==== 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 3IL6 . 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 . 320 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14208.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 13.8 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 25 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 1 2 0 0 2 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 1 2 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 1 1 0 0 0 2 1 1 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 . 2 0 0 2 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 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 0 167 0, 0.0 169,-0.2 0, 0.0 167,-0.1 0.000 360.0 360.0 360.0 95.3 -133.3 169.5 112.5 2 7 A N + 0 0 58 167,-0.5 2,-0.7 168,-0.1 127,-0.1 0.111 360.0 113.1-136.7 18.1 -135.6 168.2 109.7 3 8 A Y E -A 169 0A 85 166,-1.7 166,-4.1 169,-0.1 168,-0.1 -0.860 64.8-129.7-101.0 115.2 -133.4 165.6 108.1 4 9 A A E -A 168 0A 2 -2,-0.7 170,-0.5 119,-0.3 169,-0.4 -0.249 31.6-178.2 -58.9 146.1 -134.6 162.0 108.6 5 10 A R E -A 167 0A 70 162,-0.6 162,-1.9 168,-0.1 2,-0.9 -0.974 31.8-127.8-153.3 135.7 -131.9 159.6 109.9 6 11 A I E +A 166 0A 9 -2,-0.3 160,-0.2 160,-0.2 3,-0.1 -0.749 36.0 164.8 -83.7 107.4 -131.7 155.9 110.6 7 12 A S E + 0 0 25 158,-2.7 2,-0.3 -2,-0.9 -1,-0.2 0.844 61.7 18.7 -91.4 -41.2 -130.4 155.8 114.2 8 13 A C E -A 165 0A 20 157,-0.9 157,-2.1 2,-0.0 2,-0.3 -0.938 59.6-162.9-131.9 155.2 -131.2 152.2 115.2 9 14 A T E +A 164 0A 3 -2,-0.3 2,-0.3 155,-0.2 155,-0.2 -0.866 14.7 167.5-129.7 161.0 -131.9 149.0 113.4 10 15 A S E -A 163 0A 5 153,-1.5 153,-2.6 -2,-0.3 2,-0.3 -0.917 12.3-162.1-172.0 149.2 -133.5 145.8 114.8 11 16 A R E -A 162 0A 52 -2,-0.3 2,-0.3 151,-0.3 151,-0.3 -0.936 2.8-169.3-137.7 159.9 -135.0 142.6 113.5 12 17 A Y E +A 161 0A 51 149,-3.7 149,-2.5 -2,-0.3 46,-0.1 -0.897 6.4 177.0-154.8 122.5 -137.2 139.8 114.8 13 18 A V - 0 0 22 -2,-0.3 147,-0.2 147,-0.2 32,-0.1 -0.889 42.1 -88.3-122.8 154.3 -138.1 136.4 113.3 14 19 A P - 0 0 1 0, 0.0 32,-0.1 0, 0.0 145,-0.1 -0.240 31.8-129.0 -57.9 148.3 -140.2 133.5 114.7 15 20 A E S S+ 0 0 174 29,-0.1 2,-0.4 2,-0.1 31,-0.1 0.842 83.5 98.7 -69.4 -31.9 -138.3 131.1 116.8 16 21 A N - 0 0 60 29,-0.2 29,-2.0 1,-0.1 2,-0.6 -0.416 62.7-160.2 -61.4 113.1 -139.6 128.1 114.8 17 22 A C E -E 44 0B 38 -2,-0.4 2,-0.7 27,-0.2 27,-0.2 -0.867 4.7-162.8-102.0 121.3 -136.9 127.2 112.3 18 23 A V E -E 43 0B 15 25,-3.7 25,-1.6 -2,-0.6 2,-0.1 -0.890 9.0-161.3-110.2 108.5 -137.9 125.2 109.2 19 24 A T E >> -E 42 0B 41 -2,-0.7 4,-1.5 23,-0.2 3,-0.5 -0.321 32.9-110.1 -81.3 164.0 -135.1 123.5 107.3 20 25 A N H 3> S+ 0 0 9 21,-1.8 4,-1.8 1,-0.2 5,-0.2 0.794 117.2 64.2 -64.1 -26.6 -135.2 122.2 103.7 21 26 A H H 3> S+ 0 0 116 20,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.888 103.2 45.4 -64.2 -39.0 -135.0 118.7 105.2 22 27 A Q H <> S+ 0 0 82 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.846 113.4 50.6 -72.3 -34.5 -138.4 119.1 106.9 23 28 A L H X S+ 0 0 1 -4,-1.5 4,-2.4 2,-0.2 6,-0.3 0.772 104.1 57.6 -73.6 -27.8 -139.9 120.6 103.8 24 29 A S H <>S+ 0 0 21 -4,-1.8 5,-0.7 2,-0.2 -1,-0.2 0.809 111.2 43.7 -72.1 -29.1 -138.7 117.7 101.6 25 30 A E H <5S+ 0 0 135 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.939 112.7 50.5 -77.0 -52.7 -140.6 115.3 103.9 26 31 A M H <5S+ 0 0 117 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.928 125.8 27.1 -47.9 -53.7 -143.7 117.5 104.0 27 32 A M T <5S- 0 0 12 -4,-2.4 123,-0.1 -5,-0.1 122,-0.1 -0.232 97.9-107.6 -95.1-170.1 -143.6 117.7 100.2 28 33 A D T 5S+ 0 0 140 121,-0.2 2,-0.2 -2,-0.1 -3,-0.1 -0.332 79.9 103.7-121.0 54.0 -142.1 115.1 98.0 29 34 A T S - 0 0 59 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.738 17.6-137.0 -95.7 143.4 -135.3 116.7 97.8 31 36 A A H > S+ 0 0 28 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.913 107.4 59.0 -61.3 -41.6 -133.8 119.2 100.2 32 37 A A H > S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 108.1 43.9 -53.9 -45.0 -130.9 119.4 97.9 33 38 A W H > S+ 0 0 146 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.832 110.8 53.9 -71.7 -34.4 -133.1 120.5 95.0 34 39 A I H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 6,-0.4 0.906 110.6 49.9 -65.0 -38.3 -135.0 123.0 97.3 35 40 A H H X S+ 0 0 80 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.923 111.5 44.6 -65.9 -47.9 -131.6 124.4 98.2 36 41 A S H < S+ 0 0 80 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.785 115.4 47.9 -72.3 -24.9 -130.3 124.9 94.7 37 42 A R H < S+ 0 0 77 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.806 126.0 26.2 -82.9 -30.9 -133.5 126.4 93.3 38 43 A T H < S- 0 0 12 -4,-1.6 211,-0.3 2,-0.2 -2,-0.2 0.750 87.6-132.4-104.9 -30.0 -134.0 128.8 96.2 39 44 A G S < S+ 0 0 28 -4,-2.8 2,-0.4 1,-0.3 235,-0.1 0.652 70.9 122.3 81.0 13.9 -130.6 129.6 97.6 40 45 A I + 0 0 0 -6,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 -0.904 40.9 179.2-113.1 140.9 -132.2 129.0 101.0 41 46 A S S S- 0 0 32 230,-2.2 -21,-1.8 1,-0.5 2,-0.3 0.714 74.0 -11.2-105.4 -35.7 -131.1 126.4 103.6 42 47 A E E -E 19 0B 44 229,-2.2 -1,-0.5 228,-0.3 2,-0.3 -0.967 59.9-165.2-158.5 163.6 -133.7 127.2 106.3 43 48 A R E -E 18 0B 0 -25,-1.6 -25,-3.7 -2,-0.3 2,-0.4 -0.981 25.2-109.1-152.7 160.2 -136.4 129.8 107.1 44 49 A R E -E 17 0B 64 229,-0.4 115,-3.5 115,-0.3 2,-0.4 -0.778 29.7-172.4 -96.0 136.8 -138.5 130.9 110.1 45 50 A I - 0 0 20 -29,-2.0 -29,-0.2 -2,-0.4 96,-0.1 -0.996 26.3-114.9-131.3 130.5 -142.2 130.2 110.1 46 51 A V + 0 0 27 -2,-0.4 4,-0.0 1,-0.1 95,-0.0 -0.314 28.3 176.8 -63.4 142.2 -144.7 131.5 112.7 47 52 A T S S- 0 0 92 3,-0.1 -1,-0.1 -2,-0.0 3,-0.0 0.540 86.1 -2.7-117.7 -19.8 -146.4 129.0 114.9 48 53 A Q S S+ 0 0 180 2,-0.0 2,-0.2 1,-0.0 -2,-0.1 0.400 111.4 91.0-149.3 -11.4 -148.4 131.3 117.1 49 54 A E - 0 0 51 4,-0.0 2,-0.2 3,-0.0 -3,-0.1 -0.635 52.7-157.6 -96.8 153.2 -147.5 134.9 116.1 50 55 A N >> - 0 0 47 -2,-0.2 4,-1.6 -3,-0.0 3,-1.1 -0.714 44.5 -84.5-117.8 170.8 -149.1 137.1 113.5 51 56 A T H 3> S+ 0 0 0 31,-0.4 4,-2.6 1,-0.3 5,-0.2 0.845 127.4 54.3 -44.6 -45.3 -147.7 140.0 111.7 52 57 A S H 3> S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.851 105.4 53.5 -61.5 -35.7 -148.4 142.5 114.5 53 58 A D H <> S+ 0 0 61 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.909 110.5 45.9 -66.1 -43.0 -146.6 140.3 117.1 54 59 A L H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.953 116.0 45.5 -64.5 -48.4 -143.4 140.2 115.0 55 60 A C H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.831 108.6 59.3 -63.2 -31.9 -143.7 144.0 114.4 56 61 A H H X S+ 0 0 46 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.938 105.5 46.7 -62.6 -48.0 -144.4 144.4 118.1 57 62 A Q H X S+ 0 0 47 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.910 110.6 53.1 -63.0 -40.0 -141.1 142.8 119.1 58 63 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.950 112.7 43.7 -59.2 -48.8 -139.2 144.9 116.6 59 64 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.925 113.9 51.1 -61.0 -45.8 -140.7 148.1 118.0 60 65 A K H X S+ 0 0 82 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.853 112.5 46.2 -60.0 -37.9 -140.1 146.9 121.5 61 66 A Q H X S+ 0 0 52 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.852 110.4 52.6 -74.6 -36.4 -136.5 146.1 120.7 62 67 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 6,-0.3 0.878 109.6 50.0 -66.0 -37.5 -135.9 149.4 119.0 63 68 A L H X>S+ 0 0 20 -4,-2.2 4,-1.3 2,-0.2 5,-0.7 0.889 113.4 44.6 -68.2 -41.4 -137.3 151.3 122.0 64 69 A E H <5S+ 0 0 137 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.913 112.8 51.1 -70.9 -42.3 -135.0 149.4 124.4 65 70 A K H <5S+ 0 0 121 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.930 117.5 37.5 -58.5 -51.5 -131.9 149.7 122.2 66 71 A S H <5S- 0 0 40 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.687 103.2-127.8 -75.9 -21.6 -132.2 153.5 121.8 67 72 A G T <5 + 0 0 59 -4,-1.3 -3,-0.2 1,-0.3 -4,-0.1 0.624 57.4 151.3 81.0 12.4 -133.5 154.1 125.3 68 73 A K < - 0 0 49 -5,-0.7 2,-0.3 -6,-0.3 -1,-0.3 -0.374 46.2-122.2 -75.8 155.7 -136.4 156.0 123.8 69 74 A Q > - 0 0 120 1,-0.1 3,-2.0 -3,-0.1 4,-0.3 -0.755 17.7-125.6 -95.4 144.4 -139.8 156.2 125.6 70 75 A A G > S+ 0 0 16 -2,-0.3 3,-1.4 1,-0.3 32,-0.3 0.843 112.1 64.0 -58.5 -28.7 -142.8 155.0 123.7 71 76 A S G 3 S+ 0 0 66 1,-0.3 -1,-0.3 29,-0.1 29,-0.1 0.624 92.2 62.1 -70.1 -13.9 -144.2 158.5 124.4 72 77 A E G < S+ 0 0 79 -3,-2.0 2,-0.4 29,-0.0 -1,-0.3 0.495 77.9 105.7 -90.4 -4.9 -141.5 160.1 122.3 73 78 A I < - 0 0 0 -3,-1.4 61,-0.2 -4,-0.3 29,-0.1 -0.655 45.7-176.1 -78.9 126.3 -142.6 158.3 119.1 74 79 A D + 0 0 37 59,-3.6 30,-1.7 -2,-0.4 2,-0.3 0.760 67.6 7.0 -91.2 -31.6 -144.5 160.7 116.8 75 80 A F E -bc 104 134A 0 58,-1.2 60,-1.8 28,-0.3 2,-0.4 -0.995 54.3-154.6-155.4 148.8 -145.4 158.2 114.1 76 81 A I E -bc 105 135A 0 28,-2.0 30,-1.7 -2,-0.3 2,-0.4 -0.986 14.7-174.3-127.4 118.0 -145.4 154.5 113.4 77 82 A L E -bc 106 136A 0 58,-2.7 60,-2.7 -2,-0.4 2,-0.5 -0.956 1.8-170.3-115.4 130.0 -145.3 153.2 109.8 78 83 A V E -bc 107 137A 0 28,-1.7 30,-2.5 -2,-0.4 2,-0.6 -0.978 12.0-153.0-123.9 127.2 -145.6 149.5 108.9 79 84 A A E +bc 108 138A 0 58,-2.6 60,-2.3 -2,-0.5 2,-0.3 -0.877 41.2 133.7 -96.7 118.9 -145.0 148.0 105.4 80 85 A T - 0 0 8 28,-1.6 31,-0.2 -2,-0.6 60,-0.1 -0.986 44.0-170.2-161.8 155.1 -147.0 144.8 105.1 81 86 A V S S+ 0 0 34 -2,-0.3 59,-0.1 58,-0.3 28,-0.1 0.077 91.1 60.5-132.7 15.3 -149.4 142.9 102.8 82 87 A T S S+ 0 0 3 57,-0.4 -31,-0.4 3,-0.0 59,-0.1 -0.388 72.1 165.4-138.5 54.7 -150.2 140.3 105.4 83 88 A P - 0 0 37 0, 0.0 4,-0.1 0, 0.0 6,-0.1 -0.410 48.0-117.7 -74.8 151.0 -151.8 142.3 108.2 84 89 A D S S- 0 0 37 -2,-0.1 2,-0.3 2,-0.1 5,-0.1 0.942 97.1 -1.1 -50.4 -54.1 -153.8 140.6 111.0 85 90 A F - 0 0 116 3,-0.5 5,-0.1 1,-0.1 -1,-0.1 -0.819 65.7-123.4-128.9 168.7 -156.9 142.5 109.9 86 91 A N S S+ 0 0 159 1,-0.4 -1,-0.1 -2,-0.3 4,-0.1 0.812 103.6 57.7 -78.0 -31.2 -157.7 145.1 107.2 87 92 A M S S+ 0 0 160 2,-0.1 -1,-0.4 -4,-0.1 2,-0.2 -0.972 98.0 35.6-147.6 125.7 -158.8 147.1 110.2 88 93 A P S S- 0 0 61 0, 0.0 -3,-0.5 0, 0.0 2,-0.1 0.568 94.6-127.6 -70.4 174.2 -157.2 147.8 112.6 89 94 A S > - 0 0 21 -2,-0.2 4,-1.5 16,-0.1 5,-0.1 -0.459 16.0-118.2 -84.0 162.1 -153.8 148.3 110.8 90 95 A V H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.885 116.7 59.5 -68.1 -35.0 -150.7 146.5 112.1 91 96 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.868 105.5 48.8 -59.2 -37.3 -149.2 149.9 112.8 92 97 A C H > S+ 0 0 58 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.859 108.2 52.6 -71.8 -35.2 -152.1 150.6 115.2 93 98 A Q H X S+ 0 0 47 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.867 112.9 45.3 -67.9 -34.7 -151.8 147.3 117.0 94 99 A V H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.896 107.9 57.0 -72.4 -42.2 -148.1 148.0 117.6 95 100 A Q H <>S+ 0 0 50 -4,-2.1 5,-2.0 1,-0.2 4,-0.4 0.885 114.4 40.0 -56.2 -40.0 -148.8 151.6 118.6 96 101 A G H <5S+ 0 0 50 -4,-1.8 3,-0.3 3,-0.2 -1,-0.2 0.873 111.4 56.8 -78.3 -37.9 -151.1 150.2 121.3 97 102 A A H <5S+ 0 0 51 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.905 116.7 33.6 -60.3 -45.3 -148.8 147.3 122.2 98 103 A I T <5S- 0 0 26 -4,-2.6 -1,-0.2 -5,-0.1 -28,-0.2 0.485 110.7-118.4 -91.0 -3.5 -145.8 149.4 123.1 99 104 A G T 5 + 0 0 33 -4,-0.4 2,-2.2 -5,-0.3 -3,-0.2 0.835 50.3 163.5 71.9 33.9 -147.9 152.3 124.4 100 105 A A > < + 0 0 0 -5,-2.0 3,-2.2 -6,-0.3 -1,-0.2 -0.410 7.6 165.7 -81.8 62.7 -146.8 155.0 121.9 101 106 A T T 3 + 0 0 92 -2,-2.2 -1,-0.2 1,-0.3 -30,-0.1 0.685 68.4 53.6 -53.5 -24.9 -149.8 157.1 122.9 102 107 A E T 3 S+ 0 0 128 -32,-0.3 2,-0.4 -3,-0.2 -1,-0.3 0.336 93.8 89.2 -96.1 7.7 -148.4 160.2 121.1 103 108 A A < - 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