==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 07-SEP-09 2WSJ . COMPND 2 MOLECULE: P-COUMARIC ACID DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS PLANTARUM; . AUTHOR H.RODRIGUEZ,I.ANGULO,B.DE LAS RIVAS,N.CAMPILLO,J.A.PAEZ,R.MU . 350 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14957.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 34.6 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 . 9 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 37 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 2 2 2 0 0 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 . 1 0 0 2 5 3 4 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 2 A T 0 0 187 0, 0.0 2,-0.4 0, 0.0 82,-0.0 0.000 360.0 360.0 360.0 131.3 -10.0 -18.0 18.1 2 3 A K - 0 0 95 2,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.905 360.0-125.0-110.1 142.1 -11.0 -16.1 21.3 3 4 A T - 0 0 93 -2,-0.4 2,-0.6 80,-0.0 59,-0.1 -0.733 16.9-144.7 -83.6 123.8 -14.2 -16.8 23.3 4 5 A F + 0 0 6 -2,-0.5 79,-0.1 1,-0.2 3,-0.1 -0.823 40.4 144.9 -86.9 121.3 -16.4 -13.7 23.9 5 6 A K + 0 0 108 -2,-0.6 57,-0.4 1,-0.2 2,-0.2 0.648 52.1 39.3-129.2 -34.4 -17.9 -14.0 27.4 6 7 A T S > S- 0 0 63 55,-0.1 4,-0.9 56,-0.1 3,-0.2 -0.692 80.0-108.3-118.8 170.0 -18.2 -10.6 29.0 7 8 A L H > S+ 0 0 55 -2,-0.2 4,-2.3 1,-0.2 3,-0.5 0.884 120.9 57.1 -62.5 -38.7 -19.2 -7.1 28.0 8 9 A D H 4 S+ 0 0 116 1,-0.2 -1,-0.2 2,-0.2 -4,-0.0 0.765 99.8 57.5 -61.3 -33.4 -15.5 -6.1 28.4 9 10 A D H 4 S+ 0 0 43 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.823 111.7 43.6 -62.5 -35.1 -14.5 -8.8 25.9 10 11 A F H >< S+ 0 0 0 -4,-0.9 3,-1.7 -3,-0.5 19,-0.2 0.913 92.9 89.0 -81.4 -48.1 -16.8 -7.1 23.3 11 12 A L T 3< S+ 0 0 16 -4,-2.3 19,-0.2 1,-0.3 132,-0.1 -0.222 91.6 26.7 -55.6 141.0 -15.9 -3.4 23.9 12 13 A G T 3 S+ 0 0 0 17,-3.0 130,-2.0 1,-0.3 131,-0.9 0.390 90.2 136.2 83.3 -0.0 -13.1 -2.1 21.8 13 14 A T E < -A 141 0A 2 -3,-1.7 16,-1.9 128,-0.2 2,-0.5 -0.605 44.3-149.7 -85.2 140.3 -13.7 -4.8 19.1 14 15 A H E -AB 140 28A 0 126,-2.9 126,-2.2 -2,-0.3 2,-0.3 -0.953 17.9-166.1-116.9 118.6 -13.7 -3.7 15.4 15 16 A F E -AB 139 27A 0 12,-3.1 12,-2.0 -2,-0.5 2,-0.4 -0.813 19.7-171.4-112.6 145.1 -15.9 -5.7 13.0 16 17 A I E +AB 138 26A 0 122,-1.7 121,-2.3 -2,-0.3 122,-1.6 -0.986 25.8 165.5-123.3 137.7 -16.3 -6.0 9.2 17 18 A Y E -AB 136 25A 3 8,-2.5 8,-2.8 -2,-0.4 2,-0.5 -0.997 32.3-140.0-153.0 152.7 -19.4 -7.9 8.0 18 19 A T E -AB 135 24A 48 117,-2.1 117,-2.1 -2,-0.3 6,-0.3 -0.974 23.4-139.2-115.1 120.1 -21.5 -8.7 5.0 19 20 A Y E > -A 134 0A 8 4,-3.5 3,-1.9 -2,-0.5 115,-0.3 -0.324 29.2-106.7 -67.8 158.2 -25.3 -8.8 5.4 20 21 A D T 3 S+ 0 0 99 113,-2.5 114,-0.1 1,-0.3 -1,-0.1 0.553 118.8 63.3 -64.1 -10.1 -27.3 -11.5 3.6 21 22 A N T 3 S- 0 0 52 112,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.229 124.4-100.0 -97.2 11.2 -28.6 -8.8 1.1 22 23 A G S < S+ 0 0 56 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.236 78.7 139.6 92.5 -12.1 -25.0 -8.2 -0.1 23 24 A W - 0 0 47 -5,-0.1 -4,-3.5 1,-0.0 2,-0.5 -0.504 40.0-151.6 -77.4 126.5 -24.5 -5.1 2.0 24 25 A E E +B 18 0A 39 -2,-0.3 16,-2.2 -6,-0.3 17,-1.8 -0.869 18.9 178.0-104.0 123.0 -21.0 -4.7 3.6 25 26 A Y E -BC 17 39A 17 -8,-2.8 -8,-2.5 -2,-0.5 2,-0.3 -0.778 18.6-154.9-121.4 161.5 -20.7 -2.8 6.9 26 27 A E E +BC 16 38A 0 12,-1.0 12,-2.3 -2,-0.3 2,-0.3 -0.997 19.4 174.5-139.0 136.9 -17.9 -1.9 9.4 27 28 A W E -BC 15 37A 1 -12,-2.0 -12,-3.1 -2,-0.3 2,-0.4 -0.998 14.5-161.8-152.1 144.2 -18.6 -1.1 13.0 28 29 A Y E -BC 14 36A 0 8,-3.0 8,-2.1 -2,-0.3 2,-1.4 -0.994 18.6-143.7-137.3 128.6 -16.6 -0.4 16.2 29 30 A A E + 0 0 0 -16,-1.9 -17,-3.0 -2,-0.4 6,-0.2 -0.680 26.0 178.0 -86.9 78.8 -17.6 -0.5 19.8 30 31 A K E - 0 0 2 -2,-1.4 115,-2.9 4,-0.4 2,-0.2 0.833 63.2 -33.2 -52.6 -44.1 -15.5 2.6 20.9 31 32 A N E > S- C 0 34A 17 3,-1.4 3,-1.1 113,-0.2 -19,-0.1 -0.887 84.5 -65.1-162.6-169.5 -16.7 2.4 24.5 32 33 A D T 3 S+ 0 0 87 1,-0.3 24,-0.6 -2,-0.2 3,-0.1 0.461 131.5 22.8 -76.5 1.8 -19.8 1.4 26.5 33 34 A H T 3 S+ 0 0 88 22,-0.1 21,-2.0 1,-0.1 2,-0.4 0.222 112.5 74.5-144.7 13.0 -22.0 4.2 25.1 34 35 A T E < -CD 31 53A 0 -3,-1.1 -3,-1.4 19,-0.3 -4,-0.4 -0.994 49.3-176.8-139.3 135.1 -20.3 5.1 21.8 35 36 A V E - D 0 52A 0 17,-2.8 17,-2.2 -2,-0.4 2,-0.4 -0.965 8.6-162.4-129.9 148.6 -20.1 3.5 18.4 36 37 A D E +C 28 0A 1 -8,-2.1 -8,-3.0 -2,-0.3 2,-0.3 -0.942 18.4 175.1-119.6 149.8 -18.3 4.4 15.1 37 38 A Y E -CD 27 49A 12 12,-2.5 12,-3.0 -2,-0.4 2,-0.3 -0.988 18.7-164.1-156.2 164.6 -19.2 2.9 11.7 38 39 A R E -CD 26 48A 0 -12,-2.3 -12,-1.0 -2,-0.3 2,-0.5 -0.969 16.4-141.6-157.1 123.0 -18.4 3.0 8.0 39 40 A I E +C 25 0A 3 8,-3.1 7,-3.0 -2,-0.3 -14,-0.2 -0.815 20.6 172.0-105.8 127.5 -20.5 1.6 5.2 40 41 A H + 0 0 34 -16,-2.2 2,-0.3 -2,-0.5 -15,-0.2 0.787 63.5 22.9-102.4 -35.6 -18.9 -0.0 2.1 41 42 A G S S+ 0 0 20 -17,-1.8 -1,-0.2 4,-0.1 3,-0.2 -0.959 89.4 36.3-140.3 153.8 -21.7 -1.5 0.1 42 43 A G S > S- 0 0 37 -2,-0.3 3,-1.6 1,-0.2 -20,-0.0 -0.572 100.7 -25.6 105.5-167.4 -25.4 -1.1 -0.4 43 44 A M T 3 S+ 0 0 42 1,-0.3 -1,-0.2 -2,-0.2 -20,-0.0 0.784 139.0 29.6 -50.6 -45.0 -27.9 1.8 -0.6 44 45 A V T > S+ 0 0 3 -3,-0.2 3,-1.6 60,-0.1 -1,-0.3 -0.033 83.8 157.2-113.4 29.5 -26.0 4.3 1.6 45 46 A A T < + 0 0 30 -3,-1.6 -5,-0.2 1,-0.2 3,-0.1 -0.266 61.3 38.2 -56.8 137.8 -22.4 3.1 0.8 46 47 A G T 3 S+ 0 0 26 -7,-3.0 -1,-0.2 1,-0.4 2,-0.2 0.081 87.2 123.9 103.0 -21.1 -19.7 5.7 1.4 47 48 A R < + 0 0 10 -3,-1.6 -8,-3.1 58,-0.2 -1,-0.4 -0.486 36.0 179.2 -74.4 140.3 -21.4 7.0 4.6 48 49 A W E -De 38 107A 25 58,-2.0 60,-1.8 -10,-0.2 2,-0.4 -0.996 9.8-166.7-147.5 152.4 -19.4 7.0 7.8 49 50 A V E -D 37 0A 1 -12,-3.0 -12,-2.5 -2,-0.3 2,-0.3 -0.997 1.3-169.9-143.8 125.4 -20.1 8.1 11.4 50 51 A T E + 0 0 11 -2,-0.4 -14,-0.2 -14,-0.2 101,-0.0 -0.914 69.2 16.9-115.3 151.9 -18.0 8.7 14.5 51 52 A D E S+ 0 0 80 -2,-0.3 2,-0.5 1,-0.2 -15,-0.2 0.791 72.5 167.3 66.6 34.5 -19.0 9.3 18.1 52 53 A Q E -D 35 0A 23 -17,-2.2 -17,-2.8 -3,-0.2 2,-0.2 -0.700 34.7-126.5 -81.0 124.8 -22.6 8.0 17.8 53 54 A K E +D 34 0A 117 -2,-0.5 16,-0.4 -19,-0.2 2,-0.3 -0.534 39.1 170.2 -75.3 137.1 -24.2 7.5 21.2 54 55 A A - 0 0 12 -21,-2.0 2,-0.5 -2,-0.2 14,-0.2 -0.996 40.4-119.7-151.3 143.6 -25.7 4.1 21.8 55 56 A D E -F 67 0A 54 12,-2.6 12,-2.5 -2,-0.3 2,-0.4 -0.809 37.0-174.6 -81.9 125.5 -27.1 1.7 24.3 56 57 A I E +F 66 0A 11 -24,-0.6 2,-0.3 -2,-0.5 10,-0.2 -0.972 10.0 161.2-128.9 115.5 -24.8 -1.3 24.5 57 58 A V E -F 65 0A 26 8,-2.5 8,-2.2 -2,-0.4 2,-0.6 -0.904 40.9-121.7-127.3 158.1 -25.7 -4.4 26.6 58 59 A M E -F 64 0A 63 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.914 22.1-166.6 -91.7 122.1 -24.7 -8.1 26.9 59 60 A L E - 0 0 10 4,-2.5 2,-0.3 -2,-0.6 -1,-0.2 0.916 68.8 -31.1 -71.4 -47.0 -28.0 -10.0 26.5 60 61 A T E > S-F 63 0A 33 3,-1.0 3,-2.7 -3,-0.1 -1,-0.4 -0.903 104.8 -34.3-163.6 172.4 -26.5 -13.3 27.7 61 62 A E T 3 S- 0 0 137 -2,-0.3 -55,-0.1 1,-0.3 -56,-0.1 -0.099 128.7 -6.7 -49.2 112.7 -23.0 -14.8 27.6 62 63 A G T 3 S+ 0 0 2 -57,-0.4 21,-0.5 1,-0.2 2,-0.4 0.524 108.1 107.8 81.5 7.5 -21.3 -13.9 24.4 63 64 A I E < -F 60 0A 12 -3,-2.7 -4,-2.5 -58,-0.2 -3,-1.0 -0.981 48.2-168.3-121.5 125.7 -24.4 -12.1 22.8 64 65 A Y E -FG 58 80A 0 16,-2.2 16,-3.3 -2,-0.4 2,-0.4 -0.936 7.8-162.1-126.5 128.3 -24.4 -8.3 22.5 65 66 A K E -FG 57 79A 0 -8,-2.2 -8,-2.5 -2,-0.4 2,-0.4 -0.924 7.4-172.6-113.6 131.0 -27.2 -5.9 21.6 66 67 A I E -FG 56 78A 0 12,-2.8 12,-2.9 -2,-0.4 2,-0.4 -0.983 1.8-176.1-126.5 130.9 -26.7 -2.3 20.4 67 68 A S E +FG 55 77A 2 -12,-2.5 -12,-2.6 -2,-0.4 2,-0.3 -0.986 11.9 152.7-126.9 135.6 -29.3 0.4 19.9 68 69 A W E - G 0 76A 15 8,-1.5 8,-2.6 -2,-0.4 2,-0.4 -0.985 31.3-138.4-150.3 155.4 -29.0 3.9 18.6 69 70 A T E - G 0 75A 38 -16,-0.4 6,-0.2 -2,-0.3 -16,-0.1 -0.933 27.7-135.8-110.4 146.2 -31.1 6.5 16.7 70 71 A S > - 0 0 5 4,-2.7 3,-1.5 -2,-0.4 -18,-0.0 -0.607 20.5-116.7-102.4 154.1 -29.4 8.6 14.0 71 72 A P T 3 S+ 0 0 19 0, 0.0 48,-0.3 0, 0.0 -1,-0.1 0.572 119.3 59.1 -55.4 -16.3 -29.5 12.4 13.1 72 73 A T T 3 S- 0 0 2 2,-0.1 3,-0.1 46,-0.1 25,-0.1 0.648 124.2-107.1 -83.9 -20.9 -31.1 11.2 9.8 73 74 A G S < S+ 0 0 0 -3,-1.5 2,-0.2 1,-0.3 43,-0.0 0.258 73.2 142.9 105.4 -7.4 -34.0 9.6 11.8 74 75 A T - 0 0 12 -5,-0.1 -4,-2.7 19,-0.1 2,-0.4 -0.473 37.8-152.3 -69.1 130.6 -32.8 6.1 11.2 75 76 A D E -GH 69 92A 0 17,-1.5 17,-3.0 -6,-0.2 2,-0.4 -0.884 13.3-166.6-105.8 138.7 -33.2 3.6 14.2 76 77 A V E -GH 68 91A 9 -8,-2.6 -8,-1.5 -2,-0.4 2,-0.3 -0.970 18.5-178.6-132.3 142.2 -30.9 0.7 14.6 77 78 A A E -GH 67 90A 0 13,-1.8 13,-1.9 -2,-0.4 2,-0.4 -0.891 14.4-174.1-138.8 105.7 -30.8 -2.5 16.6 78 79 A L E -GH 66 89A 2 -12,-2.9 -12,-2.8 -2,-0.3 2,-0.5 -0.853 9.7-165.4-104.6 135.2 -27.7 -4.8 16.2 79 80 A D E -GH 65 88A 0 9,-3.1 9,-2.4 -2,-0.4 2,-0.4 -0.961 11.1-159.3-119.3 110.8 -27.2 -8.3 17.8 80 81 A F E +GH 64 87A 0 -16,-3.3 -16,-2.2 -2,-0.5 7,-0.2 -0.761 18.3 177.0 -92.7 131.6 -23.7 -9.6 17.7 81 82 A M E > > + H 0 86A 2 5,-2.8 5,-1.8 -2,-0.4 3,-1.6 -0.635 14.1 166.0-124.7 70.2 -23.0 -13.3 18.1 82 83 A P G > 5 + 0 0 4 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.693 67.6 64.1 -67.7 -24.6 -19.2 -13.2 17.6 83 84 A N G 3 5S+ 0 0 76 -21,-0.5 -20,-0.1 1,-0.2 -21,-0.0 0.569 113.3 38.6 -70.8 -10.4 -18.4 -16.8 18.9 84 85 A E G < 5S- 0 0 93 -3,-1.6 -1,-0.2 2,-0.2 3,-0.1 0.279 112.6-120.8-116.5 2.1 -20.4 -17.9 15.9 85 86 A K T < 5S+ 0 0 122 -3,-0.7 51,-2.2 1,-0.2 2,-0.3 0.877 75.0 119.1 54.6 43.9 -19.0 -15.2 13.5 86 87 A K E < -HI 81 135A 78 -5,-1.8 -5,-2.8 49,-0.2 2,-0.3 -0.927 40.2-177.6-139.9 159.0 -22.6 -14.0 13.0 87 88 A L E -HI 80 134A 0 47,-1.5 47,-2.3 -2,-0.3 2,-0.4 -0.953 12.9-150.6-150.4 152.7 -24.7 -10.8 13.6 88 89 A H E -HI 79 133A 1 -9,-2.4 -9,-3.1 -2,-0.3 2,-0.4 -0.989 18.4-177.6-131.1 132.6 -28.3 -9.7 13.1 89 90 A G E -HI 78 132A 0 43,-2.5 43,-2.5 -2,-0.4 2,-0.5 -0.986 17.1-164.2-130.3 137.1 -29.4 -6.2 12.3 90 91 A T E -HI 77 131A 0 -13,-1.9 -13,-1.8 -2,-0.4 2,-0.5 -0.991 11.7-170.1-113.8 122.5 -32.6 -4.3 11.9 91 92 A I E -HI 76 130A 10 39,-1.7 39,-2.6 -2,-0.5 2,-0.8 -0.958 8.2-159.1-108.8 123.8 -32.4 -0.9 10.3 92 93 A F E -HI 75 129A 0 -17,-3.0 -17,-1.5 -2,-0.5 37,-0.2 -0.820 17.1-166.0-106.1 94.3 -35.5 1.3 10.3 93 94 A F E - 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