==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 01-JUN-10 3NAD . COMPND 2 MOLECULE: FERULATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS PUMILUS; . AUTHOR A.MATTE,S.GROSSE,H.BERGERON,K.ABOKITSE,P.C.K.LAU . 320 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13803.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 119 37.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 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 . 31 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 0 0 0 2 4 5 3 2 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 0 0 0 0 2 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 69 0, 0.0 4,-3.1 0, 0.0 3,-1.0 0.000 360.0 360.0 360.0 -32.3 -19.4 -34.2 -36.5 2 2 A D T 34 + 0 0 122 1,-0.3 24,-0.0 2,-0.2 0, 0.0 0.644 360.0 55.6 -71.7 -14.6 -18.0 -37.8 -37.1 3 3 A Q T 34 S+ 0 0 132 1,-0.1 -1,-0.3 3,-0.0 0, 0.0 0.700 116.9 35.7 -82.9 -22.9 -14.5 -36.4 -36.7 4 4 A F T X4 S+ 0 0 0 -3,-1.0 3,-2.0 2,-0.1 19,-0.2 0.835 96.1 82.4-102.1 -44.8 -15.3 -34.9 -33.3 5 5 A V T 3< S+ 0 0 14 -4,-3.1 19,-0.1 1,-0.3 132,-0.1 -0.485 97.0 31.8 -65.2 129.8 -17.7 -37.4 -31.7 6 6 A G T 3 S+ 0 0 0 17,-2.4 130,-2.5 1,-0.4 131,-0.6 0.269 86.7 140.0 102.5 -8.0 -15.6 -40.1 -30.1 7 7 A L E < -A 135 0A 13 -3,-2.0 16,-2.9 128,-0.2 2,-0.5 -0.472 38.4-158.4 -70.2 139.2 -12.6 -37.9 -29.4 8 8 A H E +AB 134 22A 0 126,-2.8 126,-2.1 14,-0.2 2,-0.3 -0.985 24.9 175.3-113.6 120.9 -10.8 -38.3 -26.1 9 9 A M E -AB 133 21A 0 12,-2.9 12,-2.5 -2,-0.5 2,-0.4 -0.946 29.1-160.7-130.6 149.8 -8.9 -35.2 -25.1 10 10 A I E -AB 132 20A 0 122,-1.9 121,-2.0 -2,-0.3 122,-1.4 -0.991 16.8-169.4-118.2 136.7 -6.8 -33.6 -22.4 11 11 A Y E -AB 130 19A 14 8,-3.0 8,-2.9 -2,-0.4 2,-0.5 -0.980 5.8-154.3-126.2 145.6 -6.4 -29.9 -22.3 12 12 A T E -AB 129 18A 27 117,-2.6 117,-1.8 -2,-0.4 6,-0.2 -0.967 7.6-141.7-126.1 124.7 -3.9 -28.0 -20.1 13 13 A Y > - 0 0 21 4,-2.4 3,-2.1 -2,-0.5 115,-0.1 -0.296 34.7-100.5 -79.2 168.0 -4.3 -24.4 -18.9 14 14 A E T 3 S+ 0 0 189 113,-0.4 -1,-0.1 1,-0.3 114,-0.1 0.843 124.2 56.7 -59.1 -33.9 -1.4 -21.9 -18.6 15 15 A N T 3 S- 0 0 91 1,-0.1 -1,-0.3 2,-0.1 21,-0.1 0.474 122.5-106.1 -78.6 -1.6 -1.3 -22.6 -14.8 16 16 A G < + 0 0 38 -3,-2.1 -2,-0.1 1,-0.3 2,-0.1 0.304 68.5 148.1 97.7 -8.6 -0.8 -26.3 -15.5 17 17 A W - 0 0 83 -5,-0.1 -4,-2.4 1,-0.1 2,-0.5 -0.389 36.3-147.3 -61.6 135.7 -4.3 -27.6 -14.6 18 18 A E E -B 12 0A 36 -6,-0.2 16,-2.4 -2,-0.1 17,-0.7 -0.937 15.4-174.5-116.2 122.5 -5.2 -30.6 -16.7 19 19 A Y E -BC 11 33A 25 -8,-2.9 -8,-3.0 -2,-0.5 2,-0.4 -0.915 7.6-158.0-116.2 140.1 -8.8 -31.3 -17.7 20 20 A E E +BC 10 32A 2 12,-2.5 12,-2.4 -2,-0.4 2,-0.3 -0.954 11.3 178.4-124.7 136.7 -9.9 -34.4 -19.6 21 21 A I E -BC 9 31A 2 -12,-2.5 -12,-2.9 -2,-0.4 2,-0.5 -0.989 14.9-160.2-137.3 146.9 -13.0 -35.0 -21.7 22 22 A Y E -BC 8 30A 0 8,-2.7 8,-2.0 -2,-0.3 2,-1.6 -0.983 14.7-147.2-129.1 120.3 -14.5 -37.8 -23.7 23 23 A I E + C 0 29A 0 -16,-2.9 -17,-2.4 -2,-0.5 6,-0.2 -0.652 25.7 177.9 -84.2 84.7 -17.1 -37.0 -26.4 24 24 A K E - 0 0 2 -2,-1.6 115,-2.9 4,-0.6 2,-0.3 0.855 59.0 -22.4 -67.6 -41.1 -18.9 -40.3 -25.9 25 25 A N E > S- C 0 28A 23 3,-1.8 3,-1.1 113,-0.2 -19,-0.2 -0.897 84.3 -72.7-154.2-172.6 -21.6 -39.7 -28.4 26 26 A D T 3 S+ 0 0 103 -2,-0.3 24,-0.5 1,-0.2 3,-0.1 0.524 130.7 23.1 -72.8 1.2 -23.4 -36.9 -30.2 27 27 A H T 3 S+ 0 0 79 1,-0.1 21,-2.3 22,-0.1 2,-0.4 0.204 114.6 68.0-143.9 18.3 -25.2 -35.8 -27.0 28 28 A T E < -CD 25 47A 13 -3,-1.1 -3,-1.8 19,-0.3 -4,-0.6 -0.999 48.1-178.4-145.7 139.0 -23.1 -37.1 -24.1 29 29 A I E -CD 23 46A 0 17,-2.1 17,-2.6 -2,-0.4 2,-0.4 -0.942 13.2-155.3-128.3 155.1 -19.8 -36.6 -22.5 30 30 A D E -C 22 0A 0 -8,-2.0 -8,-2.7 -2,-0.3 2,-0.3 -0.927 24.0-174.9-112.8 151.9 -17.7 -38.0 -19.6 31 31 A Y E -CD 21 43A 22 12,-3.1 12,-2.9 -2,-0.4 2,-0.3 -0.985 17.3-167.1-150.0 163.6 -15.1 -35.9 -17.9 32 32 A R E -CD 20 42A 8 -12,-2.4 -12,-2.5 -2,-0.3 2,-0.5 -0.980 12.4-148.5-153.3 126.4 -12.4 -36.0 -15.3 33 33 A I E -C 19 0A 9 8,-2.9 7,-3.0 -2,-0.3 -14,-0.2 -0.899 12.5-177.7-106.1 124.8 -10.5 -33.1 -13.7 34 34 A H + 0 0 35 -16,-2.4 2,-0.3 -2,-0.5 -15,-0.1 0.624 60.4 5.9 -99.7 -17.1 -6.9 -33.9 -12.7 35 35 A S S S+ 0 0 35 -17,-0.7 3,-0.4 115,-0.0 2,-0.1 -0.965 86.6 51.7-158.6 170.3 -5.6 -30.8 -11.0 36 36 A G S > S- 0 0 35 -2,-0.3 3,-1.9 1,-0.2 -3,-0.0 -0.421 102.7 -28.0 91.1-167.6 -6.6 -27.4 -9.7 37 37 A M T 3 S+ 0 0 130 1,-0.3 -1,-0.2 -2,-0.1 62,-0.1 0.764 144.5 31.1 -61.4 -30.4 -9.3 -26.2 -7.4 38 38 A V T > S+ 0 0 15 -3,-0.4 3,-2.2 3,-0.1 -1,-0.3 0.086 81.8 149.7-116.9 26.7 -11.7 -29.1 -8.4 39 39 A G T < + 0 0 25 -3,-1.9 -5,-0.2 1,-0.3 3,-0.1 -0.334 65.4 39.3 -54.9 134.3 -9.1 -31.7 -9.1 40 40 A G T 3 S+ 0 0 27 -7,-3.0 -1,-0.3 1,-0.4 2,-0.2 0.077 85.4 124.2 106.5 -21.8 -10.6 -35.1 -8.3 41 41 A R < + 0 0 6 -3,-2.2 -8,-2.9 58,-0.2 -1,-0.4 -0.507 34.2 170.7 -70.8 136.9 -14.0 -34.2 -9.7 42 42 A W E -De 32 101A 22 58,-2.0 60,-2.4 -10,-0.2 2,-0.4 -0.997 13.9-165.9-151.5 155.0 -15.3 -36.5 -12.4 43 43 A V E -D 31 0A 2 -12,-2.9 -12,-3.1 -2,-0.3 2,-0.3 -0.997 2.5-163.7-145.6 135.0 -18.5 -37.0 -14.2 44 44 A R E S+ 0 0 37 -2,-0.4 -14,-0.2 -14,-0.2 101,-0.0 -0.917 70.1 12.3-118.1 149.7 -20.1 -39.7 -16.5 45 45 A D E S+ 0 0 88 -2,-0.3 2,-0.6 1,-0.2 -15,-0.2 0.836 71.5 172.9 62.9 37.9 -23.1 -39.5 -18.8 46 46 A Q E -D 29 0A 26 -17,-2.6 -17,-2.1 -3,-0.2 2,-0.2 -0.701 31.2-129.6 -79.0 119.9 -23.5 -35.8 -18.9 47 47 A E E +D 28 0A 114 -2,-0.6 2,-0.3 -19,-0.2 16,-0.3 -0.513 39.3 172.3 -68.1 133.1 -26.1 -34.8 -21.4 48 48 A V - 0 0 9 -21,-2.3 2,-0.5 -2,-0.2 14,-0.2 -0.918 38.2-118.8-140.3 162.8 -24.8 -32.0 -23.7 49 49 A N E -F 61 0A 44 12,-2.7 12,-2.4 -2,-0.3 2,-0.5 -0.939 34.2-174.3 -99.5 122.9 -25.5 -30.0 -26.9 50 50 A I E +F 60 0A 16 -2,-0.5 2,-0.3 -24,-0.5 10,-0.2 -0.987 9.0 164.4-122.9 125.6 -22.8 -30.6 -29.5 51 51 A V E -F 59 0A 14 8,-2.1 8,-2.4 -2,-0.5 2,-0.6 -0.953 36.4-127.5-134.1 156.3 -22.6 -28.7 -32.8 52 52 A K E -F 58 0A 83 -2,-0.3 6,-0.3 6,-0.2 3,-0.1 -0.923 20.0-172.2-100.5 116.4 -20.1 -28.0 -35.5 53 53 A L E - 0 0 8 4,-2.1 2,-0.3 -2,-0.6 5,-0.2 0.868 64.9 -39.7 -76.5 -39.1 -19.8 -24.3 -36.1 54 54 A T E > S-F 57 0A 30 3,-1.2 3,-2.3 165,-0.0 -1,-0.3 -0.928 97.4 -32.5-168.6-178.3 -17.7 -24.5 -39.2 55 55 A K T 3 S- 0 0 159 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.303 130.5 -2.2 -52.9 122.3 -14.8 -26.6 -40.5 56 56 A G T 3 S+ 0 0 21 1,-0.1 2,-0.4 21,-0.0 21,-0.3 0.552 110.2 103.8 76.7 9.4 -12.6 -27.6 -37.5 57 57 A V E < +F 54 0A 4 -3,-2.3 -4,-2.1 18,-0.2 -3,-1.2 -0.977 43.4 174.9-130.0 122.3 -14.6 -25.7 -34.9 58 58 A Y E -FG 52 74A 11 16,-2.4 16,-2.0 -2,-0.4 2,-0.4 -0.827 16.4-150.4-125.3 158.9 -17.0 -27.5 -32.5 59 59 A K E -FG 51 73A 0 -8,-2.4 -8,-2.1 -2,-0.3 2,-0.4 -0.999 8.1-174.5-134.1 130.6 -19.1 -26.4 -29.5 60 60 A V E +FG 50 72A 0 12,-2.8 12,-3.1 -2,-0.4 2,-0.3 -0.989 15.7 172.7-127.0 119.7 -20.1 -28.5 -26.4 61 61 A S E +FG 49 71A 4 -12,-2.4 -12,-2.7 -2,-0.4 2,-0.3 -0.969 5.8 142.8-134.6 145.8 -22.5 -26.9 -23.9 62 62 A W E - G 0 70A 15 8,-2.2 8,-2.9 -2,-0.3 2,-0.4 -0.987 37.9-121.0-166.8 164.1 -24.4 -28.0 -20.9 63 63 A T E - G 0 69A 40 -2,-0.3 6,-0.2 -16,-0.3 -16,-0.1 -0.929 31.7-138.6-116.0 150.9 -25.7 -27.2 -17.4 64 64 A E > - 0 0 12 4,-2.8 3,-2.0 -2,-0.4 -18,-0.0 -0.614 24.6-110.5-109.3 162.0 -24.7 -29.3 -14.4 65 65 A P T 3 S+ 0 0 19 0, 0.0 48,-0.2 0, 0.0 -1,-0.1 0.709 119.8 59.3 -60.3 -21.3 -26.5 -30.7 -11.2 66 66 A T T 3 S- 0 0 1 2,-0.1 25,-0.1 46,-0.1 3,-0.1 0.591 122.1-108.2 -79.7 -13.5 -24.4 -28.1 -9.3 67 67 A G S < S+ 0 0 0 -3,-2.0 2,-0.1 1,-0.4 19,-0.0 0.227 73.7 140.8 100.8 -12.5 -26.0 -25.3 -11.3 68 68 A T - 0 0 3 -5,-0.1 -4,-2.8 19,-0.1 2,-0.4 -0.401 40.0-150.2 -65.0 137.7 -22.8 -24.6 -13.2 69 69 A D E -GH 63 86A 0 17,-1.9 17,-3.0 -6,-0.2 2,-0.4 -0.899 14.5-169.0-108.8 143.0 -23.3 -23.7 -16.9 70 70 A V E +GH 62 85A 5 -8,-2.9 -8,-2.2 -2,-0.4 2,-0.4 -0.993 17.6 178.3-137.6 136.0 -20.6 -24.6 -19.4 71 71 A S E -GH 61 84A 0 13,-2.3 13,-1.9 -2,-0.4 2,-0.4 -0.909 14.6-178.9-137.3 111.7 -19.8 -23.7 -23.0 72 72 A L E -GH 60 83A 1 -12,-3.1 -12,-2.8 -2,-0.4 2,-0.4 -0.860 12.4-159.6-107.3 142.2 -16.7 -25.1 -24.6 73 73 A N E -GH 59 82A 0 9,-3.2 9,-2.3 -2,-0.4 2,-0.4 -0.975 9.0-160.2-115.4 139.3 -15.3 -24.6 -28.1 74 74 A F E -GH 58 81A 0 -16,-2.0 -16,-2.4 -2,-0.4 7,-0.2 -0.963 15.6-176.6-119.8 134.3 -12.8 -27.1 -29.6 75 75 A M E > > + H 0 80A 2 5,-2.9 5,-1.7 -2,-0.4 3,-1.3 -0.744 12.7 177.8-123.9 77.5 -10.4 -26.3 -32.5 76 76 A P G > 5S+ 0 0 23 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.820 73.9 55.7 -59.0 -38.0 -8.8 -29.8 -32.8 77 77 A E G 3 5S+ 0 0 154 -21,-0.3 -20,-0.1 1,-0.3 -21,-0.0 0.753 114.1 41.0 -67.6 -24.4 -6.6 -29.0 -35.9 78 78 A E G < 5S- 0 0 102 -3,-1.3 -1,-0.3 -22,-0.2 52,-0.1 0.347 108.9-126.9 -99.7 4.8 -5.0 -26.0 -34.0 79 79 A K T < 5 + 0 0 114 -3,-1.1 51,-2.5 -4,-0.4 2,-0.3 0.878 69.4 121.3 48.8 45.1 -4.8 -28.0 -30.8 80 80 A R E < -HI 75 129A 82 -5,-1.7 -5,-2.9 49,-0.3 2,-0.3 -0.950 38.8-177.0-132.5 152.1 -6.7 -25.2 -29.0 81 81 A M E -HI 74 128A 0 47,-2.3 47,-2.3 -2,-0.3 2,-0.4 -0.963 10.8-154.9-139.0 159.7 -9.9 -24.9 -27.0 82 82 A H E -HI 73 127A 2 -9,-2.3 -9,-3.2 -2,-0.3 2,-0.4 -0.995 15.0-173.4-132.3 133.6 -11.8 -22.1 -25.3 83 83 A G E -HI 72 126A 2 43,-2.5 43,-2.4 -2,-0.4 2,-0.4 -0.939 14.3-166.5-124.2 145.9 -14.1 -22.5 -22.4 84 84 A V E -HI 71 125A 0 -13,-1.9 -13,-2.3 -2,-0.4 2,-0.4 -0.994 12.5-172.2-124.4 128.6 -16.5 -20.3 -20.4 85 85 A I E -HI 70 124A 26 39,-1.6 39,-2.8 -2,-0.4 2,-0.8 -0.971 13.3-154.9-121.6 130.6 -17.8 -21.6 -17.2 86 86 A F E -HI 69 123A 0 -17,-3.0 -17,-1.9 -2,-0.4 37,-0.2 -0.893 20.0-166.3-107.0 99.8 -20.5 -19.8 -15.2 87 87 A F E - 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