==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 11-SEP-05 2C14 . COMPND 2 MOLECULE: DELTA-AMINOLEVULINIC ACID DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR F.FRERE,M.NENTWICH,S.GACOND,D.W.HEINZ,R.NEIER, . 661 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24313.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 480 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.8 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 . 2 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 . 40 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 212 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.4 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 1 0 0 4 0 2 0 4 8 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 5 4 5 2 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 PARALLEL BRIDGES PER LADDER . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 3 A F 0 0 96 0, 0.0 3,-0.0 0, 0.0 567,-0.0 0.000 360.0 360.0 360.0 133.0 128.8 57.1 -16.9 2 4 A T - 0 0 114 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.963 360.0-156.8-114.8 116.4 129.8 58.9 -20.1 3 5 A P > - 0 0 55 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.667 24.7-143.8 -62.6 -18.9 129.2 56.9 -23.3 4 6 A A T 3 - 0 0 73 1,-0.2 -2,-0.0 -3,-0.0 0, 0.0 0.747 51.8 -76.9 58.2 30.4 131.9 58.9 -25.0 5 7 A N T 3 S+ 0 0 159 1,-0.2 -1,-0.2 0, 0.0 2,-0.2 0.727 74.5 173.9 56.8 25.8 130.0 58.9 -28.4 6 8 A R < + 0 0 109 -3,-1.4 2,-0.4 4,-0.1 -1,-0.2 -0.444 7.2 178.4 -65.9 133.9 131.0 55.3 -29.1 7 9 A A >> - 0 0 49 -2,-0.2 4,-1.9 572,-0.0 3,-0.9 -0.991 25.2 -77.6-146.9 133.2 129.2 54.1 -32.3 8 10 A Y T 34 S+ 0 0 69 -2,-0.4 4,-0.1 1,-0.3 505,-0.0 -0.365 107.1 21.0 -52.8 138.8 128.9 51.0 -34.5 9 11 A P T 34 S+ 0 0 54 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.982 125.9 50.1 -95.3 -1.5 130.9 50.1 -36.7 10 12 A Y T <4 S+ 0 0 197 -3,-0.9 2,-0.6 1,-0.2 -2,-0.2 0.923 119.3 44.3 -57.5 -45.4 133.9 52.0 -35.2 11 13 A T < + 0 0 31 -4,-1.9 2,-0.5 4,-0.0 -1,-0.2 -0.932 69.9 170.5 -99.5 117.8 132.9 50.5 -31.8 12 14 A R > - 0 0 58 -2,-0.6 3,-1.9 -4,-0.1 4,-0.4 -0.954 19.1-161.1-122.7 106.0 132.2 46.7 -32.2 13 15 A L T 3 S+ 0 0 22 -2,-0.5 4,-0.5 1,-0.3 3,-0.3 0.707 84.6 70.8 -68.5 -16.1 131.9 45.3 -28.7 14 16 A R T 3> S+ 0 0 4 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.622 78.4 79.9 -68.4 -14.1 132.4 41.7 -30.1 15 17 A R T X4 S+ 0 0 127 -3,-1.9 3,-1.3 1,-0.2 4,-0.4 0.961 95.7 43.5 -62.0 -47.5 136.1 42.5 -30.8 16 18 A N T 34 S+ 0 0 83 -4,-0.4 3,-0.3 -3,-0.3 -1,-0.2 0.755 112.8 54.8 -65.3 -22.0 137.1 42.0 -27.2 17 19 A R T 34 S+ 0 0 8 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.525 85.8 88.9 -83.8 -8.6 134.8 38.8 -27.1 18 20 A R S << S+ 0 0 87 -3,-1.3 2,-0.3 -4,-0.6 -1,-0.2 0.848 91.6 28.0 -61.1 -44.5 136.6 37.3 -30.2 19 21 A D S > S- 0 0 69 -4,-0.4 4,-2.5 -3,-0.3 5,-0.2 -0.910 71.7-125.1-123.8 149.5 139.4 35.4 -28.3 20 22 A D H > S+ 0 0 88 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.926 111.5 56.6 -52.5 -43.8 139.8 33.8 -24.9 21 23 A F H > S+ 0 0 128 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.870 111.2 41.7 -62.9 -39.2 142.9 35.9 -24.3 22 24 A S H > S+ 0 0 10 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.886 111.2 54.0 -78.9 -35.2 141.1 39.2 -24.8 23 25 A R H X S+ 0 0 35 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.922 111.3 49.6 -57.7 -41.7 137.9 38.2 -22.9 24 26 A R H >< S+ 0 0 162 -4,-2.4 3,-0.5 -5,-0.2 -2,-0.2 0.927 108.4 50.8 -64.3 -49.7 140.4 37.4 -20.0 25 27 A L H 3< S+ 0 0 139 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.828 117.7 38.8 -53.3 -44.3 142.2 40.7 -20.2 26 28 A V H 3< S+ 0 0 54 -4,-2.1 -1,-0.2 -10,-0.2 -2,-0.2 0.513 82.2 130.3 -90.7 -5.8 138.9 42.7 -20.0 27 29 A R << - 0 0 84 -4,-1.0 3,-0.1 -3,-0.5 -3,-0.1 -0.237 45.6-156.7 -52.2 123.8 137.2 40.4 -17.5 28 30 A E + 0 0 62 1,-0.1 2,-0.3 535,-0.1 -1,-0.1 0.733 66.0 16.0 -84.0 -22.1 135.8 42.7 -14.8 29 31 A N - 0 0 47 2,-0.0 2,-0.4 538,-0.0 -1,-0.1 -0.995 58.0-165.3-152.5 141.6 135.5 40.4 -11.8 30 32 A V - 0 0 87 -2,-0.3 2,-0.2 282,-0.1 279,-0.0 -0.970 19.3-132.2-138.3 129.6 136.8 37.0 -10.8 31 33 A L - 0 0 14 -2,-0.4 2,-0.3 274,-0.1 278,-0.1 -0.515 29.2-179.8 -72.9 130.5 135.6 34.7 -8.0 32 34 A T > - 0 0 63 -2,-0.2 3,-1.9 1,-0.0 4,-0.1 -0.869 44.3-103.4-120.8 172.0 138.3 33.3 -5.8 33 35 A V G > S+ 0 0 34 -2,-0.3 3,-1.6 1,-0.3 295,-0.1 0.776 115.7 69.9 -63.5 -22.6 138.3 30.9 -2.7 34 36 A D G 3 S+ 0 0 117 1,-0.3 -1,-0.3 44,-0.1 43,-0.0 0.497 90.9 61.5 -75.1 -2.5 138.9 34.0 -0.5 35 37 A D G < S+ 0 0 17 -3,-1.9 284,-2.7 283,-0.1 2,-0.4 0.370 89.4 99.1 -92.3 -0.1 135.3 35.1 -1.3 36 38 A L E < +a 319 0A 0 -3,-1.6 44,-0.8 282,-0.2 2,-0.4 -0.778 42.0 177.3-109.0 132.7 133.8 32.0 0.2 37 39 A I E -ab 320 80A 9 282,-2.3 284,-2.9 -2,-0.4 44,-0.2 -0.996 20.1-147.4-126.1 127.4 132.2 31.3 3.6 38 40 A L E - b 0 81A 13 42,-2.0 44,-2.0 -2,-0.4 2,-0.2 -0.843 6.1-149.1 -98.6 113.7 130.7 27.8 4.3 39 41 A P E - b 0 82A 4 0, 0.0 2,-0.4 0, 0.0 44,-0.2 -0.595 20.0-165.4 -77.3 143.5 127.6 27.6 6.6 40 42 A V E - b 0 83A 11 42,-2.6 44,-2.7 -2,-0.2 2,-0.6 -0.989 18.5-135.8-136.2 137.0 127.5 24.3 8.5 41 43 A F E - b 0 84A 3 18,-0.5 20,-2.6 -2,-0.4 2,-0.5 -0.874 25.1-156.8 -97.5 122.3 124.7 22.6 10.5 42 44 A V E -cb 61 85A 1 42,-2.1 44,-2.8 -2,-0.6 2,-0.2 -0.880 5.2-161.6-111.6 120.7 126.0 21.3 13.8 43 45 A L E -c 62 0A 12 18,-1.8 20,-0.7 -2,-0.5 5,-0.1 -0.644 21.2-115.8 -92.5 152.7 124.4 18.4 15.8 44 46 A D S S+ 0 0 58 42,-0.5 2,-0.1 -2,-0.2 -1,-0.1 -0.318 76.0 35.6 -67.6 163.0 124.8 17.5 19.4 45 47 A G S S- 0 0 39 -2,-0.1 18,-0.4 17,-0.1 19,-0.4 -0.384 88.5 -62.2 93.4-166.2 126.3 14.1 20.2 46 48 A V S S+ 0 0 104 1,-0.2 -2,-0.1 16,-0.1 17,-0.0 -0.970 101.5 4.7-132.2 139.6 129.1 11.9 18.7 47 49 A N S S+ 0 0 113 -2,-0.4 2,-0.5 1,-0.2 -1,-0.2 0.867 85.2 151.1 57.9 45.2 129.5 10.2 15.3 48 50 A Q + 0 0 84 -3,-0.1 14,-2.3 -5,-0.1 2,-0.4 -0.928 17.4 166.3-112.8 126.6 126.2 11.8 13.9 49 51 A R E -D 61 0A 88 -2,-0.5 2,-0.4 12,-0.2 12,-0.2 -0.991 10.0-177.0-136.6 129.4 125.7 12.5 10.2 50 52 A E E -D 60 0A 70 10,-2.2 10,-2.6 -2,-0.4 -2,-0.0 -0.963 19.4-134.7-135.7 123.9 122.2 13.4 8.9 51 53 A S E -D 59 0A 96 -2,-0.4 8,-0.2 8,-0.2 -2,-0.0 -0.247 13.5-141.5 -64.1 153.9 121.0 14.1 5.3 52 54 A I > - 0 0 8 6,-0.9 3,-1.4 3,-0.4 6,-0.3 -0.961 4.2-157.7-121.6 107.8 118.6 17.0 4.6 53 55 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.2 0, 0.0 575,-0.1 0.901 94.3 47.9 -56.8 -40.9 116.0 16.1 2.0 54 56 A S T 3 S+ 0 0 6 1,-0.2 158,-0.1 157,-0.1 234,-0.1 0.511 115.0 47.6 -78.0 -5.6 115.3 19.8 1.0 55 57 A M S X S- 0 0 0 -3,-1.4 3,-2.2 3,-0.2 -3,-0.4 -0.607 87.1-155.0-128.0 71.8 119.1 20.5 0.7 56 58 A P T 3 S+ 0 0 18 0, 0.0 3,-0.1 0, 0.0 235,-0.0 -0.235 78.2 18.6 -55.5 128.4 120.3 17.6 -1.3 57 59 A G T 3 S+ 0 0 72 1,-0.3 2,-0.4 -5,-0.1 -6,-0.0 0.415 98.8 110.6 94.5 -3.1 124.1 16.9 -0.6 58 60 A V < - 0 0 20 -3,-2.2 -6,-0.9 -6,-0.3 2,-0.4 -0.912 48.7-162.7-109.1 134.8 124.2 18.9 2.7 59 61 A E E - D 0 51A 74 -2,-0.4 -18,-0.5 -8,-0.2 2,-0.3 -0.939 19.7-133.9-119.8 137.1 124.7 17.0 6.0 60 62 A R E - D 0 50A 50 -10,-2.6 -10,-2.2 -2,-0.4 2,-0.4 -0.690 37.7-163.3 -72.9 140.1 124.1 18.0 9.6 61 63 A L E -cD 42 49A 10 -20,-2.6 -18,-1.8 -2,-0.3 -12,-0.2 -0.995 19.9-126.4-133.8 137.1 127.3 16.9 11.5 62 64 A S E >> -c 43 0A 0 -14,-2.3 4,-2.7 -2,-0.4 3,-0.6 -0.325 44.3 -98.4 -66.2 161.2 128.2 16.3 15.1 63 65 A I H 3> S+ 0 0 27 -20,-0.7 4,-2.6 -18,-0.4 5,-0.2 0.875 123.0 53.9 -53.3 -45.0 131.4 18.2 16.3 64 66 A D H 3> S+ 0 0 46 -19,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.888 113.4 42.6 -55.9 -42.2 133.7 15.2 15.9 65 67 A Q H <> S+ 0 0 25 -3,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.862 111.1 56.2 -74.4 -39.7 132.5 14.8 12.3 66 68 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.888 105.6 51.9 -51.4 -47.4 132.7 18.6 11.7 67 69 A L H X S+ 0 0 44 -4,-2.6 4,-0.7 2,-0.2 -2,-0.2 0.877 110.7 48.0 -63.7 -39.2 136.4 18.5 12.8 68 70 A I H >X S+ 0 0 90 -4,-1.4 3,-1.1 -5,-0.2 4,-0.5 0.955 112.9 46.2 -62.8 -52.4 137.2 15.7 10.3 69 71 A E H >X S+ 0 0 47 -4,-2.6 4,-1.4 1,-0.2 3,-1.1 0.843 102.4 66.3 -61.2 -35.7 135.4 17.4 7.4 70 72 A A H 3X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.3 5,-0.3 0.745 85.1 72.6 -61.0 -27.4 137.1 20.8 8.2 71 73 A E H S+ 0 0 18 -4,-1.4 5,-2.0 2,-0.2 4,-0.3 0.924 113.0 43.6 -57.5 -43.6 137.8 22.8 3.9 74 76 A V H ><5S+ 0 0 62 -4,-2.9 3,-1.5 2,-0.2 -2,-0.2 0.897 111.4 53.0 -66.5 -41.9 141.1 24.2 5.3 75 77 A A H 3<5S+ 0 0 59 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.869 106.7 54.7 -62.7 -35.0 143.1 22.3 2.6 76 78 A L T 3<5S- 0 0 13 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.595 117.4-116.4 -70.4 -11.1 140.9 23.9 0.0 77 79 A G T < 5 + 0 0 32 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.612 53.2 164.2 81.6 12.7 141.7 27.4 1.4 78 80 A I < - 0 0 4 -5,-2.0 -1,-0.2 1,-0.1 -44,-0.1 -0.510 28.4-151.2 -64.8 119.0 138.1 28.2 2.5 79 81 A P + 0 0 48 0, 0.0 42,-2.6 0, 0.0 2,-0.3 0.774 61.4 6.4 -69.4 -27.3 138.7 31.2 4.9 80 82 A A E -be 37 121A 11 -44,-0.8 -42,-2.0 40,-0.2 2,-0.4 -0.991 52.4-142.3-156.6 155.3 135.7 30.8 7.3 81 83 A L E -be 38 122A 0 40,-2.3 42,-2.8 -2,-0.3 2,-0.6 -0.921 13.5-145.6-116.3 144.1 132.7 28.8 8.5 82 84 A A E -be 39 123A 3 -44,-2.0 -42,-2.6 -2,-0.4 2,-0.4 -0.971 25.2-142.9-106.1 117.4 129.3 30.1 9.6 83 85 A L E -b 40 0A 2 40,-2.3 42,-0.4 -2,-0.6 -42,-0.2 -0.671 20.3-178.1 -88.8 131.2 128.1 27.8 12.4 84 86 A F E -b 41 0A 3 -44,-2.7 -42,-2.1 -2,-0.4 2,-0.1 -0.901 16.9-148.9-126.7 103.8 124.4 27.0 12.7 85 87 A P E -b 42 0A 8 0, 0.0 2,-0.8 0, 0.0 -42,-0.2 -0.419 9.5-138.1 -72.6 144.9 123.5 24.6 15.7 86 88 A V - 0 0 13 -44,-2.8 -42,-0.5 -2,-0.1 131,-0.1 -0.868 28.2-145.0 -99.8 94.1 120.6 22.2 15.5 87 89 A T - 0 0 11 -2,-0.8 5,-0.1 129,-0.4 -44,-0.0 -0.394 15.2-114.9 -70.1 129.0 119.1 22.7 19.0 88 90 A P > - 0 0 25 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.352 28.1-117.2 -57.1 144.1 117.6 19.6 20.6 89 91 A V G > S+ 0 0 114 1,-0.3 3,-1.7 2,-0.2 -2,-0.1 0.880 112.0 57.5 -52.7 -43.3 113.8 20.0 21.1 90 92 A E G 3 S+ 0 0 144 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.653 99.2 60.5 -67.2 -14.4 114.0 19.8 24.9 91 93 A K G < S+ 0 0 72 -3,-1.7 7,-0.4 2,-0.1 2,-0.3 0.394 81.2 102.2 -93.2 1.0 116.4 22.8 25.1 92 94 A K < + 0 0 19 -3,-1.7 2,-0.3 -4,-0.3 40,-0.2 -0.647 49.1 159.7 -84.3 142.0 113.9 25.2 23.4 93 95 A S B > -k 132 0B 32 38,-2.6 40,-0.6 -2,-0.3 3,-0.5 -0.947 54.3-100.5-153.4 168.2 112.2 27.5 25.9 94 96 A L T 3 S+ 0 0 127 -2,-0.3 46,-0.2 1,-0.2 -1,-0.1 0.918 121.7 44.6 -57.7 -45.4 110.3 30.8 26.2 95 97 A D T 3 S- 0 0 89 44,-0.1 -1,-0.2 -3,-0.1 37,-0.1 0.418 96.6-136.4 -87.3 -1.9 113.4 32.6 27.4 96 98 A A X + 0 0 0 -3,-0.5 3,-2.0 35,-0.4 4,-0.3 0.747 45.0 157.9 52.0 32.8 115.9 31.2 24.9 97 99 A A G > + 0 0 32 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.776 61.9 69.9 -56.8 -34.0 118.4 30.6 27.7 98 100 A E G > S+ 0 0 25 -7,-0.4 3,-1.1 1,-0.3 -1,-0.3 0.720 80.9 77.8 -57.6 -25.2 120.3 28.0 25.7 99 101 A A G < S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.872 105.1 31.6 -51.5 -42.2 121.5 30.8 23.4 100 102 A Y G < S+ 0 0 51 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.244 84.5 131.5-105.7 15.0 124.1 31.8 26.0 101 103 A N X - 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