0 0 106 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.899 127.9 25.1 -72.4 -40.5 -183.7 141.4 36.3 38 43 A T H < S- 0 0 2 -4,-2.0 211,-0.4 -5,-0.2 -3,-0.2 0.816 84.6-134.2 -99.0 -37.2 -182.7 144.3 38.4 39 44 A G < + 0 0 21 -4,-2.5 2,-0.3 -5,-0.3 -4,-0.1 0.597 68.9 125.7 82.8 13.0 -178.9 144.0 39.0 40 45 A I - 0 0 5 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 -0.828 42.5-179.2-111.2 143.3 -179.9 144.8 42.6 41 46 A S S S- 0 0 37 230,-2.3 -21,-2.2 1,-0.4 2,-0.3 0.793 71.4 -8.4-104.9 -46.5 -179.1 142.9 45.9 42 47 A E E -J 19 0B 45 229,-2.5 -1,-0.4 -23,-0.2 2,-0.3 -0.958 56.5-172.4-145.9 167.5 -180.8 145.0 48.6 43 48 A R E -J 18 0B 0 -25,-1.5 -25,-2.1 -2,-0.3 2,-0.3 -0.980 28.4-104.4-157.8 159.1 -182.5 148.4 49.0 44 49 A R E -J 17 0B 70 229,-0.4 115,-3.3 115,-0.4 2,-0.4 -0.653 28.9-170.3 -92.8 143.1 -183.9 150.5 51.9 45 50 A I - 0 0 0 -29,-1.5 -29,-0.1 -2,-0.3 96,-0.1 -0.992 22.3-121.2-134.8 128.3 -187.6 150.9 52.6 46 51 A V + 0 0 0 -2,-0.4 475,-0.1 1,-0.1 4,-0.0 -0.224 25.9 175.7 -63.2 153.1 -189.2 153.3 55.1 47 52 A T S S+ 0 0 22 475,-0.1 476,-2.7 476,-0.1 477,-0.5 0.487 85.2 0.5-129.9 -20.2 -191.3 152.1 58.0 48 53 A Q S S+ 0 0 123 474,-0.2 2,-0.4 475,-0.1 -2,-0.1 0.352 110.1 89.9-146.3 -5.2 -192.1 155.3 59.8 49 54 A E - 0 0 37 4,-0.0 2,-0.2 475,-0.0 -3,-0.1 -0.781 53.4-157.5-102.4 144.8 -190.5 158.1 57.8 50 55 A N >> - 0 0 5 -2,-0.4 4,-1.8 -3,-0.0 3,-1.0 -0.573 44.1 -88.7-103.3 176.6 -192.0 160.1 55.0 51 56 A T H 3> S+ 0 0 0 31,-0.4 4,-2.5 1,-0.3 5,-0.3 0.895 126.7 60.1 -51.6 -43.0 -190.1 161.9 52.3 52 57 A S H 3> S+ 0 0 13 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.837 105.9 47.6 -55.9 -35.6 -190.1 165.0 54.5 53 58 A D H <> S+ 0 0 60 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.924 109.9 50.3 -72.8 -44.1 -188.2 163.1 57.2 54 59 A L H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.870 115.2 44.6 -62.4 -36.3 -185.6 161.7 54.8 55 60 A C H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.893 107.6 59.7 -73.1 -39.6 -185.0 165.1 53.4 56 61 A H H X S+ 0 0 41 -4,-2.1 4,-3.2 -5,-0.3 5,-0.2 0.949 105.3 48.3 -49.4 -55.7 -184.9 166.6 56.9 57 62 A Q H X S+ 0 0 50 -4,-2.5 4,-3.3 1,-0.2 5,-0.3 0.943 110.3 52.5 -52.4 -51.8 -182.0 164.3 57.8 58 63 A V H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.916 112.8 43.0 -48.7 -52.0 -180.2 165.4 54.6 59 64 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.965 113.8 52.2 -62.6 -51.9 -180.6 169.1 55.4 60 65 A K H X S+ 0 0 77 -4,-3.2 4,-2.3 -5,-0.2 -2,-0.2 0.903 112.4 45.6 -46.2 -49.8 -179.7 168.5 59.0 61 66 A Q H X S+ 0 0 50 -4,-3.3 4,-3.3 -5,-0.2 5,-0.3 0.893 109.6 53.2 -68.9 -40.3 -176.5 166.7 58.0 62 67 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.3 6,-0.4 0.870 110.6 50.0 -59.9 -37.8 -175.5 169.2 55.4 63 68 A L H X>S+ 0 0 21 -4,-2.5 5,-0.9 -5,-0.2 4,-0.7 0.941 115.2 41.5 -63.9 -49.8 -175.8 171.9 58.1 64 69 A E H <5S+ 0 0 124 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.903 117.2 46.9 -65.9 -43.9 -173.7 169.9 60.6 65 70 A K H <5S+ 0 0 123 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.897 118.5 40.0 -67.0 -40.9 -171.0 168.8 58.0 66 71 A S H <5S- 0 0 39 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.544 102.1-132.8 -85.0 -9.2 -170.6 172.3 56.5 67 72 A G T <5 + 0 0 60 -4,-0.7 2,-0.2 1,-0.2 -3,-0.2 0.738 56.1 148.0 60.5 20.8 -170.8 173.9 59.9 68 73 A K < - 0 0 43 -5,-0.9 2,-0.4 -6,-0.4 -1,-0.2 -0.578 49.1-122.1 -82.3 148.7 -173.3 176.4 58.3 69 74 A Q >> - 0 0 128 -2,-0.2 3,-3.4 1,-0.1 4,-0.5 -0.791 16.4-127.7 -90.3 135.4 -176.1 177.9 60.4 70 75 A A G >4 S+ 0 0 17 -2,-0.4 3,-1.5 1,-0.3 32,-0.3 0.822 109.4 66.5 -48.9 -35.4 -179.7 177.3 59.1 71 76 A S G 34 S+ 0 0 67 1,-0.3 -1,-0.3 29,-0.1 29,-0.1 0.611 93.8 61.6 -62.9 -13.0 -180.2 181.0 59.3 72 77 A E G <4 S+ 0 0 82 -3,-3.4 -1,-0.3 31,-0.0 61,-0.2 0.714 79.8 101.5 -86.7 -22.3 -177.7 181.3 56.5 73 78 A I << - 0 0 0 -3,-1.5 61,-0.2 -4,-0.5 29,-0.2 -0.399 47.0-175.0 -64.5 135.4 -179.7 179.3 54.0 74 79 A D + 0 0 36 59,-3.0 30,-2.2 1,-0.3 2,-0.3 0.725 65.9 8.4-102.2 -32.2 -181.5 181.4 51.4 75 80 A F E -bc 104 134A 0 58,-1.0 60,-2.5 28,-0.3 2,-0.4 -0.998 54.1-154.3-152.1 150.7 -183.5 178.8 49.6 76 81 A I E -bc 105 135A 0 28,-2.1 30,-1.9 -2,-0.3 2,-0.5 -0.967 12.3-171.3-130.0 116.5 -184.4 175.1 49.8 77 82 A L E -bc 106 136A 0 58,-2.8 60,-2.4 -2,-0.4 2,-0.5 -0.921 3.2-165.5-107.8 126.5 -185.3 173.1 46.7 78 83 A V E -bc 107 137A 0 28,-2.0 30,-2.8 -2,-0.5 2,-0.8 -0.954 8.6-156.1-113.3 119.5 -186.7 169.6 46.9 79 84 A A E +bc 108 138A 0 58,-2.3 60,-1.8 -2,-0.5 2,-0.3 -0.825 41.2 135.8 -86.2 108.9 -186.8 167.3 43.9 80 85 A T - 0 0 6 28,-1.6 60,-0.1 -2,-0.8 31,-0.1 -0.983 43.5-173.3-157.9 149.5 -189.5 164.8 44.7 81 86 A V S S+ 0 0 3 -2,-0.3 59,-0.1 58,-0.2 326,-0.1 0.289 89.9 58.8-121.3 0.5 -192.5 163.1 43.1 82 87 A T S S+ 0 0 1 57,-0.4 -31,-0.4 325,-0.1 59,-0.3 -0.461 73.8 167.4-127.9 63.7 -193.6 161.4 46.3 83 88 A P - 0 0 10 0, 0.0 432,-0.3 0, 0.0 3,-0.1 -0.237 46.7-119.3 -70.5 160.8 -194.3 164.3 48.8 84 89 A D S S- 0 0 6 1,-0.2 431,-1.4 430,-0.1 2,-0.3 0.990 98.3 -3.2 -55.9 -63.2 -196.0 164.1 52.1 85 90 A F - 0 0 9 3,-0.6 428,-0.2 429,-0.2 5,-0.2 -0.805 63.3-126.1-120.6 165.8 -198.7 166.5 50.9 86 91 A N S S+ 0 0 22 426,-1.9 346,-0.3 1,-0.4 427,-0.2 0.791 102.6 59.5 -72.8 -31.4 -199.1 168.5 47.7 87 92 A M B S+K 512 0C 2 425,-1.9 425,-2.4 1,-0.2 -1,-0.4 -0.979 99.2 33.4-145.4 126.9 -199.3 171.4 50.2 88 93 A P S S- 0 0 1 0, 0.0 -3,-0.6 0, 0.0 -1,-0.2 0.613 96.5-126.1 -69.9 160.9 -197.2 172.1 52.1 89 94 A S > - 0 0 4 341,-0.2 4,-1.9 -2,-0.1 3,-0.2 -0.334 15.6-119.4 -64.6 155.5 -194.2 171.2 50.0 90 95 A V H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.878 116.5 64.9 -57.9 -37.6 -191.7 168.8 51.5 91 96 A A H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.884 103.6 43.5 -52.6 -44.5 -189.3 171.7 50.9 92 97 A C H > S+ 0 0 0 2,-0.2 4,-2.2 -3,-0.2 412,-0.3 0.923 109.9 55.1 -70.0 -43.4 -191.2 173.8 53.4 93 98 A Q H X S+ 0 0 15 -4,-1.9 4,-2.3 1,-0.3 3,-0.2 0.928 110.8 46.0 -56.4 -44.9 -191.6 171.1 56.0 94 99 A V H X S+ 0 0 1 -4,-2.8 4,-1.7 1,-0.2 -1,-0.3 0.929 108.4 57.2 -60.2 -42.8 -187.8 170.7 55.9 95 100 A Q H <>S+ 0 0 2 -4,-1.8 5,-1.2 -5,-0.2 -1,-0.2 0.805 109.5 45.7 -63.8 -31.1 -187.4 174.4 56.2 96 101 A G H ><5S+ 0 0 9 -4,-2.2 3,-1.8 408,-0.2 -1,-0.2 0.937 109.0 53.7 -71.1 -47.5 -189.4 174.4 59.4 97 102 A A H 3<5S+ 0 0 57 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.703 114.4 40.7 -67.9 -21.4 -187.7 171.4 61.0 98 103 A I T 3<5S- 0 0 21 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.260 106.3-123.2-108.6 11.6 -184.2 173.0 60.5 99 104 A G T < 5 + 0 0 26 -3,-1.8 2,-2.6 1,-0.2 -3,-0.2 0.792 50.0 161.2 52.3 31.1 -185.2 176.5 61.5 100 105 A A > < + 0 0 0 -5,-1.2 3,-1.6 -6,-0.2 -1,-0.2 -0.495 10.7 165.9 -74.3 70.2 -184.0 177.9 58.2 101 106 A T T 3 + 0 0 72 -2,-2.6 401,-0.3 1,-0.3 -1,-0.2 0.602 65.9 53.3 -69.3 -13.0 -186.2 180.9 59.0 102 107 A E T 3 S+ 0 0 127 -32,-0.3 2,-0.4 -29,-0.2 -1,-0.3 0.405 93.6 88.8-101.9 1.2 -184.6 183.1 56.4 103 108 A A < - 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