==== 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 3BGT . COMPND 2 MOLECULE: PROBABLE ACETOACETATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHROMOBACTERIUM VIOLACEUM; . 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) . 39329.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 723 74.0 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 . 424 43.4 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 . 95 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 9.6 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 2 0 7 1 6 0 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 . 0 12 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 X 0 0 40 0, 0.0 294,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 108.4 47.8 65.9 142.7 2 2 A K >> - 0 0 109 292,-0.2 4,-1.8 3,-0.1 3,-0.6 -0.006 360.0 -95.8 -71.8 164.2 46.6 62.5 141.4 3 3 A Q H 3> S+ 0 0 88 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.807 121.8 44.7 -40.8 -44.8 45.3 59.4 143.3 4 4 A Q H 3> S+ 0 0 133 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.800 108.0 57.2 -81.6 -27.2 48.4 57.6 143.3 5 5 A E H <> S+ 0 0 75 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.843 108.9 49.5 -64.7 -35.2 50.5 60.6 144.4 6 6 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 3,-0.3 0.970 111.4 46.4 -67.7 -53.4 48.1 60.8 147.4 7 7 A R H < S+ 0 0 83 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.793 115.2 50.1 -57.5 -28.1 48.5 57.2 148.3 8 8 A Q H < S+ 0 0 150 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.808 115.7 37.6 -87.3 -33.8 52.3 57.6 147.8 9 9 A R H < S+ 0 0 191 -4,-1.9 -2,-0.2 -3,-0.3 -1,-0.2 0.690 87.8 117.2 -87.0 -20.5 52.8 60.7 150.0 10 10 A A < + 0 0 6 -4,-2.3 3,-0.1 -5,-0.2 5,-0.0 -0.263 20.2 128.3 -56.7 118.4 50.2 59.6 152.7 11 11 A F S S- 0 0 26 1,-0.4 2,-0.3 4,-0.1 -1,-0.2 0.456 73.8 -9.0-130.9 -57.2 51.9 59.1 156.1 12 12 A A S S- 0 0 0 3,-0.2 -1,-0.4 2,-0.2 5,-0.2 -0.981 88.6 -58.4-144.1 153.5 50.0 61.2 158.6 13 13 A X S S+ 0 0 0 403,-0.7 6,-2.9 -2,-0.3 7,-0.2 -0.479 111.1 46.7 -71.9 146.5 47.2 63.9 158.6 14 14 A P S > S- 0 0 8 0, 0.0 3,-1.7 0, 0.0 -2,-0.2 0.609 80.7-149.8 -69.3 138.1 47.3 66.6 157.3 15 15 A L T 3 S+ 0 0 17 1,-0.3 -3,-0.2 399,-0.2 -4,-0.1 0.849 94.1 38.7 -36.8 -57.3 48.5 65.0 154.0 16 16 A T T 3 S+ 0 0 66 1,-0.3 -1,-0.3 276,-0.2 -3,-0.1 0.501 133.6 23.5 -80.6 -8.9 50.5 68.1 152.9 17 17 A S S < S- 0 0 20 -3,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 -0.394 88.9-148.2-154.3 67.2 51.7 69.1 156.4 18 18 A P - 0 0 54 0, 0.0 -5,-0.2 0, 0.0 -3,-0.1 0.032 17.0-129.0 -53.6 142.6 51.7 65.9 158.6 19 19 A A S S+ 0 0 12 -6,-2.9 88,-0.2 1,-0.1 87,-0.1 0.756 95.3 11.7 -63.0 -18.9 51.1 66.4 162.4 20 20 A F S S- 0 0 3 -7,-0.2 -1,-0.1 86,-0.1 52,-0.1 -0.994 81.2-121.5-151.5 153.5 54.2 64.4 162.9 21 21 A P - 0 0 41 0, 0.0 -2,-0.0 0, 0.0 2,-0.0 -0.563 25.2 -99.2 -98.7 166.1 57.0 63.1 160.8 22 22 A P - 0 0 77 0, 0.0 400,-0.0 0, 0.0 -11,-0.0 -0.164 57.0-160.5 -61.2 153.1 58.7 59.9 159.9 23 23 A G - 0 0 41 2,-0.1 2,-0.1 48,-0.0 48,-0.1 0.021 67.4-155.7 -80.7-153.8 61.7 58.9 161.8 24 24 A P - 0 0 97 0, 0.0 2,-1.0 0, 0.0 211,-0.1 0.141 52.7-145.3 -69.0 147.0 64.0 57.9 162.7 25 25 A Y E +A 234 0A 6 209,-0.6 209,-2.1 -2,-0.1 2,-0.4 -0.628 25.2 174.7 -87.4 93.4 63.1 58.7 166.3 26 26 A R E -A 233 0A 75 -2,-1.0 44,-2.1 207,-0.2 2,-0.5 -0.773 13.6-162.7-104.7 135.2 66.2 59.6 168.3 27 27 A F E -AB 232 69A 1 205,-3.7 205,-2.0 -2,-0.4 2,-0.4 -0.959 2.6-162.8-116.4 127.3 66.2 60.8 171.9 28 28 A V E S- B 0 68A 38 40,-2.9 40,-0.7 -2,-0.5 203,-0.2 -0.939 72.2 -2.5-108.5 135.0 69.1 62.6 173.4 29 29 A N E S- 0 0 71 -2,-0.4 202,-0.2 1,-0.2 -1,-0.2 0.808 75.0-175.3 56.9 37.7 69.5 62.9 177.2 30 30 A R E -A 230 0A 19 200,-2.1 200,-2.2 -3,-0.2 2,-0.5 -0.433 9.8-155.9 -51.9 129.3 66.3 61.2 178.2 31 31 A E E -AC 229 65A 47 34,-2.2 34,-3.0 198,-0.2 2,-0.4 -0.979 10.4-167.9-120.9 122.3 66.0 61.5 181.9 32 32 A Y E -AC 228 64A 14 196,-2.6 196,-1.2 -2,-0.5 2,-0.5 -0.838 20.6-172.1-110.2 138.9 63.9 59.0 183.9 33 33 A X E -AC 227 63A 0 30,-2.2 30,-2.2 -2,-0.4 2,-0.5 -0.995 20.7-175.2-113.5 121.5 62.5 58.8 187.4 34 34 A I E -AC 226 62A 3 192,-3.0 192,-2.1 -2,-0.5 2,-0.6 -0.965 9.5-172.8-121.5 119.3 61.0 55.4 187.8 35 35 A I E -AC 225 61A 0 26,-3.4 26,-3.1 -2,-0.5 2,-0.5 -0.948 9.7-158.9-108.2 121.4 59.2 54.4 191.0 36 36 A T E +AC 224 60A 15 188,-2.0 187,-3.0 -2,-0.6 188,-1.6 -0.850 16.1 177.4-101.7 126.0 58.2 50.8 191.3 37 37 A Y E -AC 222 59A 0 22,-2.6 22,-2.3 -2,-0.5 2,-0.3 -0.922 31.1-117.3-131.2 152.4 55.4 49.9 193.7 38 38 A R E +AC 221 58A 99 183,-2.0 182,-2.0 -2,-0.3 183,-1.1 -0.678 41.4 176.6 -80.2 139.6 53.5 46.8 194.7 39 39 A T - 0 0 2 18,-2.1 180,-0.1 -2,-0.3 178,-0.1 -0.785 40.8 -65.3-134.1 178.9 49.7 47.0 193.9 40 40 A D >> - 0 0 69 178,-0.3 3,-1.2 -2,-0.2 4,-1.2 -0.569 38.0-146.6 -68.1 122.8 46.5 45.0 194.2 41 41 A P H 3> S+ 0 0 60 0, 0.0 4,-2.6 0, 0.0 3,-0.3 0.875 101.6 57.6 -59.5 -35.7 46.9 42.1 191.8 42 42 A A H 3> S+ 0 0 59 1,-0.2 4,-1.2 2,-0.2 -2,-0.1 0.710 100.6 58.2 -62.4 -24.2 43.2 42.3 191.1 43 43 A A H <4 S+ 0 0 15 -3,-1.2 4,-0.2 2,-0.2 -1,-0.2 0.819 109.1 42.9 -77.8 -32.3 43.8 45.9 190.0 44 44 A I H >X S+ 0 0 0 -4,-1.2 3,-2.1 -3,-0.3 4,-1.6 0.920 110.4 56.0 -73.4 -48.8 46.2 44.8 187.3 45 45 A E H 3< S+ 0 0 128 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.853 101.5 57.6 -55.2 -33.6 44.1 41.9 186.2 46 46 A A T 3< S+ 0 0 67 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.689 118.0 32.4 -67.9 -16.9 41.1 44.3 185.6 47 47 A V T <4 S+ 0 0 20 -3,-2.1 -2,-0.2 -4,-0.2 -1,-0.2 0.511 93.1 96.4-119.3 -10.7 43.3 46.3 183.1 48 48 A L < - 0 0 11 -4,-1.6 2,-0.3 -3,-0.1 6,-0.1 -0.762 65.8-139.2 -90.3 113.5 45.7 43.8 181.4 49 49 A P > - 0 0 0 0, 0.0 3,-1.6 0, 0.0 198,-0.2 -0.523 30.2 -96.6 -73.4 128.9 44.4 42.5 177.9 50 50 A E T 3 S+ 0 0 87 196,-1.9 201,-0.1 1,-0.3 3,-0.1 -0.498 107.1 48.8 -64.0 151.3 44.9 38.8 177.1 51 51 A P T 3 S+ 0 0 27 0, 0.0 -1,-0.3 0, 0.0 36,-0.3 -0.977 101.3 86.4 -82.6 12.3 46.9 37.3 175.5 52 52 A L S < S- 0 0 6 -3,-1.6 2,-0.4 34,-0.1 34,-0.2 -0.387 70.8-147.2 -63.3 146.7 49.3 39.3 177.7 53 53 A Q E -D 85 0A 106 32,-2.1 32,-2.5 -3,-0.1 2,-0.0 -0.962 12.7-113.1-125.0 137.5 50.0 37.6 181.0 54 54 A X E +D 84 0A 50 -2,-0.4 30,-0.2 30,-0.2 2,-0.1 -0.331 30.5 179.4 -62.0 142.1 50.6 39.2 184.4 55 55 A A - 0 0 25 28,-1.2 -1,-0.1 1,-0.4 30,-0.1 -0.155 60.6 -5.5-113.9-147.2 54.0 38.9 186.1 56 56 A E S S- 0 0 81 1,-0.2 2,-2.2 -2,-0.1 -1,-0.4 0.011 75.0-113.2 -37.9 144.8 54.7 40.5 189.4 57 57 A P S S+ 0 0 41 0, 0.0 -18,-2.1 0, 0.0 2,-0.2 -0.285 77.7 115.6 -86.3 69.3 52.0 42.7 190.9 58 58 A V E -C 38 0A 17 -2,-2.2 2,-0.4 -20,-0.2 -20,-0.2 -0.812 52.2-147.6-125.9 164.8 54.0 45.8 190.6 59 59 A V E -C 37 0A 0 -22,-2.3 -22,-2.6 -2,-0.2 2,-0.8 -0.994 10.7-141.2-133.1 135.0 53.7 49.0 188.6 60 60 A R E -CE 36 81A 36 21,-3.3 21,-2.2 -2,-0.4 2,-0.5 -0.866 19.3-164.7 -84.4 103.4 56.4 51.1 187.2 61 61 A Y E -CE 35 80A 0 -26,-3.1 -26,-3.4 -2,-0.8 2,-0.3 -0.828 15.9-169.7 -94.8 130.9 55.4 54.7 187.6 62 62 A E E -CE 34 79A 18 17,-2.3 17,-1.7 -2,-0.5 2,-0.4 -0.857 29.4-168.8-128.9 147.2 57.6 57.0 185.5 63 63 A F E -CE 33 78A 1 -30,-2.2 -30,-2.2 -2,-0.3 2,-0.4 -0.993 24.2-171.6-130.4 121.3 58.4 60.6 184.9 64 64 A I E -CE 32 77A 2 13,-3.5 13,-2.8 -2,-0.4 2,-0.5 -0.968 16.9-155.3-124.1 132.8 60.5 61.2 181.8 65 65 A R E -CE 31 76A 59 -34,-3.0 -34,-2.2 -2,-0.4 11,-0.2 -0.903 9.8-177.6 -99.7 128.6 62.2 64.3 180.5 66 66 A X E + E 0 75A 1 9,-3.6 9,-2.9 -2,-0.5 3,-0.2 -0.680 13.2 162.5-122.3 77.7 62.7 64.4 176.7 67 67 A P E S+ 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.677 71.6 32.9 -73.3 -15.5 64.6 67.6 176.1 68 68 A D E S+B 28 0A 83 -40,-0.7 -40,-2.9 7,-0.1 2,-0.4 -0.859 70.8 152.4-148.5 105.1 65.9 66.6 172.6 69 69 A S E >> -BE 27 73A 4 4,-1.3 4,-2.7 -2,-0.3 3,-1.5 -0.963 42.2-115.5-148.1 110.7 63.8 64.4 170.4 70 70 A T T 34 S+ 0 0 62 -44,-2.1 -2,-0.0 -2,-0.4 4,-0.0 -0.222 95.4 0.7 -55.7 128.0 63.8 64.3 166.6 71 71 A G T 34 S+ 0 0 46 1,-0.1 -1,-0.3 -46,-0.1 -46,-0.1 0.188 131.0 60.3 82.0 -22.5 60.7 65.2 164.9 72 72 A F T <4 S- 0 0 11 -3,-1.5 2,-0.4 1,-0.2 -2,-0.2 0.773 85.2-149.2-111.1 -39.0 59.0 65.9 168.2 73 73 A G E < -E 69 0A 37 -4,-2.7 -4,-1.3 30,-0.1 2,-0.5 -0.847 48.5 -18.8 106.8-138.2 61.0 68.7 170.0 74 74 A D E S+ 0 0 98 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.1 -0.953 78.1 132.7-120.5 113.4 61.4 69.2 173.7 75 75 A Y E -E 66 0A 2 -9,-2.9 -9,-3.6 -2,-0.5 2,-0.3 -0.882 40.7-126.3-152.4 178.1 58.9 67.6 176.1 76 76 A S E -E 65 0A 9 -2,-0.3 24,-1.1 -11,-0.2 2,-0.3 -0.932 18.7-167.7-135.5 160.2 58.1 65.6 179.2 77 77 A E E -EF 64 99A 9 -13,-2.8 -13,-3.5 -2,-0.3 2,-0.3 -0.962 8.5-169.7-147.3 150.2 56.0 62.5 179.9 78 78 A S E +EF 63 98A 0 20,-1.9 20,-2.6 -2,-0.3 2,-0.3 -0.982 23.6 148.3-143.9 149.7 54.6 60.5 182.8 79 79 A G E -EF 62 97A 0 -17,-1.7 -17,-2.3 -2,-0.3 2,-0.5 -0.984 42.2-108.6-171.1 169.3 53.0 57.1 182.7 80 80 A Q E -EF 61 96A 2 16,-2.3 15,-1.9 -2,-0.3 16,-1.1 -0.985 30.6-174.3-119.9 121.1 52.2 53.7 184.3 81 81 A V E -EF 60 94A 3 -21,-2.2 -21,-3.3 -2,-0.5 13,-0.2 -0.940 6.9-158.5-119.9 140.3 54.0 50.6 183.1 82 82 A I E - F 0 93A 0 11,-2.5 11,-2.2 -2,-0.4 2,-0.2 -0.951 21.5-120.6-117.4 129.7 53.2 47.0 184.1 83 83 A P E + F 0 92A 9 0, 0.0 -28,-1.2 0, 0.0 9,-0.3 -0.525 44.5 167.4 -66.2 137.1 55.6 44.0 183.8 84 84 A V E -DF 54 91A 0 7,-3.1 7,-2.6 -30,-0.2 2,-0.4 -0.847 31.8-130.9-136.6 173.2 54.1 41.2 181.7 85 85 A T E +DF 53 90A 40 -32,-2.5 -32,-2.1 -2,-0.3 2,-0.3 -0.992 19.8 179.3-126.1 141.3 55.0 38.0 179.9 86 86 A F E > S- F 0 89A 7 3,-2.7 3,-1.7 -2,-0.4 -34,-0.1 -0.953 72.7 -19.0-141.9 119.8 54.0 37.2 176.3 87 87 A R T 3 S- 0 0 167 -2,-0.3 3,-0.1 -36,-0.3 -35,-0.0 0.863 129.1 -47.7 49.7 46.2 55.0 34.0 174.6 88 88 A G T 3 S+ 0 0 78 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.444 116.1 116.0 80.1 2.2 57.8 33.2 177.2 89 89 A E E < -F 86 0A 70 -3,-1.7 -3,-2.7 75,-0.0 -1,-0.2 -0.922 60.7-134.6-111.1 121.7 59.2 36.7 176.9 90 90 A R E +F 85 0A 106 -2,-0.5 2,-0.2 -5,-0.2 -5,-0.2 -0.495 44.8 126.8 -51.7 129.2 59.3 39.2 179.6 91 91 A G E -F 84 0A 0 -7,-2.6 -7,-3.1 -2,-0.2 2,-0.3 -0.903 47.5 -84.8-163.5-158.8 58.4 42.7 178.8 92 92 A S E -Fg 83 166A 1 73,-1.5 75,-3.0 -9,-0.3 2,-0.5 -0.861 16.8-148.4-126.3 155.3 56.2 45.6 179.7 93 93 A Y E -Fg 82 167A 11 -11,-2.2 -11,-2.5 -2,-0.3 2,-0.7 -0.993 16.1-141.2-121.5 126.5 52.7 46.8 179.0 94 94 A T E +F 81 0A 5 73,-1.6 75,-0.4 -2,-0.5 -13,-0.2 -0.751 25.1 170.6 -87.2 115.0 52.0 50.6 178.8 95 95 A L E + 0 0 11 -15,-1.9 2,-0.3 -2,-0.7 166,-0.2 0.873 63.7 1.5 -90.2 -42.6 48.6 51.3 180.5 96 96 A A E +F 80 0A 9 -16,-1.1 -16,-2.3 116,-0.0 -1,-0.3 -0.998 57.8 174.5-152.6 141.7 48.6 55.1 180.6 97 97 A X E -Fh 79 116A 4 18,-1.1 20,-2.4 -2,-0.3 2,-0.4 -0.975 9.7-162.1-140.0 158.7 50.9 58.2 179.5 98 98 A F E +Fh 78 117A 1 -20,-2.6 -20,-1.9 -2,-0.3 2,-0.3 -0.982 12.3 178.2-146.0 135.2 50.6 61.9 179.5 99 99 A L E -Fh 77 118A 0 18,-1.8 20,-1.6 -2,-0.4 -22,-0.2 -0.953 30.6-140.1-138.7 160.2 52.6 64.4 177.6 100 100 A D S S+ 0 0 67 -24,-1.1 2,-0.3 -2,-0.3 -23,-0.1 -0.076 79.5 69.9-109.4 31.3 52.9 68.2 177.0 101 101 A D > - 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