==== 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 15-JUL-05 2BWO . COMPND 2 MOLECULE: 5-AMINOLEVULINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER CAPSULATUS; . AUTHOR I.ASTNER,J.O.SCHULZE,J.J.VAN DEN HEUVEL,D.JAHN,W.-D.SCHUBERT . 1593 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1203 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 0 0.0 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 . 1 0.1 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 . 115 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 166 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 584 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 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 8 0 0 0 0 4 8 4 0 4 14 10 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 4 8 4 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 . 11 4 4 8 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 3 4 0 4 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 1 A M 0 0 100 0, 0.0 2,-0.7 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 167.8 31.6 -10.2 42.5 2 2 A D > - 0 0 100 1,-0.1 4,-1.8 576,-0.0 3,-0.3 -0.896 360.0-167.9 -97.8 105.8 35.1 -9.3 41.4 3 3 A Y H > S+ 0 0 21 -2,-0.7 4,-2.0 1,-0.2 -1,-0.1 0.839 80.8 56.0 -65.0 -37.9 34.5 -6.5 39.0 4 4 A N H > S+ 0 0 73 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.900 105.2 53.1 -62.7 -41.2 38.0 -6.3 37.5 5 5 A L H > S+ 0 0 92 -3,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.955 109.5 48.7 -57.2 -50.1 37.9 -10.0 36.6 6 6 A A H X S+ 0 0 18 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.871 110.3 51.2 -62.2 -36.6 34.6 -9.5 34.7 7 7 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.968 110.6 48.5 -63.2 -49.7 36.0 -6.5 32.9 8 8 A D H X S+ 0 0 69 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.884 110.9 51.6 -55.0 -42.1 39.0 -8.5 31.8 9 9 A K H X S+ 0 0 137 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.931 110.0 49.2 -62.5 -42.2 36.8 -11.3 30.6 10 10 A A H X S+ 0 0 15 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.866 115.5 43.1 -65.0 -38.0 34.7 -8.9 28.6 11 11 A I H >X S+ 0 0 18 -4,-2.4 4,-1.4 2,-0.2 3,-1.0 0.932 111.1 53.5 -73.5 -44.7 37.9 -7.3 27.0 12 12 A Q H 3X S+ 0 0 93 -4,-3.3 4,-2.5 1,-0.3 -2,-0.2 0.887 101.0 62.9 -54.8 -40.3 39.6 -10.7 26.4 13 13 A K H 3X S+ 0 0 111 -4,-2.2 4,-1.3 1,-0.2 -1,-0.3 0.838 100.7 52.3 -52.4 -39.1 36.4 -11.8 24.6 14 14 A L H <<>S+ 0 0 2 -3,-1.0 5,-2.5 -4,-0.8 6,-0.6 0.915 109.6 47.8 -65.6 -44.0 37.0 -9.0 22.0 15 15 A H H ><5S+ 0 0 86 -4,-1.4 3,-2.0 1,-0.2 -2,-0.2 0.918 107.5 56.0 -62.3 -43.8 40.6 -10.2 21.3 16 16 A D H 3<5S+ 0 0 115 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.813 109.9 45.3 -60.4 -32.6 39.5 -13.8 21.0 17 17 A E T 3<5S- 0 0 59 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.326 112.5-123.2 -91.0 4.6 37.0 -12.8 18.2 18 18 A G T < 5S+ 0 0 24 -3,-2.0 -3,-0.2 -4,-0.1 -2,-0.1 0.788 82.9 111.1 59.9 31.1 39.8 -10.7 16.6 19 19 A R < + 0 0 23 -5,-2.5 2,-0.4 -6,-0.2 -4,-0.2 0.211 28.2 131.4-122.1 12.5 37.5 -7.6 16.8 20 20 A Y - 0 0 55 -6,-0.6 2,-0.4 -8,-0.1 -9,-0.0 -0.523 55.3-132.6 -66.8 123.5 39.2 -5.4 19.5 21 21 A R - 0 0 23 -2,-0.4 2,-0.6 341,-0.0 -1,-0.1 -0.687 17.2-161.5 -91.0 131.5 39.4 -2.0 17.9 22 22 A T - 0 0 71 -2,-0.4 2,-0.1 462,-0.1 -2,-0.0 -0.937 19.5-138.7-106.4 121.4 42.5 0.2 17.8 23 23 A F - 0 0 29 -2,-0.6 2,-0.5 336,-0.0 461,-0.1 -0.398 6.2-134.7 -80.6 154.7 41.8 3.8 17.1 24 24 A I - 0 0 19 459,-0.4 2,-0.8 460,-0.2 464,-0.3 -0.958 13.9-140.2-111.0 118.0 44.0 5.9 14.8 25 25 A D + 0 0 16 -2,-0.5 14,-3.0 14,-0.4 2,-0.3 -0.723 37.1 162.4 -82.1 110.8 44.9 9.3 16.2 26 26 A I E -Ab 38 489A 1 462,-2.6 464,-0.7 -2,-0.8 2,-0.4 -0.848 34.4-155.2-126.9 162.9 44.7 11.9 13.3 27 27 A E E -A 37 0A 35 10,-1.9 10,-2.4 -2,-0.3 462,-0.1 -0.871 22.9-140.7-136.3 102.9 44.5 15.6 12.6 28 28 A R E -A 36 0A 25 -2,-0.4 2,-1.0 8,-0.3 8,-0.3 -0.365 20.5-122.9 -59.4 141.2 42.9 16.6 9.2 29 29 A E > - 0 0 88 6,-2.4 3,-2.7 3,-0.1 446,-0.3 -0.741 24.2-132.6 -92.9 96.5 44.7 19.6 7.6 30 30 A K T 3 S+ 0 0 66 444,-2.2 446,-0.1 -2,-1.0 31,-0.1 -0.204 93.3 21.0 -53.0 129.7 42.1 22.3 7.0 31 31 A G T 3 S+ 0 0 58 444,-0.1 -1,-0.3 4,-0.0 444,-0.1 0.347 121.0 63.1 91.5 -4.6 42.4 23.6 3.5 32 32 A A S X S- 0 0 31 -3,-2.7 3,-2.5 3,-0.2 -2,-0.2 0.150 81.4-175.1-138.4 16.5 44.3 20.4 2.3 33 33 A F T 3 + 0 0 17 1,-0.4 3,-0.1 -4,-0.2 16,-0.1 -0.290 66.5 37.6 -45.1 139.3 41.7 17.7 2.8 34 34 A P T 3 S+ 0 0 13 0, 0.0 16,-2.6 0, 0.0 -1,-0.4 -0.916 100.2 95.0 -92.1 20.7 42.0 14.7 2.4 35 35 A K E < + C 0 49A 77 -3,-2.5 -6,-2.4 -6,-0.2 2,-0.3 -0.434 50.0 168.8 -70.9 138.1 45.5 15.2 3.9 36 36 A A E -AC 28 48A 1 12,-2.3 12,-3.0 -8,-0.3 2,-0.6 -0.966 36.1-114.4-143.8 164.5 45.9 14.5 7.6 37 37 A Q E -AC 27 47A 65 -10,-2.4 -10,-1.9 -2,-0.3 2,-0.6 -0.897 25.8-148.2 -99.3 123.4 48.6 14.1 10.1 38 38 A W E -AC 26 46A 20 8,-3.7 8,-2.0 -2,-0.6 2,-1.1 -0.860 3.5-150.1 -90.1 123.2 48.8 10.6 11.7 39 39 A N E - C 0 45A 30 -14,-3.0 -14,-0.4 -2,-0.6 6,-0.2 -0.811 23.2-145.9 -91.6 90.8 50.1 10.7 15.3 40 40 A R > - 0 0 79 4,-1.9 3,-2.5 -2,-1.1 -16,-0.0 -0.269 19.9-115.6 -60.6 144.7 51.7 7.3 15.4 41 41 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.658 116.0 63.1 -53.8 -17.1 51.7 5.3 18.7 42 42 A D T 3 S- 0 0 111 2,-0.1 3,-0.1 1,-0.0 -2,-0.1 0.315 123.0-103.3 -90.7 7.4 55.5 5.7 18.8 43 43 A G S < S+ 0 0 60 -3,-2.5 2,-0.1 1,-0.3 -1,-0.0 0.299 81.4 127.3 91.3 -8.9 55.2 9.6 19.0 44 44 A G - 0 0 18 -5,-0.1 -4,-1.9 1,-0.0 2,-0.4 -0.335 52.6-132.2 -79.0 162.3 56.1 10.2 15.3 45 45 A K E -C 39 0A 133 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.950 23.0-179.2-117.3 136.0 54.2 12.2 12.8 46 46 A Q E -C 38 0A 49 -8,-2.0 -8,-3.7 -2,-0.4 2,-0.3 -0.997 27.8-123.8-139.2 134.3 53.3 11.1 9.3 47 47 A D E +C 37 0A 101 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.545 42.5 172.6 -71.3 132.8 51.4 12.7 6.5 48 48 A I E -C 36 0A 4 -12,-3.0 -12,-2.3 -2,-0.3 2,-0.5 -0.899 33.7-122.9-139.3 169.4 48.5 10.6 5.3 49 49 A T E -Cd 35 356A 29 306,-2.7 308,-2.6 -2,-0.3 2,-0.5 -0.977 25.0-136.5-116.3 124.0 45.5 10.5 3.0 50 50 A V E + d 0 357A 8 -16,-2.6 308,-0.1 -2,-0.5 306,-0.0 -0.693 32.1 163.6 -79.9 124.2 42.1 9.8 4.6 51 51 A W + 0 0 3 306,-2.8 325,-2.6 -2,-0.5 307,-0.2 0.370 69.9 48.1-120.4 0.8 40.1 7.4 2.5 52 52 A C S S+ 0 0 0 305,-0.5 306,-0.1 323,-0.2 -2,-0.1 0.326 78.4 128.0-126.5 5.7 37.4 6.2 4.9 53 53 A G - 0 0 12 323,-0.1 428,-0.2 1,-0.1 433,-0.1 -0.056 53.6-141.2 -64.4 164.2 36.1 9.5 6.3 54 54 A N S S+ 0 0 6 426,-2.7 2,-2.3 431,-0.2 197,-0.2 0.357 77.6 100.6-110.1 3.5 32.4 10.6 6.4 55 55 A D > - 0 0 11 425,-0.3 3,-2.0 1,-0.2 194,-0.2 -0.499 60.1-179.5 -80.8 65.6 32.9 14.3 5.6 56 56 A Y T 3 + 0 0 2 -2,-2.3 -1,-0.2 1,-0.3 193,-0.1 0.593 68.9 31.4 -51.8 -26.0 31.9 13.1 2.1 57 57 A L T 3 S- 0 0 5 191,-0.3 -1,-0.3 192,-0.2 192,-0.1 0.362 107.0-111.6-116.9 5.1 32.1 16.4 0.3 58 58 A G X + 0 0 7 -3,-2.0 3,-1.5 1,-0.1 4,-0.2 0.712 69.4 141.9 71.9 20.7 34.9 18.1 2.2 59 59 A M G > + 0 0 0 190,-0.4 3,-1.1 1,-0.3 6,-0.2 0.663 54.9 80.2 -64.0 -20.1 32.4 20.6 3.7 60 60 A G G 3 S+ 0 0 0 1,-0.3 417,-2.7 -5,-0.1 -1,-0.3 0.687 102.5 35.2 -60.4 -19.5 34.4 20.5 6.9 61 61 A Q G < S+ 0 0 33 -3,-1.5 -1,-0.3 415,-0.2 -2,-0.2 0.284 85.9 132.0-114.3 4.2 37.0 22.8 5.4 62 62 A H X> - 0 0 33 -3,-1.1 4,-2.4 -4,-0.2 3,-0.5 -0.413 57.2-137.4 -64.6 127.0 34.5 24.9 3.3 63 63 A P H 3> S+ 0 0 93 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.811 101.9 53.3 -55.6 -33.7 35.2 28.7 3.9 64 64 A V H 3> S+ 0 0 62 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.859 109.7 47.7 -73.4 -32.7 31.5 29.5 4.1 65 65 A V H <> S+ 0 0 0 -3,-0.5 4,-2.0 -6,-0.2 -1,-0.2 0.956 115.5 44.6 -66.5 -49.9 31.0 27.0 6.9 66 66 A L H X S+ 0 0 5 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.861 109.5 55.4 -64.2 -38.0 34.0 28.1 8.8 67 67 A A H X S+ 0 0 52 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.939 109.3 47.6 -57.3 -47.9 33.2 31.8 8.4 68 68 A A H X S+ 0 0 27 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.867 113.1 48.9 -64.3 -38.3 29.7 31.2 9.9 69 69 A M H X S+ 0 0 5 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.953 111.9 46.8 -66.7 -49.3 31.3 29.3 12.8 70 70 A H H X S+ 0 0 41 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.914 112.7 52.2 -56.7 -44.6 33.9 31.9 13.6 71 71 A E H X S+ 0 0 146 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.890 109.5 48.2 -56.7 -45.2 31.2 34.6 13.4 72 72 A A H X>S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.7 0.886 106.6 55.5 -69.9 -40.5 29.0 32.8 15.9 73 73 A L H X5S+ 0 0 2 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.925 112.4 44.9 -53.7 -45.4 31.7 32.2 18.4 74 74 A E H <5S+ 0 0 90 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.800 116.2 46.0 -69.8 -32.7 32.3 35.9 18.4 75 75 A A H <5S+ 0 0 44 -4,-1.9 354,-1.7 2,-0.1 -2,-0.2 0.899 134.4 2.3 -77.3 -44.6 28.6 36.8 18.6 76 76 A V H <5S- 0 0 4 -4,-2.8 3,-0.2 1,-0.3 -3,-0.2 0.424 98.7-116.7-132.1 -3.7 27.3 34.5 21.3 77 77 A G << - 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