==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 13-JUL-05 2AAL . COMPND 2 MOLECULE: MALONATE SEMIALDEHYDE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PAVONACEAE; . AUTHOR J.J.ALMRUD,G.J.POELARENDS,W.H.JOHNSON JR.,H.SERRANO,M.L.HACK . 775 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28570.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 551 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 11.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 64 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 6 6 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 6 6 0 0 6 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 6 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 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 P 0 0 6 0, 0.0 2,-0.5 0, 0.0 38,-0.4 0.000 360.0 360.0 360.0 169.9 3.9 17.3 6.3 2 2 A L E -A 71 0A 0 69,-2.6 69,-2.6 36,-0.1 2,-0.6 -0.962 360.0-157.3-111.2 126.5 2.9 16.1 2.9 3 3 A L E -Ab 70 40A 3 36,-2.6 38,-2.5 -2,-0.5 2,-0.5 -0.936 7.6-172.7-112.2 116.5 0.3 18.0 0.9 4 4 A K E -Ab 69 41A 30 65,-3.1 65,-3.4 -2,-0.6 2,-0.4 -0.953 8.3-161.5-108.0 118.0 -1.6 16.2 -1.8 5 5 A F E -Ab 68 42A 1 36,-3.4 38,-2.4 -2,-0.5 2,-0.5 -0.786 9.8-165.2-102.4 133.5 -3.9 18.4 -4.1 6 6 A D E +Ab 67 43A 10 61,-2.7 61,-2.5 -2,-0.4 2,-0.3 -0.995 27.9 155.7-112.4 118.0 -6.8 17.1 -6.3 7 7 A L E -Ab 66 44A 0 36,-2.1 38,-2.3 -2,-0.5 2,-0.2 -0.910 43.5 -99.6-131.7 162.6 -7.9 19.7 -8.8 8 8 A F E - b 0 45A 35 57,-0.6 3,-0.5 55,-0.5 38,-0.2 -0.590 44.9-102.1 -78.0 148.2 -9.6 19.9 -12.2 9 9 A Y S S+ 0 0 102 36,-2.5 3,-0.1 -2,-0.2 -1,-0.1 -0.386 88.1 83.8 -59.4 150.5 -7.5 20.2 -15.4 10 10 A G + 0 0 74 1,-0.5 2,-0.2 -2,-0.0 -1,-0.2 0.103 56.0 114.2 139.5 -14.8 -7.4 23.7 -16.9 11 11 A R - 0 0 40 -3,-0.5 -1,-0.5 1,-0.1 2,-0.1 -0.579 63.8-121.7 -82.2 147.2 -4.7 25.6 -15.0 12 12 A T >> - 0 0 79 -2,-0.2 4,-2.2 1,-0.1 3,-0.5 -0.418 33.2-103.3 -72.3 164.6 -1.6 26.8 -16.8 13 13 A D H 3> S+ 0 0 126 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.860 125.2 53.9 -59.5 -38.1 1.7 25.6 -15.4 14 14 A A H 3> S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.875 107.9 48.9 -65.3 -36.7 2.2 29.0 -13.8 15 15 A Q H <> S+ 0 0 102 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.849 110.1 51.1 -71.2 -39.7 -1.2 28.8 -12.1 16 16 A I H X S+ 0 0 6 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.935 112.6 47.1 -57.3 -47.2 -0.4 25.3 -10.7 17 17 A K H X S+ 0 0 126 -4,-2.4 4,-3.2 1,-0.2 -2,-0.2 0.897 109.9 52.7 -66.5 -39.8 2.9 26.6 -9.4 18 18 A S H X S+ 0 0 40 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.904 108.9 50.5 -54.8 -45.4 1.1 29.6 -7.9 19 19 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.953 113.8 44.7 -63.0 -46.3 -1.3 27.3 -6.1 20 20 A L H X S+ 0 0 2 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.946 113.5 48.6 -66.8 -45.1 1.5 25.2 -4.7 21 21 A D H X S+ 0 0 59 -4,-3.2 4,-2.3 2,-0.2 -1,-0.2 0.923 113.5 48.7 -56.1 -45.5 3.6 28.2 -3.6 22 22 A A H X S+ 0 0 2 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.923 113.0 45.9 -60.5 -51.8 0.6 29.8 -1.9 23 23 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.872 111.2 53.7 -60.3 -43.5 -0.3 26.6 -0.1 24 24 A H H X S+ 0 0 16 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.923 107.2 50.7 -56.0 -46.3 3.3 26.0 1.0 25 25 A G H X S+ 0 0 29 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.889 109.0 50.3 -60.2 -39.4 3.6 29.4 2.5 26 26 A A H X S+ 0 0 3 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.898 111.0 50.1 -70.2 -39.7 0.4 29.0 4.5 27 27 A M H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.935 112.0 46.2 -57.9 -55.0 1.6 25.7 5.8 28 28 A V H X S+ 0 0 27 -4,-2.8 4,-2.3 1,-0.2 5,-0.3 0.883 113.5 50.7 -57.6 -41.4 5.0 27.1 6.8 29 29 A D H < S+ 0 0 122 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.930 117.4 38.7 -62.9 -42.2 3.3 30.1 8.5 30 30 A A H < S+ 0 0 11 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.853 125.2 35.0 -69.5 -40.4 0.9 27.9 10.4 31 31 A F H < S- 0 0 10 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.703 91.9-132.6-103.7 -20.2 3.2 25.1 11.4 32 32 A G < + 0 0 67 -4,-2.3 -4,-0.1 -5,-0.3 -3,-0.1 0.798 53.5 146.3 75.6 28.6 6.6 26.8 11.9 33 33 A V - 0 0 21 -5,-0.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.528 57.7 -79.0 -96.9 160.9 8.5 24.3 9.8 34 34 A P > - 0 0 69 0, 0.0 3,-2.2 0, 0.0 -1,-0.2 -0.222 38.2-119.1 -58.6 144.5 11.6 25.0 7.7 35 35 A A T 3 S+ 0 0 73 1,-0.3 -7,-0.1 -3,-0.1 281,-0.1 0.818 114.1 56.4 -57.1 -29.5 10.9 26.6 4.3 36 36 A N T 3 S+ 0 0 58 1,-0.1 280,-2.4 279,-0.1 2,-1.6 0.292 74.1 100.6 -87.3 11.4 12.5 23.6 2.6 37 37 A D < + 0 0 12 -3,-2.2 2,-0.5 279,-0.2 -1,-0.1 -0.648 56.5 146.6 -89.0 67.1 10.2 21.1 4.4 38 38 A R + 0 0 27 -2,-1.6 276,-2.9 2,-0.0 2,-0.4 -0.954 16.8 155.6-120.3 113.9 8.3 21.0 1.1 39 39 A Y E + C 0 313A 3 -2,-0.5 -36,-2.6 -38,-0.4 2,-0.4 -0.929 18.7 155.8-141.2 105.4 6.5 17.9 -0.1 40 40 A Q E -bC 3 312A 2 272,-2.9 272,-2.0 -2,-0.4 2,-0.4 -0.991 20.2-171.4-137.7 141.2 3.6 18.4 -2.5 41 41 A T E -bC 4 311A 1 -38,-2.5 -36,-3.4 -2,-0.4 2,-0.4 -0.987 6.7-158.3-126.7 154.5 1.7 16.5 -5.1 42 42 A V E -b 5 0A 0 268,-2.7 2,-0.5 -2,-0.4 -36,-0.2 -0.987 3.8-171.8-128.5 127.5 -0.9 17.5 -7.6 43 43 A S E -b 6 0A 21 -38,-2.4 -36,-2.1 -2,-0.4 2,-0.3 -0.963 15.5-151.8-114.1 117.2 -3.3 15.2 -9.4 44 44 A Q E -b 7 0A 23 -2,-0.5 2,-0.3 -38,-0.2 -36,-0.2 -0.753 12.6-156.2 -97.3 147.1 -5.5 16.8 -12.1 45 45 A H E -b 8 0A 2 -38,-2.3 -36,-2.5 -2,-0.3 3,-0.1 -0.882 15.5-124.0-125.3 146.6 -8.9 15.5 -13.0 46 46 A R > - 0 0 78 -2,-0.3 3,-2.4 -38,-0.2 4,-0.2 -0.446 53.3 -82.9 -74.5 159.1 -11.3 15.5 -15.9 47 47 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 16,-0.0 -0.356 123.2 37.8 -57.4 145.5 -14.8 16.8 -15.3 48 48 A G T 3 S+ 0 0 43 2,-0.4 -2,-0.0 -3,-0.1 -3,-0.0 -0.008 93.4 92.8 100.3 -32.1 -16.8 14.0 -13.7 49 49 A E S < S+ 0 0 5 -3,-2.4 123,-2.2 1,-0.1 2,-0.4 0.517 85.2 42.4 -90.3 -5.7 -13.8 12.9 -11.6 50 50 A M E -F 171 0B 10 121,-0.2 2,-0.4 -4,-0.2 -2,-0.4 -0.997 56.5-174.1-133.8 142.1 -14.6 14.9 -8.5 51 51 A V E +F 170 0B 37 119,-2.3 119,-2.3 -2,-0.4 2,-0.5 -0.978 13.8 170.4-126.1 113.9 -17.9 15.5 -6.8 52 52 A L E +F 169 0B 20 -2,-0.4 117,-0.2 117,-0.2 9,-0.1 -0.885 2.5 168.7-134.8 97.9 -17.6 18.0 -3.9 53 53 A E - 0 0 71 115,-3.3 114,-0.1 -2,-0.5 113,-0.0 0.139 36.4-118.5 -90.6-149.7 -20.8 19.2 -2.3 54 54 A D > - 0 0 29 112,-0.4 3,-2.4 7,-0.0 113,-0.2 0.287 31.9-116.0-146.7 10.6 -21.1 21.2 0.9 55 55 A T T 3 S- 0 0 14 111,-2.2 112,-0.2 1,-0.3 110,-0.0 0.807 79.3 -60.7 53.3 33.1 -23.2 19.2 3.5 56 56 A G T 3 S+ 0 0 51 110,-0.3 -1,-0.3 3,-0.1 111,-0.1 0.645 104.9 129.2 73.8 11.0 -25.8 22.0 3.3 57 57 A L S < S- 0 0 37 -3,-2.4 -2,-0.1 2,-0.1 -1,-0.1 0.583 76.0-114.3 -77.0 -9.9 -23.3 24.7 4.5 58 58 A G + 0 0 53 1,-0.3 2,-0.3 -4,-0.0 -3,-0.1 0.793 57.0 158.6 81.2 33.5 -24.1 27.1 1.7 59 59 A Y - 0 0 19 -5,-0.1 2,-0.8 41,-0.1 -1,-0.3 -0.698 36.5-140.7 -89.7 137.8 -20.8 27.1 -0.1 60 60 A G - 0 0 49 -2,-0.3 40,-0.1 -6,-0.0 2,-0.1 -0.854 27.0-173.2-101.4 93.5 -20.6 28.1 -3.8 61 61 A R - 0 0 51 -2,-0.8 2,-0.3 -9,-0.1 40,-0.1 -0.459 4.7-177.1 -87.5 159.8 -18.1 25.8 -5.5 62 62 A S > - 0 0 57 -2,-0.1 3,-1.8 36,-0.1 -1,-0.0 -0.820 49.9 -81.3-138.5-176.9 -16.8 26.0 -9.0 63 63 A S T 3 S+ 0 0 94 1,-0.3 -55,-0.5 -2,-0.3 -2,-0.0 0.616 121.6 70.7 -64.1 -15.8 -14.5 24.1 -11.3 64 64 A A T 3 S+ 0 0 27 -57,-0.1 -1,-0.3 2,-0.1 37,-0.1 0.396 72.0 140.5 -78.0 -0.8 -11.5 25.9 -9.6 65 65 A V < - 0 0 5 -3,-1.8 -57,-0.6 1,-0.1 2,-0.5 -0.094 39.1-155.8 -50.7 133.6 -12.2 23.8 -6.5 66 66 A V E -Ad 7 102A 1 35,-3.0 37,-2.4 -59,-0.1 2,-0.6 -0.987 5.4-163.5-114.0 121.4 -9.1 22.6 -4.7 67 67 A L E -Ad 6 103A 1 -61,-2.5 -61,-2.7 -2,-0.5 2,-0.5 -0.946 12.3-166.0-100.7 122.4 -9.2 19.4 -2.5 68 68 A L E -Ad 5 104A 0 35,-3.3 37,-2.3 -2,-0.6 2,-0.5 -0.925 9.8-168.2-111.6 127.2 -6.2 19.2 -0.2 69 69 A T E -Ad 4 105A 13 -65,-3.4 -65,-3.1 -2,-0.5 2,-0.4 -0.953 11.8-163.7-109.3 129.5 -5.2 16.1 1.7 70 70 A V E -Ad 3 106A 0 35,-2.9 37,-2.7 -2,-0.5 2,-0.5 -0.887 11.4-164.6-113.1 132.9 -2.5 16.6 4.4 71 71 A I E +Ad 2 107A 13 -69,-2.6 -69,-2.6 -2,-0.4 2,-0.3 -0.991 31.1 156.0-112.2 125.3 -0.5 13.9 6.1 72 72 A S E - d 0 108A 0 35,-2.2 37,-2.4 -2,-0.5 3,-0.1 -0.975 48.0-112.2-146.5 153.0 1.2 15.2 9.2 73 73 A R S S- 0 0 48 -2,-0.3 37,-0.2 35,-0.2 2,-0.1 -0.387 74.9 -61.4 -72.1 161.7 2.7 14.4 12.6 74 74 A P - 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.314 59.4-179.0 -59.9 128.5 0.4 15.8 15.4 75 75 A R - 0 0 36 -3,-0.1 -44,-0.0 1,-0.1 -3,-0.0 -0.817 35.1 -94.3-117.1 159.5 -0.1 19.6 15.4 76 76 A S > - 0 0 53 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.286 32.8-112.3 -69.2 158.1 -2.2 21.5 18.0 77 77 A E H > S+ 0 0 119 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.888 119.4 55.9 -57.1 -37.0 -5.8 22.3 17.2 78 78 A E H > S+ 0 0 151 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.870 105.9 48.4 -62.1 -46.5 -4.8 26.0 17.1 79 79 A Q H > S+ 0 0 58 2,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.845 112.1 49.7 -59.8 -41.5 -2.2 25.3 14.4 80 80 A K H X S+ 0 0 12 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.960 113.0 46.2 -61.9 -49.4 -4.7 23.3 12.3 81 81 A V H X S+ 0 0 46 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.901 113.9 49.6 -58.0 -44.1 -7.3 26.1 12.6 82 82 A C H X S+ 0 0 49 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.908 108.2 53.6 -62.4 -42.9 -4.7 28.6 11.7 83 83 A F H X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.948 105.8 52.0 -58.8 -49.7 -3.6 26.6 8.7 84 84 A Y H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.921 114.2 44.2 -55.2 -43.0 -7.1 26.4 7.2 85 85 A K H X S+ 0 0 124 -4,-1.7 4,-2.3 164,-0.2 -2,-0.2 0.934 114.8 46.3 -65.9 -46.6 -7.4 30.2 7.5 86 86 A L H X S+ 0 0 60 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.860 110.6 55.2 -66.6 -36.8 -4.0 31.1 6.2 87 87 A L H X S+ 0 0 1 -4,-3.0 4,-2.6 -5,-0.2 -1,-0.2 0.927 111.0 42.8 -62.2 -46.6 -4.5 28.6 3.3 88 88 A T H X S+ 0 0 10 -4,-1.9 4,-2.0 -5,-0.3 5,-0.2 0.880 113.3 53.7 -68.7 -34.5 -7.7 30.2 2.1 89 89 A G H X S+ 0 0 21 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.941 113.3 42.2 -60.9 -48.0 -6.3 33.6 2.6 90 90 A A H X>S+ 0 0 8 -4,-2.4 4,-2.9 1,-0.2 5,-0.5 0.860 112.0 52.8 -68.7 -40.2 -3.3 32.9 0.5 91 91 A L H X5S+ 0 0 0 -4,-2.6 6,-2.0 2,-0.2 4,-1.1 0.853 113.2 46.0 -67.1 -33.7 -5.2 31.0 -2.2 92 92 A E H X5S+ 0 0 89 -4,-2.0 4,-1.8 4,-0.2 -2,-0.2 0.973 119.6 37.8 -71.9 -56.2 -7.6 33.9 -2.6 93 93 A R H <5S+ 0 0 178 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.913 126.9 33.2 -57.4 -50.3 -4.9 36.6 -2.7 94 94 A D H <5S+ 0 0 91 -4,-2.9 -3,-0.2 -5,-0.2 -1,-0.2 0.839 136.3 19.9 -83.1 -29.4 -2.2 34.8 -4.7 95 95 A C H < - 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