==== 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 LYASE 27-NOV-07 3BH3 . COMPND 2 MOLECULE: ACETOACETATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHROMOBACTERIUM VIOLACEUM ATCC 12472; . AUTHOR M.HO,K.N.ALLEN . 977 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39514.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 731 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 423 43.3 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 . 107 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 3 0 7 1 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 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 0 0 PARALLEL BRIDGES PER LADDER . 1 11 0 4 4 0 4 20 0 4 0 4 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 0 0 0 0 0 0 0 0 4 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 26 0, 0.0 294,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 123.2 -5.1 -25.6 -44.9 2 2 A K > - 0 0 141 292,-0.2 4,-1.8 1,-0.1 3,-0.5 -0.038 360.0-105.5 -64.4 159.6 -6.1 -29.0 -46.4 3 3 A Q H > S+ 0 0 78 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.830 120.9 53.7 -50.8 -38.3 -7.5 -31.9 -44.4 4 4 A Q H > S+ 0 0 95 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.855 105.5 50.7 -67.8 -40.3 -4.1 -33.7 -44.6 5 5 A E H > S+ 0 0 74 -3,-0.5 4,-2.1 2,-0.2 5,-0.2 0.845 105.2 59.7 -63.4 -35.3 -2.2 -30.8 -43.2 6 6 A V H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.957 109.0 41.6 -59.1 -50.4 -4.6 -30.7 -40.3 7 7 A R H < S+ 0 0 107 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.781 115.0 51.7 -65.4 -31.2 -3.8 -34.3 -39.3 8 8 A Q H < S+ 0 0 148 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.795 117.4 37.5 -77.0 -31.4 -0.1 -33.8 -39.8 9 9 A R H < S+ 0 0 119 -4,-2.1 -2,-0.2 -3,-0.2 -1,-0.2 0.695 88.8 115.7 -92.3 -21.0 0.0 -30.7 -37.7 10 10 A A < + 0 0 7 -4,-1.8 3,-0.1 -5,-0.2 6,-0.0 -0.269 22.6 125.5 -61.3 121.2 -2.5 -31.8 -35.0 11 11 A F S S- 0 0 26 1,-0.4 2,-0.3 -2,-0.1 -1,-0.2 0.422 73.9 -10.8-135.7 -63.9 -0.9 -32.2 -31.6 12 12 A A S S- 0 0 0 3,-0.2 -1,-0.4 2,-0.2 5,-0.2 -0.962 88.4 -58.3-139.9 158.8 -2.8 -30.1 -29.0 13 13 A M S S+ 0 0 0 403,-0.6 6,-2.3 -2,-0.3 7,-0.1 -0.551 111.8 46.2 -78.9 146.1 -5.5 -27.5 -29.1 14 14 A P S > S- 0 0 11 0, 0.0 3,-2.3 0, 0.0 -2,-0.2 0.584 82.3-148.6 -68.7 133.8 -5.5 -24.7 -30.5 15 15 A L T 3 S+ 0 0 9 1,-0.3 -3,-0.2 399,-0.3 -4,-0.1 0.809 93.5 40.6 -34.0 -52.6 -4.2 -26.4 -33.6 16 16 A T T 3 S+ 0 0 41 1,-0.2 -1,-0.3 324,-0.1 -3,-0.1 0.457 132.3 22.6 -86.6 -1.6 -2.2 -23.3 -34.8 17 17 A S S < S- 0 0 19 -3,-2.3 -1,-0.2 -5,-0.2 -2,-0.1 -0.346 88.2-149.5-160.7 63.7 -0.9 -22.3 -31.3 18 18 A P - 0 0 53 0, 0.0 -5,-0.1 0, 0.0 -3,-0.1 0.002 19.0-125.1 -54.7 146.5 -1.0 -25.4 -29.0 19 19 A A S S+ 0 0 11 -6,-2.3 88,-0.2 1,-0.1 87,-0.1 0.656 97.4 11.2 -66.2 -14.6 -1.5 -24.9 -25.3 20 20 A F S S- 0 0 3 -7,-0.1 -1,-0.1 86,-0.1 52,-0.1 -0.965 82.5-122.2-155.0 153.5 1.7 -26.9 -24.7 21 21 A P - 0 0 44 0, 0.0 -2,-0.0 0, 0.0 2,-0.0 -0.511 31.0 -92.9 -95.1 167.3 4.5 -28.0 -27.0 22 22 A P - 0 0 83 0, 0.0 400,-0.0 0, 0.0 -11,-0.0 -0.259 58.7-148.0 -63.7 162.7 6.0 -31.5 -27.7 23 23 A G - 0 0 42 2,-0.1 2,-0.1 48,-0.0 48,-0.1 0.177 69.7-173.0 -79.6-156.2 9.0 -32.7 -25.7 24 24 A P - 0 0 108 0, 0.0 2,-1.1 0, 0.0 211,-0.1 0.369 55.1-148.6 -68.9 144.5 11.4 -33.8 -24.6 25 25 A Y E -A 234 0A 4 209,-0.7 209,-2.2 -2,-0.1 2,-0.4 -0.717 20.1-174.2 -86.3 100.1 10.4 -32.5 -21.2 26 26 A R E -A 233 0A 71 -2,-1.1 44,-2.0 207,-0.2 2,-0.4 -0.768 8.3-161.2 -99.1 139.8 13.6 -31.7 -19.4 27 27 A F E -AB 232 69A 1 205,-3.0 205,-2.1 -2,-0.4 2,-0.4 -0.986 2.2-166.4-122.3 125.4 13.7 -30.5 -15.8 28 28 A V E S- B 0 68A 38 40,-2.4 40,-0.5 -2,-0.4 203,-0.2 -0.943 73.3 -1.3-114.5 133.5 16.6 -28.8 -14.1 29 29 A N E S- 0 0 74 -2,-0.4 2,-0.2 1,-0.2 202,-0.2 0.833 74.6-177.6 54.4 42.7 16.8 -28.4 -10.3 30 30 A R E -A 230 0A 23 200,-2.5 200,-2.0 -3,-0.2 2,-0.5 -0.537 12.5-154.9 -58.3 126.3 13.6 -30.1 -9.5 31 31 A E E -AC 229 65A 49 34,-2.6 34,-2.9 -2,-0.2 2,-0.4 -0.972 11.4-169.5-118.1 126.8 13.3 -29.8 -5.7 32 32 A Y E -AC 228 64A 14 196,-2.4 196,-1.5 -2,-0.5 2,-0.4 -0.862 20.8-174.3-114.4 139.0 11.2 -32.4 -3.7 33 33 A M E -AC 227 63A 0 30,-2.4 30,-2.3 -2,-0.4 2,-0.5 -0.985 20.1-176.1-119.0 117.9 9.9 -32.6 -0.2 34 34 A I E -AC 226 62A 9 192,-3.2 192,-2.3 -2,-0.4 2,-0.5 -0.971 9.8-169.7-118.1 121.5 8.3 -36.0 0.2 35 35 A I E -AC 225 61A 0 26,-3.3 26,-3.5 -2,-0.5 2,-0.5 -0.943 9.6-157.7-104.5 125.9 6.5 -37.0 3.5 36 36 A T E +AC 224 60A 12 188,-2.1 187,-2.7 -2,-0.5 188,-1.6 -0.912 17.5 175.3-106.4 124.3 5.5 -40.6 3.7 37 37 A Y E -AC 222 59A 0 22,-2.5 22,-2.5 -2,-0.5 2,-0.4 -0.891 32.1-115.1-126.7 156.3 2.8 -41.5 6.1 38 38 A R E +AC 221 58A 102 183,-2.5 182,-2.0 -2,-0.3 183,-1.3 -0.732 40.1 179.0 -85.1 137.2 0.7 -44.6 7.1 39 39 A T - 0 0 1 18,-2.6 180,-0.1 -2,-0.4 178,-0.1 -0.706 40.3 -68.4-128.6-179.7 -2.9 -44.3 6.3 40 40 A D >> - 0 0 71 -2,-0.2 4,-1.1 178,-0.2 3,-0.9 -0.630 38.0-144.6 -72.5 125.5 -6.1 -46.5 6.6 41 41 A P H 3> S+ 0 0 57 0, 0.0 4,-2.3 0, 0.0 3,-0.3 0.862 101.4 56.3 -59.2 -36.4 -5.8 -49.4 4.2 42 42 A A H 3> S+ 0 0 58 1,-0.2 4,-1.2 2,-0.2 -2,-0.0 0.758 101.1 58.4 -64.4 -26.3 -9.5 -49.3 3.5 43 43 A A H <4 S+ 0 0 16 -3,-0.9 4,-0.3 2,-0.2 -1,-0.2 0.815 109.4 43.2 -75.7 -33.7 -9.1 -45.6 2.5 44 44 A I H >X S+ 0 0 0 -4,-1.1 4,-1.6 -3,-0.3 3,-1.4 0.869 109.9 56.2 -71.2 -44.3 -6.6 -46.6 -0.2 45 45 A E H 3< S+ 0 0 130 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.826 100.1 61.3 -62.1 -28.5 -8.7 -49.6 -1.3 46 46 A A T 3< S+ 0 0 60 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.777 117.3 27.9 -63.9 -26.3 -11.6 -47.1 -1.9 47 47 A V T <4 S+ 0 0 23 -3,-1.4 -2,-0.2 -4,-0.3 -1,-0.2 0.480 91.6 100.8-119.3 -8.2 -9.5 -45.2 -4.6 48 48 A L < - 0 0 13 -4,-1.6 2,-0.3 3,-0.0 6,-0.1 -0.740 64.0-141.0 -85.7 115.5 -7.1 -47.7 -6.2 49 49 A P > - 0 0 0 0, 0.0 3,-1.8 0, 0.0 198,-0.2 -0.597 29.4 -95.7 -79.8 131.8 -8.4 -49.0 -9.6 50 50 A E T 3 S+ 0 0 89 196,-2.0 201,-0.1 -2,-0.3 3,-0.1 -0.481 107.8 49.0 -67.1 154.2 -7.9 -52.6 -10.5 51 51 A P T 3 S+ 0 0 27 0, 0.0 -1,-0.3 0, 0.0 36,-0.3 -0.984 101.0 88.7 -76.1 7.8 -5.8 -54.1 -12.1 52 52 A L < - 0 0 8 -3,-1.8 2,-0.4 34,-0.1 34,-0.2 -0.368 69.8-146.0 -66.1 145.6 -3.5 -52.1 -9.9 53 53 A Q E -D 85 0A 99 32,-2.6 32,-3.2 -3,-0.1 -1,-0.0 -0.954 11.9-116.1-119.4 134.5 -2.7 -53.8 -6.6 54 54 A M E -D 84 0A 52 -2,-0.4 30,-0.2 30,-0.2 2,-0.1 -0.273 28.0-178.6 -60.8 144.3 -2.1 -52.2 -3.2 55 55 A A - 0 0 30 28,-1.1 -1,-0.1 1,-0.5 29,-0.1 0.127 61.2 -7.8-109.1-128.3 1.4 -52.5 -1.4 56 56 A E S S- 0 0 73 1,-0.1 2,-2.6 -2,-0.1 -1,-0.5 -0.361 75.6-107.8 -65.8 150.8 1.9 -50.9 2.0 57 57 A P S S+ 0 0 45 0, 0.0 -18,-2.6 0, 0.0 2,-0.3 -0.406 81.7 127.7 -73.8 64.5 -0.9 -48.8 3.5 58 58 A V E -C 38 0A 14 -2,-2.6 2,-0.4 -20,-0.3 -20,-0.2 -0.891 47.2-159.8-131.6 146.2 1.4 -45.8 2.9 59 59 A V E -C 37 0A 0 -22,-2.5 -22,-2.5 -2,-0.3 2,-0.8 -0.997 11.3-147.5-127.9 134.6 1.0 -42.5 1.1 60 60 A R E -CE 36 81A 34 21,-3.2 21,-1.4 -2,-0.4 2,-0.6 -0.874 17.2-161.8-103.5 101.2 3.9 -40.4 -0.2 61 61 A Y E -CE 35 80A 0 -26,-3.5 -26,-3.3 -2,-0.8 2,-0.3 -0.756 15.2-165.0 -90.5 123.7 2.8 -36.7 0.1 62 62 A E E -CE 34 79A 20 17,-2.4 17,-2.0 -2,-0.6 2,-0.4 -0.828 27.8-170.4-121.7 145.5 4.9 -34.5 -2.1 63 63 A F E -CE 33 78A 1 -30,-2.3 -30,-2.4 -2,-0.3 2,-0.4 -0.996 23.3-174.8-123.3 124.1 5.8 -30.8 -2.6 64 64 A I E -CE 32 77A 4 13,-3.0 13,-2.9 -2,-0.4 2,-0.5 -0.982 17.9-158.4-128.2 127.9 7.8 -30.1 -5.8 65 65 A R E -CE 31 76A 59 -34,-2.9 -34,-2.6 -2,-0.4 11,-0.2 -0.915 8.4-176.9 -98.3 126.8 9.4 -26.9 -7.2 66 66 A M E + E 0 75A 4 9,-3.3 9,-2.1 -2,-0.5 3,-0.2 -0.684 12.4 164.1-119.5 74.7 10.1 -27.0 -10.9 67 67 A P E S+ 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.618 72.1 36.0 -67.5 -12.8 11.9 -23.6 -11.6 68 68 A D E +B 28 0A 82 -40,-0.5 -40,-2.4 7,-0.1 2,-0.4 -0.815 69.0 154.3-150.9 95.8 13.2 -24.7 -15.1 69 69 A S E >> -BE 27 73A 5 4,-1.8 4,-3.1 -2,-0.3 3,-1.7 -0.965 41.8-123.2-137.3 111.1 11.0 -26.9 -17.3 70 70 A T T 34 S+ 0 0 64 -44,-2.0 -2,-0.0 -2,-0.4 0, 0.0 -0.269 95.9 6.0 -59.6 132.6 11.2 -27.0 -21.1 71 71 A G T 34 S+ 0 0 46 1,-0.1 -1,-0.3 -46,-0.1 -46,-0.1 0.099 131.8 56.1 85.5 -23.1 7.9 -26.2 -22.8 72 72 A F T <4 S- 0 0 11 -3,-1.7 2,-0.4 1,-0.3 -2,-0.2 0.774 86.6-147.5-115.1 -41.1 6.2 -25.4 -19.4 73 73 A G E < -E 69 0A 36 -4,-3.1 -4,-1.8 30,-0.1 2,-0.5 -0.902 48.3 -22.1 111.9-134.1 8.2 -22.7 -17.6 74 74 A D E S+ 0 0 95 -2,-0.4 2,-0.2 -6,-0.2 -6,-0.0 -0.955 76.8 133.4-128.6 109.4 8.6 -22.2 -13.9 75 75 A Y E -E 66 0A 4 -9,-2.1 -9,-3.3 -2,-0.5 2,-0.3 -0.774 40.9-121.9-148.7-178.5 6.0 -23.8 -11.5 76 76 A S E -E 65 0A 7 -11,-0.2 24,-1.1 -2,-0.2 2,-0.3 -0.942 18.7-162.9-136.1 156.3 5.3 -25.8 -8.3 77 77 A E E -EF 64 99A 7 -13,-2.9 -13,-3.0 -2,-0.3 2,-0.3 -0.955 9.4-168.5-139.9 148.8 3.3 -29.0 -7.7 78 78 A S E +EF 63 98A 0 20,-1.8 20,-2.5 -2,-0.3 2,-0.3 -0.984 25.5 164.5-137.6 141.8 1.8 -30.8 -4.7 79 79 A G E -EF 62 97A 0 -17,-2.0 -17,-2.4 -2,-0.3 2,-0.5 -0.978 36.2-128.7-158.6 162.0 0.6 -34.4 -5.0 80 80 A Q E -EF 61 96A 2 16,-2.9 15,-2.3 -2,-0.3 16,-1.1 -0.980 28.6-175.7-124.6 119.3 -0.5 -37.6 -3.4 81 81 A V E -EF 60 94A 7 -21,-1.4 -21,-3.2 -2,-0.5 13,-0.2 -0.964 10.4-157.2-125.4 137.4 1.1 -40.9 -4.5 82 82 A I E - F 0 93A 1 11,-2.7 11,-2.2 -2,-0.4 -23,-0.2 -0.936 22.8-122.2-113.7 126.1 0.4 -44.5 -3.5 83 83 A P E + F 0 92A 0 0, 0.0 -28,-1.1 0, 0.0 2,-0.3 -0.478 44.3 173.2 -57.6 133.5 2.9 -47.4 -3.7 84 84 A V E -DF 54 91A 0 7,-2.4 7,-3.0 -30,-0.2 2,-0.4 -0.916 29.7-135.6-136.2 163.1 1.4 -50.1 -5.9 85 85 A T E +DF 53 90A 39 -32,-3.2 -32,-2.6 -2,-0.3 2,-0.3 -0.948 20.8 175.8-114.1 147.8 2.2 -53.5 -7.6 86 86 A F E > S- F 0 89A 8 3,-2.1 3,-1.6 -2,-0.4 -34,-0.1 -0.884 72.1 -15.7-150.4 117.8 1.3 -54.3 -11.2 87 87 A R T 3 S- 0 0 170 -2,-0.3 3,-0.1 1,-0.3 -35,-0.0 0.864 128.9 -50.9 55.6 40.7 2.3 -57.5 -12.9 88 88 A G T 3 S+ 0 0 78 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.496 115.3 118.5 79.0 4.1 5.0 -58.3 -10.3 89 89 A E E < -F 86 0A 74 -3,-1.6 -3,-2.1 75,-0.0 2,-0.3 -0.906 61.2-135.0-109.6 128.4 6.4 -54.8 -10.6 90 90 A R E +F 85 0A 109 -2,-0.5 -5,-0.2 -5,-0.2 2,-0.2 -0.602 45.5 135.8 -75.7 133.3 6.6 -52.3 -7.8 91 91 A G E -F 84 0A 0 -7,-3.0 -7,-2.4 -2,-0.3 2,-0.3 -0.796 45.6 -91.9-154.6-159.6 5.5 -48.8 -8.8 92 92 A S E -Fg 83 166A 2 73,-1.4 75,-2.8 -9,-0.3 2,-0.4 -0.904 16.2-148.6-129.0 154.1 3.4 -45.7 -7.9 93 93 A Y E -Fg 82 167A 10 -11,-2.2 -11,-2.7 -2,-0.3 2,-0.7 -0.998 16.0-141.1-120.0 127.0 -0.1 -44.5 -8.5 94 94 A T E +F 81 0A 4 73,-1.6 75,-0.4 -2,-0.4 -13,-0.2 -0.780 24.5 172.6 -86.7 111.8 -0.8 -40.8 -8.7 95 95 A L E - 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