==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-MAR-03 1UB7 . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER PROTEIN] SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR E.INAGAKI,M.MIYANO,T.H.TAHIROV,RIKEN STRUCTURAL GENOMICS/PRO . 1284 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44046.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 967 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 95 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 212 16.5 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 . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 2 0.2 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 . 145 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 340 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 1.9 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 7 4 0 2 6 2 2 3 1 0 2 6 0 0 0 0 0 0 3 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 0 2 7 3 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 8 2 4 0 0 4 12 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 . 12 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 2 A S 0 0 15 0, 0.0 171,-3.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 169.5 -23.6 65.5 -53.0 2 3 A G E -A 164 0A 0 162,-3.0 162,-2.7 169,-0.3 2,-0.7 -0.906 360.0 -70.7-156.1-178.2 -20.8 63.5 -51.5 3 4 A I E +A 163 0A 9 -2,-0.3 316,-0.3 160,-0.2 160,-0.2 -0.775 37.8 176.0 -90.7 112.1 -17.8 61.3 -52.2 4 5 A L E + 0 0 39 158,-2.6 2,-0.3 -2,-0.7 -1,-0.2 0.708 67.7 6.7 -86.0 -24.2 -18.9 57.8 -53.4 5 6 A A E -A 162 0A 3 157,-0.9 157,-2.0 314,-0.0 2,-0.3 -0.989 60.4-168.1-158.0 155.9 -15.4 56.4 -54.2 6 7 A L E +A 161 0A 4 -2,-0.3 2,-0.3 155,-0.2 155,-0.2 -0.994 11.4 159.5-149.6 149.1 -11.8 57.3 -53.8 7 8 A G E -A 160 0A 0 153,-1.9 153,-2.5 -2,-0.3 2,-0.3 -0.961 10.2-173.6-162.0 159.4 -8.4 56.0 -55.1 8 9 A A E -A 159 0A 2 -2,-0.3 2,-0.3 151,-0.3 151,-0.3 -0.968 4.5-163.2-155.4 168.8 -4.8 57.4 -55.4 9 10 A Y E -A 158 0A 57 149,-3.0 149,-2.2 -2,-0.3 47,-0.1 -0.993 5.1-165.9-157.0 147.9 -1.4 56.6 -56.8 10 11 A V - 0 0 20 -2,-0.3 147,-0.2 147,-0.2 32,-0.1 -0.974 40.6 -95.2-133.2 147.8 2.2 57.7 -56.6 11 12 A P - 0 0 0 0, 0.0 32,-0.1 0, 0.0 31,-0.1 -0.232 30.7-122.8 -60.8 159.0 5.0 56.7 -59.0 12 13 A E S S+ 0 0 175 29,-0.1 2,-0.3 2,-0.1 31,-0.1 0.870 84.9 89.0 -69.6 -42.5 7.1 53.7 -58.0 13 14 A R E -J 42 0B 179 29,-0.6 29,-2.7 1,-0.0 2,-0.2 -0.447 64.9-155.9 -67.5 122.4 10.5 55.5 -58.1 14 15 A V E -J 41 0B 54 -2,-0.3 2,-0.4 27,-0.2 27,-0.2 -0.649 7.1-159.6 -97.7 153.2 11.5 57.0 -54.7 15 16 A M E -J 40 0B 30 25,-2.0 25,-0.9 -2,-0.2 2,-0.1 -0.885 10.0-158.3-138.7 105.7 13.9 59.9 -54.1 16 17 A T E > -J 39 0B 41 -2,-0.4 4,-0.9 23,-0.2 3,-0.3 -0.332 34.0-111.3 -78.4 159.4 15.4 60.4 -50.7 17 18 A N H >> S+ 0 0 1 21,-1.5 4,-1.7 1,-0.3 3,-0.9 0.860 122.9 62.3 -57.9 -31.9 16.9 63.6 -49.4 18 19 A A H 3> S+ 0 0 52 1,-0.3 4,-1.6 2,-0.2 3,-0.5 0.937 94.8 58.3 -56.2 -48.7 20.2 61.7 -49.7 19 20 A D H 34 S+ 0 0 76 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.764 109.3 46.2 -52.0 -28.0 19.5 61.5 -53.4 20 21 A F H XX S+ 0 0 0 -3,-0.9 4,-1.8 -4,-0.9 3,-1.2 0.772 105.4 57.0 -86.6 -30.5 19.5 65.3 -53.3 21 22 A E H 3< S+ 0 0 89 -4,-1.7 -2,-0.2 -3,-0.5 -1,-0.2 0.728 93.7 74.4 -71.1 -20.1 22.6 65.6 -51.2 22 23 A A T 3< S+ 0 0 84 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 0.519 120.3 2.3 -70.7 -7.0 24.3 63.6 -53.9 23 24 A Y T <4 S+ 0 0 100 -3,-1.2 2,-0.4 1,-0.2 -2,-0.2 0.407 116.0 74.0-157.8 -4.5 24.5 66.5 -56.3 24 25 A L S < S- 0 0 31 -4,-1.8 2,-2.7 2,-0.2 -1,-0.2 -0.957 82.4-107.5-127.9 144.6 23.0 69.7 -54.7 25 26 A D S S+ 0 0 127 -2,-0.4 2,-0.3 -3,-0.1 -4,-0.1 -0.356 86.4 95.0 -62.8 75.5 24.2 72.1 -52.0 26 27 A T - 0 0 25 -2,-2.7 2,-0.2 -5,-0.1 -2,-0.2 -0.972 58.4-141.9-165.8 152.8 21.8 70.8 -49.4 27 28 A S > - 0 0 45 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.596 31.2-112.0-112.7 174.9 21.5 68.3 -46.5 28 29 A D H > S+ 0 0 69 -2,-0.2 4,-3.5 2,-0.2 5,-0.2 0.852 120.0 51.2 -74.6 -34.2 18.9 66.0 -45.2 29 30 A E H >>S+ 0 0 139 2,-0.2 4,-2.5 1,-0.2 5,-0.5 0.938 103.3 55.9 -67.8 -47.6 18.6 68.2 -42.1 30 31 A W H >5S+ 0 0 109 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.939 117.7 38.4 -46.8 -49.7 18.1 71.4 -44.2 31 32 A I H X>S+ 0 0 2 -4,-1.4 4,-2.8 2,-0.2 5,-1.7 0.959 113.5 51.7 -67.9 -56.0 15.2 69.6 -45.8 32 33 A V H <5S+ 0 0 33 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.768 120.6 34.1 -56.9 -29.2 13.7 67.7 -42.9 33 34 A T H <5S+ 0 0 75 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.734 120.3 47.3 -99.1 -25.0 13.5 70.8 -40.7 34 35 A R H < - 0 0 48 2,-0.1 3,-2.2 1,-0.1 -1,-0.1 -0.110 43.5 -93.9 -57.9 163.6 8.9 57.1 -64.7 45 46 A E T 3 S+ 0 0 178 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.859 126.3 30.5 -48.4 -46.4 10.7 58.5 -67.7 46 47 A D T 3 S+ 0 0 114 2,-0.1 2,-0.6 469,-0.1 -1,-0.3 -0.142 96.4 108.0-108.0 36.4 7.7 58.0 -70.0 47 48 A E < + 0 0 10 -3,-2.2 2,-0.2 -4,-0.1 -4,-0.1 -0.950 47.7 178.8-116.6 113.1 5.0 58.4 -67.3 48 49 A Y >> - 0 0 28 -2,-0.6 4,-2.3 -5,-0.0 3,-0.8 -0.484 45.9 -83.5-109.7 179.9 3.0 61.6 -67.5 49 50 A T H 3> S+ 0 0 0 31,-0.4 4,-2.4 1,-0.3 5,-0.1 0.846 126.7 53.1 -48.2 -41.7 0.1 63.4 -65.8 50 51 A S H 3> S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.887 109.0 50.5 -63.4 -37.2 -2.5 61.4 -67.8 51 52 A D H <> S+ 0 0 26 -3,-0.8 4,-3.0 2,-0.2 -2,-0.2 0.917 109.2 49.4 -67.1 -42.6 -0.8 58.2 -66.7 52 53 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.915 113.2 49.2 -62.0 -38.7 -0.8 59.2 -63.0 53 54 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.917 110.8 48.7 -65.9 -44.0 -4.5 60.1 -63.6 54 55 A F H X S+ 0 0 19 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.955 112.5 48.8 -60.1 -49.7 -5.2 56.7 -65.2 55 56 A K H X S+ 0 0 68 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.842 108.5 53.2 -60.2 -35.1 -3.4 54.9 -62.3 56 57 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.911 110.4 47.3 -68.9 -38.8 -5.3 56.8 -59.7 57 58 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.890 108.2 55.2 -70.1 -35.9 -8.6 55.8 -61.2 58 59 A E H X S+ 0 0 76 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.911 107.8 49.6 -60.2 -40.4 -7.6 52.2 -61.5 59 60 A D H X S+ 0 0 37 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.922 108.5 53.0 -63.7 -42.2 -6.9 52.2 -57.8 60 61 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.913 111.0 47.8 -56.8 -43.8 -10.3 53.7 -57.3 61 62 A L H < S+ 0 0 49 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.828 108.0 53.4 -69.0 -33.2 -11.8 50.9 -59.3 62 63 A R H < S+ 0 0 203 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.944 118.0 37.5 -66.5 -43.5 -9.8 48.2 -57.4 63 64 A R H < S+ 0 0 64 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.780 130.7 30.4 -76.5 -29.8 -11.2 49.6 -54.1 64 65 A H S >< S- 0 0 64 -4,-2.2 3,-1.6 -5,-0.3 -1,-0.2 -0.629 81.4-154.6-135.4 78.1 -14.7 50.4 -55.5 65 66 A P T 3 S+ 0 0 111 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.192 79.7 11.5 -53.1 135.4 -15.7 48.0 -58.3 66 67 A G T > S+ 0 0 48 -5,-0.1 3,-1.3 1,-0.1 -5,-0.1 0.587 84.6 134.9 71.7 12.8 -18.3 49.4 -60.8 67 68 A A T < + 0 0 16 -3,-1.6 -1,-0.1 1,-0.3 -63,-0.1 0.749 60.9 62.5 -65.9 -26.2 -17.8 52.9 -59.4 68 69 A L T > S+ 0 0 18 -4,-0.2 3,-1.9 2,-0.1 2,-0.3 0.504 75.5 117.1 -80.2 -0.1 -17.6 54.7 -62.8 69 70 A E T < S+ 0 0 150 -3,-1.3 3,-0.1 1,-0.3 29,-0.0 -0.517 82.6 15.2 -68.5 125.5 -21.1 53.5 -63.6 70 71 A G T 3 S+ 0 0 22 -2,-0.3 60,-0.8 1,-0.3 2,-0.6 0.440 88.2 143.6 90.8 -0.4 -23.3 56.6 -64.0 71 72 A V E < +b 130 0A 6 -3,-1.9 28,-0.3 58,-0.2 -1,-0.3 -0.645 19.0 170.8 -78.1 116.6 -20.4 59.0 -64.3 72 73 A D E + 0 0 51 58,-2.0 29,-2.2 -2,-0.6 2,-0.3 0.375 59.7 43.7-105.6 2.5 -21.2 61.7 -66.8 73 74 A A E -bc 131 101A 0 57,-0.7 59,-3.6 27,-0.3 2,-0.5 -0.977 52.9-163.0-155.0 139.6 -18.3 64.0 -66.3 74 75 A V E -bc 132 102A 1 27,-2.4 29,-2.0 -2,-0.3 2,-0.5 -0.980 11.1-178.6-122.0 122.7 -14.5 63.9 -65.8 75 76 A I E -bc 133 103A 0 57,-2.6 59,-3.2 -2,-0.5 2,-0.7 -0.988 9.1-161.9-119.2 122.3 -12.8 66.9 -64.4 76 77 A V E -bc 134 104A 0 27,-2.1 29,-2.5 -2,-0.5 2,-0.8 -0.904 4.8-156.9-107.1 111.3 -9.0 66.7 -64.1 77 78 A A E +bc 135 105A 0 57,-4.1 59,-2.2 -2,-0.7 2,-0.3 -0.793 40.9 131.8 -86.3 115.2 -7.5 69.3 -61.7 78 79 A T - 0 0 0 27,-1.5 30,-0.2 -2,-0.8 29,-0.2 -0.964 50.1-158.8-155.3 166.8 -3.9 69.7 -62.8 79 80 A N S S+ 0 0 2 57,-0.3 58,-0.1 -2,-0.3 27,-0.1 0.194 93.5 55.3-132.6 5.3 -1.3 72.3 -63.7 80 81 A T S S+ 0 0 0 56,-0.4 -31,-0.4 3,-0.0 58,-0.2 -0.350 73.1 174.2-135.1 55.0 0.9 70.0 -65.7 81 82 A P - 0 0 1 0, 0.0 433,-0.2 0, 0.0 434,-0.2 -0.251 42.2-117.3 -64.2 150.6 -1.4 68.6 -68.4 82 83 A D S S+ 0 0 1 432,-0.2 431,-3.0 431,-0.2 432,-2.7 0.908 93.4 1.3 -52.6 -45.9 0.1 66.4 -71.2 83 84 A A E -K 512 0C 0 3,-0.4 429,-0.3 429,-0.3 5,-0.2 -0.917 67.0-116.2-140.4 165.5 -1.0 69.0 -73.8 84 85 A L E S+ 0 0 7 427,-2.9 346,-0.3 1,-0.4 428,-0.1 0.856 104.6 40.8 -65.9 -35.0 -2.7 72.3 -74.1 85 86 A F E S+K 511 0C 11 426,-1.0 426,-2.2 1,-0.2 -1,-0.4 -0.918 95.8 44.3-163.8 143.7 -5.2 70.2 -76.0 86 87 A P S S- 0 0 1 0, 0.0 -3,-0.4 0, 0.0 -1,-0.2 0.601 92.6-127.4 -65.9 160.0 -6.6 67.6 -76.0 87 88 A D > - 0 0 1 542,-0.2 4,-1.2 -2,-0.2 3,-0.3 -0.416 12.1-118.9 -76.6 157.8 -7.2 68.0 -72.3 88 89 A T H > S+ 0 0 0 1,-0.2 4,-2.0 -5,-0.2 5,-0.2 0.803 111.6 62.5 -66.9 -28.9 -6.2 65.3 -69.9 89 90 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.901 100.8 52.9 -65.1 -37.2 -9.9 64.8 -68.8 90 91 A A H > S+ 0 0 0 -3,-0.3 4,-2.2 1,-0.2 413,-0.7 0.897 107.8 51.3 -64.3 -36.8 -10.7 63.7 -72.3 91 92 A L H X S+ 0 0 6 -4,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.892 111.3 47.7 -66.2 -37.9 -7.9 61.2 -72.2 92 93 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.908 109.5 53.2 -68.7 -41.7 -9.3 59.8 -68.9 93 94 A Q H <>S+ 0 0 12 -4,-2.6 5,-2.5 2,-0.2 -2,-0.2 0.915 112.7 45.0 -58.2 -44.2 -12.8 59.6 -70.4 94 95 A A H ><5S+ 0 0 21 -4,-2.2 3,-2.8 3,-0.2 -2,-0.2 0.970 107.9 56.6 -63.6 -56.2 -11.5 57.6 -73.3 95 96 A R H 3<5S+ 0 0 115 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.846 115.9 36.5 -45.6 -44.3 -9.3 55.2 -71.3 96 97 A F T 3<5S- 0 0 30 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.285 108.6-124.5 -97.9 14.9 -12.3 54.2 -69.2 97 98 A G T < 5 + 0 0 64 -3,-2.8 2,-0.2 1,-0.2 -3,-0.2 0.861 49.0 168.9 46.3 49.2 -14.7 54.3 -72.1 98 99 A L < - 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