==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-NOV-07 3BAL . COMPND 2 MOLECULE: ACETYLACETONE-CLEAVING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER JOHNSONII; . AUTHOR G.R.STRANZL,U.G.WAGNER,G.STRAGANZ,W.STEINER,C.KRATKY . 596 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23357.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 440 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 264 44.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 72 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 16 4 12 4 4 4 4 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 0 131 0, 0.0 464,-2.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-123.5 46.5 -12.5 33.5 2 2 A D - 0 0 103 462,-0.2 461,-0.2 1,-0.1 464,-0.1 -0.724 360.0 -70.8-120.9 169.0 46.4 -9.2 31.7 3 3 A Y - 0 0 27 -2,-0.2 2,-0.6 484,-0.2 486,-0.1 -0.263 49.0-130.3 -55.0 137.5 45.4 -7.6 28.3 4 4 A C - 0 0 36 484,-0.4 486,-0.3 -3,-0.0 -1,-0.1 -0.850 16.0-130.8 -99.5 115.9 47.8 -8.6 25.5 5 5 A N - 0 0 107 -2,-0.6 2,-0.3 484,-0.1 -1,-0.0 -0.312 26.5-158.6 -60.9 142.9 49.2 -5.7 23.4 6 6 A K - 0 0 35 583,-0.0 2,-0.3 485,-0.0 485,-0.1 -0.913 6.2-148.2-126.5 152.8 48.9 -6.4 19.6 7 7 A K - 0 0 187 -2,-0.3 3,-0.1 1,-0.1 582,-0.0 -0.793 40.5 -77.2-116.5 162.5 50.6 -4.9 16.6 8 8 A H - 0 0 79 -2,-0.3 2,-0.1 1,-0.1 485,-0.1 -0.312 53.1-113.5 -56.3 130.3 49.4 -4.3 13.0 9 9 A T - 0 0 26 483,-0.4 240,-0.2 241,-0.3 -1,-0.1 -0.471 37.7-105.3 -68.2 139.0 49.3 -7.6 11.1 10 10 A A - 0 0 67 -2,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.359 29.6-122.0 -67.8 143.5 51.9 -7.6 8.2 11 11 A E - 0 0 52 237,-0.1 2,-0.3 238,-0.1 237,-0.2 -0.471 30.1-145.9 -80.4 157.3 50.7 -7.2 4.6 12 12 A E E -A 247 0A 9 235,-2.8 235,-2.0 -2,-0.1 2,-0.4 -0.950 18.4-169.8-132.0 151.6 51.5 -10.0 2.1 13 13 A Y E -A 246 0A 19 -2,-0.3 2,-0.4 233,-0.2 233,-0.2 -0.997 8.9-178.3-136.1 128.6 52.3 -10.4 -1.5 14 14 A V E -A 245 0A 5 231,-2.6 231,-2.8 -2,-0.4 2,-0.3 -0.940 17.0-147.7-133.6 111.5 52.4 -13.8 -3.3 15 15 A K E -A 244 0A 60 436,-1.8 2,-0.9 -2,-0.4 229,-0.2 -0.595 18.8-135.9 -75.6 134.0 53.4 -14.2 -6.9 16 16 A I - 0 0 4 227,-1.9 2,-0.3 -2,-0.3 -1,-0.1 -0.816 29.9-179.9 -96.7 106.3 51.5 -17.2 -8.5 17 17 A S > - 0 0 43 -2,-0.9 3,-1.5 1,-0.1 4,-0.2 -0.789 37.2-129.7-108.3 148.6 53.9 -19.2 -10.6 18 18 A D G > S+ 0 0 132 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.868 105.8 66.3 -59.7 -36.3 53.3 -22.3 -12.6 19 19 A N G 3 S+ 0 0 149 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.625 94.7 58.4 -60.3 -18.6 56.3 -23.9 -10.9 20 20 A N G < S+ 0 0 34 -3,-1.5 2,-0.3 2,-0.1 -1,-0.2 0.408 72.6 109.9 -98.2 2.6 54.6 -24.0 -7.5 21 21 A Y < - 0 0 30 -3,-1.5 15,-0.2 -4,-0.2 30,-0.1 -0.630 49.0-172.2 -76.9 133.7 51.5 -26.0 -8.2 22 22 A V E -G 35 0B 13 13,-2.4 13,-2.7 -2,-0.3 127,-0.1 -0.870 33.6 -81.3-124.1 159.6 51.8 -29.4 -6.5 23 23 A P E -G 34 0B 88 0, 0.0 11,-0.3 0, 0.0 3,-0.1 -0.358 44.1-126.4 -61.6 135.2 49.6 -32.5 -6.7 24 24 A F - 0 0 32 9,-2.9 9,-0.1 1,-0.1 5,-0.1 -0.624 46.4 -79.5 -79.8 140.8 46.5 -32.3 -4.4 25 25 A P > - 0 0 40 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.112 32.8-141.5 -47.2 128.2 46.2 -35.3 -2.0 26 26 A E G > S+ 0 0 182 1,-0.3 3,-0.8 2,-0.2 -2,-0.1 0.711 97.0 69.3 -63.7 -22.7 44.8 -38.4 -3.7 27 27 A A G 3 S+ 0 0 84 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.845 108.4 35.1 -66.5 -30.6 42.9 -39.3 -0.6 28 28 A F G < S+ 0 0 44 -3,-1.2 32,-2.7 32,-0.1 2,-0.3 0.154 121.0 29.7-112.0 19.2 40.5 -36.3 -1.2 29 29 A S E < -M 59 0C 20 -3,-0.8 2,-0.3 30,-0.3 30,-0.2 -0.960 59.5-135.1-161.6 175.0 40.3 -36.1 -5.0 30 30 A D E +M 58 0C 103 28,-2.4 28,-2.3 -2,-0.3 2,-0.1 -0.991 69.5 30.2-142.4 134.5 40.3 -37.9 -8.3 31 31 A G S S- 0 0 42 -2,-0.3 2,-1.9 26,-0.2 25,-0.1 -0.310 109.1 -55.1 101.6 168.6 42.1 -36.9 -11.5 32 32 A G + 0 0 53 23,-0.2 2,-0.2 -2,-0.1 -1,-0.1 -0.323 69.2 170.5 -82.7 61.4 45.3 -34.9 -11.6 33 33 A I - 0 0 2 -2,-1.9 -9,-2.9 25,-0.2 2,-0.3 -0.502 9.9-171.4 -72.5 133.9 44.3 -31.9 -9.5 34 34 A T E +GH 23 52B 42 18,-2.4 18,-2.6 -11,-0.3 2,-0.3 -0.891 8.5 172.9-122.0 154.6 47.1 -29.6 -8.6 35 35 A W E -GH 22 51B 4 -13,-2.7 -13,-2.4 -2,-0.3 2,-0.3 -0.903 25.8-140.8-151.5 180.0 47.0 -26.6 -6.2 36 36 A Q E - H 0 50B 5 14,-1.5 14,-2.1 -2,-0.3 2,-0.5 -0.951 18.7-136.7-150.5 126.5 48.7 -23.8 -4.3 37 37 A L E + H 0 49B 2 -2,-0.3 12,-0.2 12,-0.2 416,-0.2 -0.759 24.9 178.3 -83.5 127.6 48.0 -22.6 -0.8 38 38 A L E - 0 0 0 10,-3.0 416,-0.4 -2,-0.5 2,-0.3 0.749 55.6 -2.4-102.7 -32.7 48.1 -18.8 -0.9 39 39 A H E - H 0 48B 0 9,-1.6 9,-2.7 414,-0.1 2,-0.4 -0.975 47.7-160.9-164.3 148.5 47.3 -17.6 2.6 40 40 A S E - H 0 47B 1 414,-0.3 7,-0.2 -2,-0.3 414,-0.0 -0.999 5.0-162.3-134.2 131.3 46.4 -18.7 6.1 41 41 A S E >> - H 0 46B 3 5,-3.2 4,-3.4 -2,-0.4 5,-0.8 -0.864 9.2-178.3-113.9 93.4 44.8 -16.6 8.9 42 42 A P T 45S+ 0 0 10 0, 0.0 358,-0.5 0, 0.0 417,-0.4 0.740 82.3 48.9 -63.5 -24.9 45.4 -18.6 12.1 43 43 A E T 45S+ 0 0 13 356,-0.1 357,-0.2 1,-0.1 -2,-0.1 0.903 122.1 31.6 -81.2 -44.7 43.6 -16.0 14.2 44 44 A T T 45S- 0 0 16 2,-0.1 -1,-0.1 322,-0.1 3,-0.1 0.833 101.2-130.9 -79.7 -35.7 40.5 -15.8 12.0 45 45 A S T <5 + 0 0 3 -4,-3.4 76,-1.8 1,-0.3 93,-0.3 0.581 62.7 130.1 89.4 19.0 40.7 -19.5 10.9 46 46 A S E < -HI 41 120B 18 -5,-0.8 -5,-3.2 74,-0.2 -1,-0.3 -0.665 33.6-175.3 -99.9 157.3 40.3 -18.5 7.2 47 47 A W E -HI 40 119B 9 72,-2.3 72,-3.1 -2,-0.2 2,-0.4 -0.980 11.4-146.5-149.5 158.0 42.6 -19.7 4.3 48 48 A T E +HI 39 118B 0 -9,-2.7 -10,-3.0 -2,-0.3 -9,-1.6 -0.990 20.6 161.8-134.2 137.6 43.0 -19.1 0.6 49 49 A A E -HI 37 117B 0 68,-2.5 68,-2.7 -2,-0.4 2,-0.4 -0.954 25.8-137.4-149.3 165.2 44.0 -21.3 -2.4 50 50 A I E -HI 36 116B 1 -14,-2.1 -14,-1.5 -2,-0.3 2,-0.4 -0.972 20.5-157.7-127.3 141.4 44.0 -21.7 -6.1 51 51 A F E -HI 35 115B 8 64,-2.8 64,-1.8 -2,-0.4 2,-0.5 -0.951 15.2-159.4-128.3 142.6 43.4 -24.9 -8.1 52 52 A N E -HI 34 114B 40 -18,-2.6 -18,-2.4 -2,-0.4 62,-0.2 -0.978 22.8-169.0-114.1 119.5 44.1 -26.3 -11.6 53 53 A C E - I 0 113B 1 60,-2.6 60,-2.9 -2,-0.5 -20,-0.1 -0.943 12.9-139.7-121.1 121.0 41.7 -29.2 -12.5 54 54 A P > - 0 0 36 0, 0.0 3,-1.7 0, 0.0 55,-0.2 -0.161 44.5 -78.9 -66.3 165.1 42.0 -31.6 -15.5 55 55 A A T 3 S+ 0 0 67 1,-0.3 -23,-0.2 55,-0.1 56,-0.1 -0.465 120.0 20.9 -66.8 135.1 39.0 -32.6 -17.5 56 56 A G T 3 S+ 0 0 34 53,-2.8 -1,-0.3 1,-0.3 2,-0.1 0.430 94.4 133.3 87.7 -0.8 37.1 -35.3 -15.6 57 57 A S E < + N 0 109C 0 -3,-1.7 52,-2.7 52,-0.7 2,-0.3 -0.358 26.8 171.0 -83.5 163.6 38.5 -34.5 -12.2 58 58 A S E -MN 30 108C 5 -28,-2.3 -28,-2.4 50,-0.2 2,-0.3 -0.972 28.9-110.5-160.9 169.4 36.7 -34.0 -8.9 59 59 A F E -M 29 0C 16 48,-1.4 -30,-0.3 -2,-0.3 48,-0.2 -0.817 38.8-102.9-109.2 150.7 37.0 -33.6 -5.1 60 60 A A - 0 0 32 -32,-2.7 47,-0.2 -2,-0.3 46,-0.1 -0.264 57.1 -73.8 -66.4 159.1 36.0 -36.2 -2.4 61 61 A S + 0 0 45 65,-0.2 65,-1.5 45,-0.1 2,-0.3 -0.283 67.7 154.5 -58.8 132.2 32.7 -35.7 -0.5 62 62 A H E -QR 104 125D 9 42,-1.6 42,-2.9 63,-0.3 2,-0.4 -0.986 37.4-131.5-156.7 165.1 32.8 -32.9 2.0 63 63 A I E -QR 103 124D 53 61,-2.0 61,-2.8 -2,-0.3 2,-0.7 -0.962 24.7-127.2-122.1 136.5 30.8 -30.3 4.0 64 64 A H E - R 0 123D 5 38,-2.1 37,-4.0 -2,-0.4 38,-0.2 -0.757 14.8-165.5 -85.0 116.4 31.7 -26.6 4.3 65 65 A A S S+ 0 0 15 57,-2.2 -1,-0.2 -2,-0.7 58,-0.1 0.793 75.5 11.0 -71.1 -28.4 31.7 -25.7 8.0 66 66 A G S S- 0 0 3 56,-0.4 35,-0.2 54,-0.3 279,-0.1 -0.816 103.5 -58.7-138.9 178.6 31.7 -22.0 7.2 67 67 A P - 0 0 19 0, 0.0 53,-1.6 0, 0.0 2,-0.3 -0.302 46.9-171.5 -65.6 144.8 31.2 -19.7 4.1 68 68 A G E -JK 98 119B 1 30,-2.4 30,-2.7 51,-0.2 2,-0.4 -0.990 6.9-158.3-136.6 143.9 33.4 -20.1 1.1 69 69 A E E -JK 97 118B 20 49,-1.9 49,-1.9 -2,-0.3 2,-0.3 -0.986 9.1-165.7-128.0 128.1 33.7 -17.9 -2.1 70 70 A Y E -JK 96 117B 3 26,-1.9 26,-1.8 -2,-0.4 2,-0.5 -0.863 16.3-161.4-119.2 148.9 35.1 -18.9 -5.5 71 71 A F E -JK 95 116B 4 45,-2.9 45,-2.2 -2,-0.3 2,-0.8 -0.939 16.7-154.2-122.8 102.1 36.2 -17.1 -8.6 72 72 A L E +JK 94 115B 0 22,-1.9 22,-1.4 -2,-0.5 43,-0.2 -0.708 18.3 174.5 -80.5 111.0 36.2 -19.6 -11.6 73 73 A T E + 0 0 37 41,-1.3 2,-0.3 -2,-0.8 42,-0.2 0.671 63.1 17.0 -92.8 -18.6 38.8 -18.1 -14.0 74 74 A K E S- K 0 114B 116 40,-1.8 40,-2.4 20,-0.1 -1,-0.2 -0.988 105.7 -1.3-155.8 142.7 38.8 -20.9 -16.5 75 75 A G S S- 0 0 18 -2,-0.3 17,-2.2 38,-0.3 2,-0.3 -0.560 83.3 -61.8 89.3-146.6 36.7 -23.9 -17.5 76 76 A K E -O 91 0C 65 35,-0.5 35,-0.5 -2,-0.2 2,-0.4 -0.991 37.2-161.3-148.3 143.5 33.4 -25.1 -16.0 77 77 A M E -O 90 0C 6 13,-1.9 13,-2.9 -2,-0.3 2,-0.8 -0.984 9.8-150.2-136.2 124.9 32.5 -26.5 -12.5 78 78 A E E -OP 89 108C 44 30,-2.9 30,-1.7 -2,-0.4 2,-0.4 -0.829 23.0-174.9 -95.4 107.9 29.5 -28.5 -11.4 79 79 A V E > +O 88 0C 3 9,-3.0 9,-2.6 -2,-0.8 3,-1.3 -0.851 64.4 2.2-107.0 139.2 28.6 -27.7 -7.8 80 80 A R T 3 S- 0 0 58 -2,-0.4 -1,-0.2 1,-0.3 7,-0.1 0.867 142.3 -41.3 56.6 38.9 26.0 -29.5 -5.7 81 81 A G T 3 S- 0 0 29 -3,-0.4 -1,-0.3 6,-0.1 4,-0.2 0.349 97.4-101.1 94.0 -6.4 25.2 -31.8 -8.6 82 82 A G X > - 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