==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 21-MAR-08 3CMB . COMPND 2 MOLECULE: ACETOACETATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCULLEUS MARISNIGRI JR1; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1062 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40349.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 829 78.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 433 40.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.1 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 . 99 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.7 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 4 0 0 4 0 0 5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 8 12 0 0 3 3 6 4 8 4 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 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 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 0 A G 0 0 75 0, 0.0 849,-0.2 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 0.9 19.8 9.4 31.8 2 1 A X - 0 0 54 1,-0.1 2,-0.5 847,-0.1 846,-0.2 0.005 360.0 -73.0 -98.4-172.7 22.1 12.3 32.3 3 2 A F B +a 851 0A 24 847,-2.9 849,-2.0 844,-0.4 -1,-0.1 -0.733 43.7 166.9 -92.7 132.0 21.9 16.0 32.9 4 3 A R - 0 0 44 -2,-0.5 846,-0.0 847,-0.2 844,-0.0 -0.993 34.9-118.3-134.8 131.8 20.9 18.4 30.2 5 4 A P - 0 0 56 0, 0.0 2,-0.3 0, 0.0 11,-0.0 -0.262 29.4-115.7 -64.5 159.9 20.0 22.0 30.9 6 5 A Q > - 0 0 109 1,-0.1 3,-1.3 4,-0.0 985,-0.2 -0.760 7.2-136.4 -95.9 146.8 16.6 23.3 30.0 7 6 A D T 3 S+ 0 0 157 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.789 105.5 60.2 -71.5 -25.1 16.0 25.9 27.4 8 7 A D T 3 S+ 0 0 47 982,-0.1 14,-2.8 13,-0.1 -1,-0.3 0.640 97.3 101.4 -70.6 -12.5 13.6 27.6 29.7 9 8 A F E < -B 21 0B 42 -3,-1.3 982,-2.1 12,-0.2 2,-0.4 -0.425 55.2-155.1-114.3 150.1 16.1 28.1 32.4 10 9 A T E +B 20 0B 47 10,-2.7 10,-2.3 980,-0.2 2,-0.3 -0.926 31.0 176.5-102.5 139.6 18.6 30.2 34.4 11 10 A Y - 0 0 9 -2,-0.4 2,-0.3 980,-0.2 8,-0.1 -0.937 22.6-164.6-143.1 154.3 21.5 28.6 36.2 12 11 A L - 0 0 46 6,-0.3 972,-0.1 -2,-0.3 6,-0.1 -0.944 55.1 -46.0-128.0 156.3 24.6 29.3 38.2 13 12 A X S S+ 0 0 6 970,-0.4 909,-0.1 -2,-0.3 969,-0.0 -0.423 123.9 49.5 -61.5 135.4 27.4 26.8 38.9 14 13 A P S > S+ 0 0 4 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.303 73.1 174.0 -78.7 120.8 26.8 24.0 39.8 15 14 A V G > + 0 0 1 1,-0.3 3,-1.9 966,-0.2 -2,-0.1 0.827 66.7 69.3 -65.3 -29.5 24.5 23.8 36.8 16 15 A H G 3 S+ 0 0 4 1,-0.3 -1,-0.3 833,-0.1 3,-0.1 0.511 86.4 63.8 -79.7 -3.3 23.7 20.1 37.3 17 16 A F G < S- 0 0 15 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.411 115.5-111.7 -96.3 3.7 21.8 20.4 40.5 18 17 A G < - 0 0 20 -3,-1.9 -6,-0.3 -4,-0.1 -1,-0.3 -0.341 30.7-133.8 103.3-177.4 19.3 22.4 38.4 19 18 A G - 0 0 44 -8,-0.1 2,-0.4 -2,-0.1 -8,-0.2 -0.566 24.2 -83.6-151.6-155.7 18.0 25.9 38.0 20 19 A G E -B 10 0B 29 -10,-2.3 -10,-2.7 -2,-0.2 3,-0.1 -0.998 38.7 -97.9-140.1 145.9 14.8 27.9 37.6 21 20 A K E -B 9 0B 80 -2,-0.4 -12,-0.2 -12,-0.2 -13,-0.1 -0.290 50.2-104.3 -57.1 132.9 12.5 28.9 34.8 22 21 A F - 0 0 56 -14,-2.8 -1,-0.1 2,-0.0 3,-0.0 -0.342 38.4-177.6 -58.9 136.5 13.3 32.4 33.4 23 22 A D > - 0 0 78 -3,-0.1 3,-2.0 1,-0.1 236,-0.2 -0.956 23.2-152.0-136.5 118.8 10.9 35.2 34.4 24 23 A P T 3 S+ 0 0 66 0, 0.0 235,-0.3 0, 0.0 -1,-0.1 0.751 99.2 54.8 -64.7 -16.3 11.4 38.6 33.0 25 24 A E T 3 S+ 0 0 98 233,-0.1 2,-0.2 234,-0.1 233,-0.0 0.035 72.0 145.4-105.0 22.7 9.8 40.0 36.2 26 25 A T < - 0 0 57 -3,-2.0 232,-2.0 231,-0.1 233,-0.7 -0.471 34.6-158.6 -58.3 125.6 12.1 38.2 38.7 27 26 A L E -C 257 0C 63 -2,-0.2 2,-0.5 230,-0.2 230,-0.2 -0.817 26.4-148.4-112.1 151.7 12.5 40.6 41.7 28 27 A V E +C 256 0C 20 228,-2.2 228,-3.2 -2,-0.3 2,-0.4 -0.984 27.4 178.6-105.2 127.8 14.8 41.3 44.5 29 28 A T E +C 255 0C 45 -2,-0.5 43,-2.4 226,-0.2 2,-0.3 -0.998 12.5 142.0-132.7 131.7 12.8 42.7 47.4 30 29 A Q E -C 254 0C 11 224,-1.5 224,-2.7 -2,-0.4 2,-0.2 -0.975 50.1-106.1-163.4 151.3 14.3 43.6 50.8 31 30 A K E -CD 253 69C 87 38,-2.9 38,-2.1 -2,-0.3 2,-0.4 -0.582 46.9-157.9 -77.3 151.9 14.2 46.1 53.6 32 31 A A E -CD 252 68C 4 220,-2.4 220,-2.5 -2,-0.2 2,-0.4 -0.987 27.1-175.9-146.3 138.0 17.2 48.4 53.6 33 32 A T E -CD 251 67C 35 34,-2.0 34,-2.6 -2,-0.4 2,-0.4 -0.974 18.5-172.7-118.3 137.7 19.3 50.7 55.6 34 33 A A E -CD 250 66C 1 216,-2.6 216,-2.8 -2,-0.4 2,-0.6 -0.997 23.7-165.0-134.7 139.7 22.1 52.8 54.1 35 34 A L E -CD 249 65C 0 30,-2.7 30,-2.3 -2,-0.4 2,-0.6 -0.964 29.7-168.7-111.9 104.7 24.8 55.1 55.4 36 35 A S E +CD 248 64C 15 212,-2.9 212,-2.3 -2,-0.6 2,-0.3 -0.900 11.7 170.5-110.1 120.5 25.9 56.9 52.3 37 36 A L E -CD 247 63C 0 26,-2.6 26,-2.8 -2,-0.6 2,-0.4 -0.858 11.9-169.0-119.9 154.6 29.0 59.0 52.0 38 37 A S E -CD 246 62C 5 208,-1.9 207,-1.9 -2,-0.3 208,-1.4 -0.992 7.3-168.3-140.6 145.7 30.8 60.7 49.2 39 38 A F E -CD 244 61C 1 22,-2.4 22,-2.5 -2,-0.4 2,-0.4 -0.979 20.1-123.9-136.8 149.9 34.2 62.3 49.1 40 39 A E E +CD 243 60C 75 203,-2.6 202,-2.8 -2,-0.3 203,-1.0 -0.732 40.1 156.4 -91.7 137.6 36.2 64.5 46.8 41 40 A T - 0 0 2 18,-2.1 2,-0.6 -2,-0.4 200,-0.1 -0.539 46.5 -51.0-140.6-157.0 39.6 63.3 45.7 42 41 A E > - 0 0 68 -2,-0.2 4,-2.2 198,-0.2 5,-0.2 -0.796 38.0-150.3 -99.6 118.8 42.2 63.7 43.0 43 42 A R H > S+ 0 0 93 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.911 93.9 49.6 -54.6 -50.9 41.0 63.3 39.5 44 43 A D H > S+ 0 0 92 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.925 112.0 48.9 -60.3 -37.4 44.1 62.0 37.9 45 44 A L H 4 S+ 0 0 51 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.900 113.1 46.5 -71.8 -39.5 44.6 59.3 40.6 46 45 A L H >< S+ 0 0 0 -4,-2.2 3,-2.5 1,-0.2 -1,-0.2 0.881 103.1 61.9 -68.8 -40.3 41.0 58.1 40.4 47 46 A E H >< S+ 0 0 47 -4,-2.6 755,-1.9 1,-0.3 3,-1.5 0.759 88.6 73.9 -62.1 -23.8 41.0 57.9 36.6 48 47 A N T 3< S+ 0 0 66 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.733 100.9 43.7 -58.7 -18.1 43.8 55.3 37.0 49 48 A Y T < S+ 0 0 37 -3,-2.5 -1,-0.3 -4,-0.2 -2,-0.2 0.340 95.0 90.5-111.7 3.3 41.1 53.0 38.1 50 49 A I S < S- 0 0 0 -3,-1.5 753,-2.6 -4,-0.2 752,-0.1 -0.907 77.2-120.7-106.4 122.9 38.4 53.8 35.5 51 50 A P B > -q 803 0D 3 0, 0.0 3,-1.7 0, 0.0 753,-0.2 -0.244 32.3 -95.5 -61.0 145.4 38.4 51.7 32.3 52 51 A E T 3 S+ 0 0 120 751,-1.8 3,-0.1 1,-0.2 750,-0.1 -0.340 112.9 53.0 -52.1 136.1 38.7 53.3 28.8 53 52 A G T 3 S+ 0 0 37 1,-0.4 38,-2.3 748,-0.1 2,-0.4 0.120 96.0 87.7 110.4 -17.0 35.3 53.9 27.5 54 53 A F E < -E 90 0C 4 -3,-1.7 2,-0.5 36,-0.2 -1,-0.4 -0.911 62.7-151.9-113.3 142.0 34.2 55.7 30.6 55 54 A E E -E 89 0C 85 34,-2.5 34,-2.3 -2,-0.4 2,-0.6 -0.958 22.7-127.9-107.2 124.9 34.6 59.5 31.4 56 55 A L E -E 88 0C 1 -2,-0.5 32,-0.3 32,-0.2 -9,-0.1 -0.671 17.8-162.3 -72.6 117.3 34.8 60.3 35.0 57 56 A L - 0 0 62 30,-2.6 -1,-0.2 -2,-0.6 31,-0.2 0.802 69.1 -1.0 -73.4 -28.4 32.2 63.0 35.6 58 57 A A S S- 0 0 32 29,-0.8 2,-2.1 2,-0.2 -1,-0.2 -0.977 76.1-101.3-160.6 151.5 33.7 64.3 38.9 59 58 A P S S+ 0 0 41 0, 0.0 -18,-2.1 0, 0.0 2,-0.4 -0.542 80.0 129.6 -78.0 69.0 36.6 63.6 41.3 60 59 A E E -D 40 0C 51 -2,-2.1 2,-0.4 -20,-0.2 -20,-0.2 -0.988 46.2-164.0-135.5 136.0 34.3 61.7 43.6 61 60 A V E -D 39 0C 0 -22,-2.5 -22,-2.4 -2,-0.4 2,-0.5 -0.996 14.6-150.7-121.6 128.4 34.1 58.3 45.3 62 61 A Q E -DF 38 85C 52 23,-3.0 23,-2.2 -2,-0.4 2,-0.4 -0.867 15.5-177.7 -97.3 119.9 30.8 57.1 46.7 63 62 A V E +DF 37 84C 0 -26,-2.8 -26,-2.6 -2,-0.5 2,-0.4 -0.974 8.3 172.5-124.5 119.0 31.2 54.8 49.8 64 63 A A E -DF 36 83C 11 19,-2.3 19,-2.9 -2,-0.4 2,-0.4 -0.964 26.9-148.0-137.0 124.4 28.0 53.4 51.3 65 64 A F E -DF 35 82C 1 -30,-2.3 -30,-2.7 -2,-0.4 2,-0.4 -0.712 24.9-174.1 -79.0 129.0 27.2 50.9 53.9 66 65 A N E -DF 34 81C 24 15,-2.7 15,-2.6 -2,-0.4 2,-0.5 -0.998 14.3-165.5-127.4 138.4 24.0 48.9 53.2 67 66 A K E -DF 33 80C 35 -34,-2.6 -34,-2.0 -2,-0.4 2,-0.4 -0.982 10.0-165.9-123.5 119.1 22.1 46.4 55.3 68 67 A F E +DF 32 79C 18 11,-2.7 11,-1.7 -2,-0.5 2,-0.3 -0.853 11.7 176.4-110.6 128.4 19.5 44.3 53.6 69 68 A T E +D 31 0C 32 -38,-2.1 -38,-2.9 -2,-0.4 9,-0.2 -0.916 57.0 27.9-130.6 165.1 16.9 42.3 55.6 70 69 A E E S- 0 0 39 6,-0.6 2,-0.3 -2,-0.3 7,-0.2 0.879 79.7-170.6 54.0 41.1 13.9 40.1 55.0 71 70 A I E > > - F 0 77C 0 6,-2.5 5,-2.9 -3,-0.2 3,-0.7 -0.435 17.5-151.0 -71.5 120.0 15.6 39.3 51.6 72 71 A N G > 5S+ 0 0 60 -43,-2.4 3,-1.8 -2,-0.3 -1,-0.1 0.939 93.4 46.9 -60.4 -49.1 13.2 37.4 49.4 73 72 A W G 3 5S+ 0 0 88 1,-0.3 -1,-0.2 -44,-0.2 -2,-0.1 0.689 112.5 51.4 -74.3 -13.4 15.7 35.4 47.3 74 73 A L G X 5S- 0 0 1 -3,-0.7 3,-1.6 3,-0.2 -1,-0.3 -0.036 117.2-116.7-105.0 21.4 17.5 34.5 50.5 75 74 A H T < 5S- 0 0 66 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.877 82.8 -31.2 38.4 48.5 14.2 33.3 52.0 76 75 A G T 3 S- 0 0 19 -29,-0.2 4,-0.8 1,-0.1 -1,-0.0 -0.978 70.1-141.0-154.7 138.1 28.0 36.7 52.6 110 109 A T H > S+ 0 0 6 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.845 90.4 68.2 -72.5 -37.9 29.1 34.6 49.7 111 110 A A H > S+ 0 0 18 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.906 105.3 40.4 -52.2 -52.0 25.8 34.0 47.9 112 111 A P H > S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.776 113.3 59.0 -65.3 -26.4 25.3 37.7 46.8 113 112 A I H X S+ 0 0 0 -4,-0.8 4,-2.2 -3,-0.3 11,-0.3 0.971 109.0 40.7 -67.5 -50.4 29.1 37.8 46.0 114 113 A L H X S+ 0 0 11 -4,-2.5 4,-2.5 1,-0.2 5,-0.4 0.921 117.7 50.6 -63.2 -42.0 29.0 34.9 43.4 115 114 A G H X S+ 0 0 9 -4,-2.0 4,-2.6 -5,-0.3 5,-0.5 0.935 110.7 46.7 -61.3 -48.3 25.7 36.2 42.0 116 115 A G H X S+ 0 0 5 -4,-2.4 6,-2.3 2,-0.2 4,-1.2 0.890 116.8 43.2 -63.1 -44.3 26.8 39.7 41.5 117 116 A R H X S+ 0 0 2 -4,-2.2 4,-1.6 4,-0.3 -2,-0.2 0.970 121.8 36.4 -66.5 -54.0 30.1 38.8 39.9 118 117 A E H < S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.781 124.5 37.4 -78.9 -29.3 28.8 36.0 37.6 119 118 A Q H < S+ 0 0 79 -4,-2.6 -1,-0.2 -5,-0.4 -3,-0.2 0.760 137.3 7.3 -91.7 -25.5 25.4 37.5 36.7 120 119 A T H < S- 0 0 8 -4,-1.2 -3,-0.2 -5,-0.5 -2,-0.2 0.341 92.1-113.2-144.2 1.6 26.2 41.2 36.4 121 120 A G < + 0 0 0 -4,-1.6 60,-2.5 1,-0.2 -4,-0.3 0.731 55.9 157.6 62.8 28.8 30.0 41.7 36.7 122 121 A I - 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