==== 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 2BWP . 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 . 1594 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50998.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1188 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 103 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 8.9 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 . 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 . 115 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 159 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 579 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 2.1 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 2 3 13 10 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 4 8 1 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 . 13 3 1 11 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 0 4 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 0 107 0, 0.0 2,-0.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 139.1 32.3 -10.9 42.6 2 2 A D > - 0 0 95 1,-0.1 4,-2.0 2,-0.0 5,-0.2 -0.925 360.0-169.0-116.3 109.4 35.4 -9.2 41.1 3 3 A Y H > S+ 0 0 23 -2,-0.5 4,-2.0 1,-0.2 -1,-0.1 0.902 89.5 54.5 -60.5 -38.3 34.3 -6.4 38.8 4 4 A N H > S+ 0 0 65 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.886 105.4 52.5 -65.0 -39.3 37.8 -6.1 37.5 5 5 A L H > S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.976 110.1 48.7 -57.9 -51.9 37.9 -9.8 36.6 6 6 A A H X S+ 0 0 28 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.812 109.1 52.5 -60.9 -35.1 34.6 -9.5 34.6 7 7 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.975 108.5 50.6 -62.3 -55.5 35.9 -6.4 32.7 8 8 A D H X S+ 0 0 70 -4,-2.3 4,-3.2 1,-0.2 -2,-0.2 0.883 110.9 49.3 -45.6 -49.5 39.1 -8.3 31.7 9 9 A K H X S+ 0 0 125 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.912 109.5 51.8 -58.3 -47.9 36.9 -11.2 30.5 10 10 A A H X S+ 0 0 13 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.890 114.5 42.0 -59.1 -41.2 34.8 -8.8 28.5 11 11 A I H >X S+ 0 0 16 -4,-2.5 4,-1.5 2,-0.2 3,-1.2 0.918 111.5 55.9 -71.5 -43.6 37.8 -7.3 26.8 12 12 A Q H 3X S+ 0 0 93 -4,-3.2 4,-2.5 1,-0.3 -2,-0.2 0.884 99.3 61.4 -56.1 -41.0 39.5 -10.7 26.3 13 13 A K H 3X S+ 0 0 106 -4,-2.5 4,-1.2 1,-0.2 -1,-0.3 0.826 101.6 52.4 -54.0 -36.3 36.5 -11.8 24.5 14 14 A L H S+ 0 0 2 -3,-1.2 5,-2.0 -4,-0.7 4,-0.7 0.913 109.4 47.6 -69.8 -43.7 37.1 -9.0 21.9 15 15 A H H ><5S+ 0 0 87 -4,-1.5 3,-1.1 1,-0.2 -2,-0.2 0.918 109.1 55.7 -61.3 -42.5 40.7 -10.0 21.3 16 16 A D H 3<5S+ 0 0 120 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.774 110.5 44.9 -61.7 -30.2 39.5 -13.7 20.9 17 17 A E H 3<5S- 0 0 56 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.496 111.8-121.3 -91.9 -7.9 37.1 -12.7 18.2 18 18 A G T <<5S+ 0 0 21 -3,-1.1 -3,-0.2 -4,-0.7 -2,-0.1 0.602 84.9 110.2 78.2 14.8 39.7 -10.5 16.4 19 19 A R < + 0 0 23 -5,-2.0 2,-0.4 -6,-0.2 -4,-0.2 0.184 29.3 129.0-111.5 15.2 37.4 -7.5 16.8 20 20 A Y - 0 0 56 -6,-0.6 2,-0.5 -5,-0.1 -9,-0.0 -0.596 55.0-133.8 -71.8 128.9 39.2 -5.4 19.4 21 21 A R - 0 0 24 -2,-0.4 2,-0.5 341,-0.0 -2,-0.1 -0.743 17.2-163.0 -97.2 125.9 39.4 -1.9 17.9 22 22 A T - 0 0 67 -2,-0.5 2,-0.2 462,-0.0 -2,-0.0 -0.899 21.3-137.9 -99.0 123.7 42.5 0.3 17.9 23 23 A F - 0 0 42 -2,-0.5 2,-0.5 336,-0.0 461,-0.1 -0.498 7.5-135.8 -83.0 150.4 41.7 4.0 17.1 24 24 A I - 0 0 21 459,-0.4 2,-0.8 460,-0.2 464,-0.3 -0.934 14.7-138.7-105.7 127.0 43.9 6.0 14.8 25 25 A D E +A 39 0A 14 14,-0.5 14,-3.2 -2,-0.5 2,-0.3 -0.798 36.2 162.9 -91.6 112.4 44.7 9.5 16.1 26 26 A I E -Ab 38 489A 1 462,-2.3 464,-0.7 -2,-0.8 2,-0.4 -0.853 33.5-155.9-128.5 163.2 44.5 12.1 13.2 27 27 A E E -A 37 0A 34 10,-2.0 10,-2.6 -2,-0.3 2,-0.1 -0.911 23.3-141.2-137.5 106.0 44.3 15.8 12.5 28 28 A R E -A 36 0A 20 -2,-0.4 2,-1.1 8,-0.3 8,-0.3 -0.465 19.6-123.8 -68.1 136.4 42.8 16.7 9.2 29 29 A E > - 0 0 86 6,-2.3 3,-2.6 -2,-0.1 446,-0.2 -0.718 25.5-131.9 -87.9 101.7 44.5 19.7 7.6 30 30 A K T 3 S+ 0 0 54 444,-2.6 446,-0.1 -2,-1.1 31,-0.1 -0.229 91.8 21.3 -56.3 133.2 41.8 22.3 6.9 31 31 A G T 3 S+ 0 0 58 444,-0.1 -1,-0.3 4,-0.0 444,-0.1 0.343 120.8 63.4 91.9 -6.5 42.0 23.7 3.4 32 32 A A S X S- 0 0 31 -3,-2.6 3,-2.3 3,-0.2 -2,-0.2 0.173 82.3-175.4-136.5 17.7 44.0 20.6 2.2 33 33 A F T 3 + 0 0 15 1,-0.3 3,-0.1 -4,-0.2 16,-0.1 -0.238 65.9 37.7 -45.1 141.8 41.5 17.8 2.7 34 34 A P T 3 S+ 0 0 12 0, 0.0 16,-2.8 0, 0.0 -1,-0.3 -0.935 100.2 95.3 -90.9 19.2 41.8 14.8 2.4 35 35 A K E < + C 0 49A 86 -3,-2.3 -6,-2.3 14,-0.2 2,-0.3 -0.354 49.9 169.2 -64.9 141.2 45.3 15.3 3.8 36 36 A A E -AC 28 48A 1 12,-2.1 12,-3.1 -8,-0.3 2,-0.5 -0.984 36.6-116.7-148.2 157.8 45.8 14.7 7.6 37 37 A Q E -AC 27 47A 57 -10,-2.6 -10,-2.0 -2,-0.3 2,-0.6 -0.835 27.8-147.4 -91.2 127.3 48.5 14.4 10.1 38 38 A W E -AC 26 46A 21 8,-3.2 8,-1.5 -2,-0.5 2,-1.1 -0.907 4.0-147.0 -95.8 121.1 48.6 10.9 11.6 39 39 A N E -AC 25 45A 26 -14,-3.2 -14,-0.5 -2,-0.6 6,-0.2 -0.778 24.7-147.7 -88.0 93.5 49.8 10.9 15.3 40 40 A R > - 0 0 75 4,-1.8 3,-2.4 -2,-1.1 -16,-0.0 -0.290 20.3-114.9 -65.9 150.7 51.6 7.6 15.4 41 41 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.641 115.9 59.9 -58.3 -16.9 51.7 5.5 18.7 42 42 A D T 3 S- 0 0 112 2,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.443 122.7-102.6 -90.7 -3.0 55.5 6.0 18.7 43 43 A G S < S+ 0 0 68 -3,-2.4 2,-0.1 1,-0.3 -4,-0.0 0.373 80.9 125.4 99.9 -3.9 55.2 9.8 19.0 44 44 A G - 0 0 18 -5,-0.0 -4,-1.8 1,-0.0 2,-0.4 -0.357 52.9-132.1 -85.7 168.2 56.0 10.6 15.3 45 45 A K E +C 39 0A 141 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.968 24.4 177.2-123.6 136.2 54.0 12.6 12.8 46 46 A Q E -C 38 0A 45 -8,-1.5 -8,-3.2 -2,-0.4 2,-0.3 -0.999 30.2-120.9-144.9 133.2 53.2 11.5 9.3 47 47 A D E +C 37 0A 103 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.599 41.4 171.9 -70.7 130.3 51.2 12.9 6.4 48 48 A I E -C 36 0A 4 -12,-3.1 -12,-2.1 -2,-0.3 2,-0.5 -0.853 33.3-120.0-132.3 168.3 48.4 10.6 5.3 49 49 A T E -Cd 35 356A 30 306,-2.7 308,-2.4 -2,-0.3 2,-0.5 -0.975 26.3-133.6-111.2 123.0 45.4 10.6 3.0 50 50 A V E + d 0 357A 8 -16,-2.8 308,-0.1 -2,-0.5 306,-0.0 -0.642 33.9 164.3 -77.9 122.6 42.0 10.0 4.7 51 51 A W + 0 0 2 306,-2.5 325,-2.1 -2,-0.5 307,-0.2 0.285 68.4 47.9-120.4 8.1 40.1 7.5 2.6 52 52 A C S S+ 0 0 0 305,-0.3 306,-0.1 323,-0.2 -2,-0.1 0.375 77.0 123.9-132.5 2.2 37.3 6.4 5.0 53 53 A G - 0 0 12 323,-0.1 428,-0.2 1,-0.1 433,-0.1 -0.062 55.8-139.5 -66.3 164.8 35.9 9.6 6.4 54 54 A N S S+ 0 0 0 426,-3.4 2,-2.6 431,-0.3 197,-0.2 0.332 76.6 104.4-109.6 6.8 32.3 10.6 6.2 55 55 A D > + 0 0 10 425,-0.4 3,-2.2 1,-0.2 194,-0.2 -0.422 57.3 177.2 -80.1 63.9 32.9 14.3 5.5 56 56 A Y T 3 + 0 0 1 -2,-2.6 -1,-0.2 1,-0.3 193,-0.1 0.593 65.9 31.7 -50.9 -29.6 31.8 13.1 2.1 57 57 A L T 3 S- 0 0 4 191,-0.3 -1,-0.3 192,-0.2 192,-0.1 0.263 108.2-108.6-117.1 9.2 31.8 16.4 0.2 58 58 A G S X S+ 0 0 6 -3,-2.2 3,-1.5 1,-0.1 4,-0.2 0.650 73.0 139.0 71.1 18.8 34.6 18.3 1.9 59 59 A M G > + 0 0 0 190,-0.4 3,-1.3 1,-0.3 6,-0.2 0.736 53.5 78.8 -67.9 -21.6 32.1 20.6 3.6 60 60 A G G 3 S+ 0 0 0 1,-0.3 417,-2.8 188,-0.1 -1,-0.3 0.603 104.8 33.0 -60.5 -13.7 34.1 20.5 6.9 61 61 A Q G < S+ 0 0 35 -3,-1.5 -1,-0.3 415,-0.2 -2,-0.2 0.264 86.4 132.2-122.9 3.2 36.6 22.9 5.4 62 62 A H X> - 0 0 36 -3,-1.3 4,-2.5 -4,-0.2 3,-0.6 -0.406 57.9-135.8 -63.6 130.1 34.2 24.9 3.2 63 63 A P H 3> S+ 0 0 95 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.861 102.9 53.9 -60.4 -35.3 34.8 28.7 3.8 64 64 A V H 3> S+ 0 0 63 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.854 110.9 47.0 -68.6 -30.6 31.0 29.5 4.0 65 65 A V H <> S+ 0 0 0 -3,-0.6 4,-1.9 -6,-0.2 -1,-0.2 0.959 116.1 43.6 -69.9 -49.4 30.6 26.8 6.7 66 66 A L H X S+ 0 0 4 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.887 111.1 54.3 -66.3 -39.6 33.7 28.1 8.7 67 67 A A H X S+ 0 0 46 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.926 108.7 49.3 -55.6 -47.8 32.7 31.8 8.3 68 68 A A H X S+ 0 0 26 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.888 112.3 48.5 -64.0 -36.1 29.3 31.1 9.7 69 69 A M H X S+ 0 0 3 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.931 111.3 48.0 -69.0 -46.4 30.8 29.2 12.7 70 70 A H H X S+ 0 0 45 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.908 112.2 51.8 -58.2 -43.7 33.4 32.0 13.4 71 71 A E H X S+ 0 0 132 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.922 109.7 47.6 -57.1 -50.2 30.6 34.6 13.2 72 72 A A H X>S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.8 0.873 107.5 55.5 -65.1 -37.9 28.4 32.7 15.7 73 73 A L H X5S+ 0 0 2 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.940 112.9 43.2 -58.2 -46.3 31.2 32.2 18.2 74 74 A E H <5S+ 0 0 93 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.823 117.8 45.3 -69.0 -34.2 31.8 36.0 18.2 75 75 A A H <5S+ 0 0 47 -4,-2.3 354,-1.6 -5,-0.1 -2,-0.2 0.916 135.7 2.6 -76.7 -44.8 28.1 36.9 18.3 76 76 A V H <5S- 0 0 5 -4,-3.0 3,-0.2 1,-0.3 -3,-0.2 0.479 98.1-120.4-127.2 -7.3 26.8 34.4 21.0 77 77 A G << - 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