==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-JUL-12 4G22 . COMPND 2 MOLECULE: HYDROXYCINNAMOYL-COA SHIKIMATE/QUINATE . SOURCE 2 ORGANISM_SCIENTIFIC: COFFEA CANEPHORA; . AUTHOR A.A.MCCARTHY,L.A.LALLEMAND,J.G.MCCARTHY . 837 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34472.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 531 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 14.5 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 65 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 19.8 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+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 3 0 2 0 0 2 0 4 2 2 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 2 0 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 PARALLEL BRIDGES PER LADDER . 0 2 2 6 4 0 3 3 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 . 2 2 0 0 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 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 68 0, 0.0 2,-0.4 0, 0.0 97,-0.0 0.000 360.0 360.0 360.0 123.5 3.6 -9.7 -12.1 2 2 A K - 0 0 34 427,-0.1 97,-2.1 2,-0.0 2,-0.4 -0.777 360.0-169.7 -90.8 133.0 2.7 -6.0 -13.0 3 3 A I E -A 98 0A 21 -2,-0.4 2,-0.5 95,-0.2 95,-0.2 -0.985 6.5-169.1-122.7 118.6 -0.9 -5.0 -12.0 4 4 A E E -A 97 0A 66 93,-3.0 93,-2.3 -2,-0.4 2,-0.5 -0.905 20.2-131.6-109.7 130.2 -1.9 -1.6 -13.4 5 5 A V E +A 96 0A 24 422,-2.4 91,-0.3 -2,-0.5 3,-0.1 -0.661 26.0 178.3 -78.5 131.5 -5.1 0.2 -12.2 6 6 A K E - 0 0 80 89,-2.9 2,-0.3 -2,-0.5 90,-0.2 0.798 63.9 -1.9 -99.0 -40.4 -7.0 1.4 -15.3 7 7 A E E -A 95 0A 85 88,-1.7 88,-2.9 2,-0.0 2,-0.4 -0.990 54.6-164.0-151.5 147.7 -10.1 3.0 -13.8 8 8 A S E -A 94 0A 41 -2,-0.3 2,-0.4 86,-0.2 86,-0.2 -0.990 14.4-178.6-134.2 136.6 -11.5 3.5 -10.2 9 9 A T E -A 93 0A 45 84,-2.5 84,-2.9 -2,-0.4 2,-0.9 -0.997 28.3-139.5-134.4 136.3 -15.1 4.5 -9.6 10 10 A M E -A 92 0A 54 -2,-0.4 2,-0.6 82,-0.2 82,-0.2 -0.858 33.0-151.1 -88.4 109.7 -17.1 5.3 -6.4 11 11 A V E -A 91 0A 10 80,-3.0 80,-2.2 -2,-0.9 3,-0.1 -0.731 11.0-162.4 -91.4 124.3 -20.3 3.5 -7.3 12 12 A R - 0 0 145 -2,-0.6 52,-0.2 78,-0.2 77,-0.1 -0.509 35.6 -80.0 -98.4 160.7 -23.4 4.9 -5.7 13 13 A P - 0 0 17 0, 0.0 49,-0.2 0, 0.0 -1,-0.1 -0.348 44.4-114.6 -58.1 150.5 -26.8 3.2 -5.3 14 14 A A S S+ 0 0 55 47,-2.1 2,-0.3 46,-0.1 48,-0.1 0.670 96.5 10.8 -67.0 -20.5 -28.8 3.4 -8.6 15 15 A Q S S- 0 0 131 46,-0.3 2,-0.0 47,-0.1 0, 0.0 -0.954 104.9 -66.5-149.5 166.7 -31.4 5.6 -6.9 16 16 A E - 0 0 178 -2,-0.3 -2,-0.1 1,-0.1 72,-0.0 -0.288 50.1-157.4 -61.1 147.7 -31.7 7.5 -3.6 17 17 A T - 0 0 24 1,-0.1 -1,-0.1 51,-0.1 48,-0.1 -0.772 26.7 -85.3-123.7 158.8 -31.8 5.3 -0.6 18 18 A P - 0 0 77 0, 0.0 2,-0.2 0, 0.0 70,-0.2 -0.197 38.6-123.5 -64.2 146.3 -33.2 6.0 3.0 19 19 A G + 0 0 65 68,-0.1 2,-0.3 2,-0.0 68,-0.1 -0.584 41.6 152.2 -83.2 155.6 -31.0 7.7 5.6 20 20 A R - 0 0 90 66,-0.3 66,-2.9 -2,-0.2 2,-0.8 -0.880 47.6-126.8-174.9 153.4 -30.5 6.0 8.9 21 21 A N E -F 85 0B 90 -2,-0.3 2,-0.6 64,-0.2 64,-0.2 -0.922 38.1-149.9-110.5 96.4 -27.9 5.9 11.7 22 22 A L E -F 84 0B 2 62,-3.2 62,-2.6 -2,-0.8 2,-0.1 -0.659 8.0-133.1 -84.2 116.3 -27.5 2.1 11.8 23 23 A W - 0 0 38 -2,-0.6 2,-0.5 60,-0.2 162,-0.4 -0.365 13.6-142.4 -67.7 137.3 -26.6 0.8 15.3 24 24 A N - 0 0 0 58,-0.5 131,-0.1 -2,-0.1 262,-0.0 -0.932 13.0-135.7-100.3 131.8 -23.7 -1.7 15.6 25 25 A S >> - 0 0 0 -2,-0.5 4,-1.7 262,-0.1 3,-0.9 -0.207 34.0 -96.3 -73.8 171.8 -24.0 -4.6 18.1 26 26 A N H 3> S+ 0 0 2 162,-0.5 4,-1.6 1,-0.3 -1,-0.1 0.801 127.8 52.8 -62.9 -29.0 -21.1 -5.5 20.3 27 27 A V H 34 S+ 0 0 9 2,-0.2 -1,-0.3 1,-0.2 262,-0.2 0.602 106.0 52.7 -83.9 -14.9 -20.2 -8.3 17.9 28 28 A D H <4 S+ 0 0 0 -3,-0.9 -2,-0.2 259,-0.1 -1,-0.2 0.794 112.1 47.7 -76.6 -24.4 -20.2 -5.8 15.0 29 29 A L H < S+ 0 0 24 -4,-1.7 -2,-0.2 2,-0.1 2,-0.2 0.799 96.0 82.5 -86.4 -31.1 -17.7 -3.6 17.1 30 30 A V S < S- 0 0 12 -4,-1.6 309,-0.1 -5,-0.2 312,-0.1 -0.514 89.2-117.1 -72.9 133.6 -15.3 -6.5 18.0 31 31 A V - 0 0 60 307,-0.3 2,-0.3 310,-0.3 312,-0.1 -0.610 32.8-130.0 -61.6 116.6 -12.7 -7.4 15.3 32 32 A P > - 0 0 26 0, 0.0 3,-1.0 0, 0.0 258,-0.1 -0.656 9.2-130.5 -72.6 138.2 -13.6 -11.0 14.3 33 33 A N T 3 S+ 0 0 14 -2,-0.3 315,-0.1 1,-0.2 321,-0.0 0.775 103.3 41.5 -40.2 -39.2 -10.5 -13.3 14.3 34 34 A F T 3 S+ 0 0 15 321,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.325 77.5 136.9-114.1 10.1 -11.1 -14.8 10.9 35 35 A H < + 0 0 73 -3,-1.0 122,-0.0 122,-0.0 118,-0.0 -0.336 28.6 156.4 -54.4 128.5 -12.1 -11.7 9.0 36 36 A T - 0 0 23 -2,-0.1 115,-0.2 345,-0.1 2,-0.1 -0.999 45.0-110.0-156.5 148.7 -10.4 -11.6 5.6 37 37 A P - 0 0 21 0, 0.0 342,-2.7 0, 0.0 2,-0.3 -0.410 39.9-144.3 -72.6 162.3 -10.7 -10.2 2.1 38 38 A S E -BC 149 378A 14 111,-2.2 111,-2.8 340,-0.3 2,-0.4 -0.878 9.0-152.0-128.9 160.3 -11.6 -12.9 -0.6 39 39 A V E -BC 148 377A 0 338,-2.7 338,-2.2 -2,-0.3 2,-0.3 -0.999 3.9-163.1-134.0 137.2 -10.6 -13.5 -4.2 40 40 A Y E -BC 147 376A 1 107,-2.8 107,-2.2 -2,-0.4 2,-0.4 -0.877 7.4-155.5-116.2 142.5 -12.6 -15.2 -7.0 41 41 A F E -BC 146 375A 0 334,-2.3 333,-2.1 -2,-0.3 334,-1.1 -0.978 9.2-170.3-119.2 137.9 -11.0 -16.5 -10.3 42 42 A Y E -B 145 0A 2 103,-3.0 103,-2.0 -2,-0.4 60,-0.1 -0.986 15.7-136.7-128.6 137.9 -12.9 -17.0 -13.5 43 43 A R - 0 0 100 -2,-0.4 101,-0.1 101,-0.2 100,-0.1 -0.745 34.3-101.7 -91.7 143.1 -11.9 -18.6 -16.8 44 44 A P - 0 0 60 0, 0.0 100,-0.1 0, 0.0 -1,-0.1 -0.177 23.3-162.2 -62.9 146.0 -12.8 -17.0 -20.2 45 45 A T - 0 0 83 2,-0.2 3,-0.1 98,-0.1 98,-0.0 0.484 47.5-104.3-104.3 -10.2 -15.7 -18.4 -22.0 46 46 A G S S+ 0 0 74 1,-0.4 97,-0.0 97,-0.1 4,-0.0 0.152 75.7 141.5 100.2 -12.3 -14.9 -16.9 -25.5 47 47 A S > - 0 0 46 1,-0.1 3,-0.9 323,-0.1 -1,-0.4 -0.276 54.1-138.6 -55.2 138.5 -17.6 -14.3 -25.0 48 48 A S T 3 S+ 0 0 133 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.0 0.762 101.2 47.8 -78.7 -15.6 -16.5 -10.9 -26.4 49 49 A N T > S+ 0 0 71 3,-0.1 3,-2.2 4,-0.0 -1,-0.2 0.024 76.8 161.9-110.4 30.5 -18.1 -9.0 -23.4 50 50 A F T < S- 0 0 27 -3,-0.9 3,-0.1 1,-0.3 319,-0.0 -0.278 76.7 -9.9 -56.7 122.4 -16.6 -11.3 -20.6 51 51 A F T 3 S- 0 0 2 1,-0.2 -1,-0.3 2,-0.1 5,-0.1 0.782 86.7-163.7 50.5 36.9 -16.8 -9.3 -17.3 52 52 A D <> - 0 0 60 -3,-2.2 4,-2.0 1,-0.2 -1,-0.2 -0.185 15.4-139.6 -45.9 122.5 -17.8 -6.1 -19.1 53 53 A A H > S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.846 98.4 55.0 -66.4 -31.8 -17.2 -3.4 -16.6 54 54 A K H > S+ 0 0 132 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.919 108.6 49.6 -64.8 -39.5 -20.4 -1.4 -17.5 55 55 A V H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.942 113.8 46.3 -62.9 -43.3 -22.5 -4.6 -16.8 56 56 A L H X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.922 114.5 46.2 -66.0 -43.8 -20.7 -5.1 -13.4 57 57 A K H X S+ 0 0 48 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.875 111.9 50.0 -71.3 -37.9 -21.0 -1.5 -12.3 58 58 A D H X S+ 0 0 72 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.948 113.6 46.6 -64.5 -42.4 -24.7 -1.1 -13.3 59 59 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.863 111.3 51.5 -64.1 -38.6 -25.6 -4.3 -11.4 60 60 A L H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.942 108.6 52.1 -65.1 -42.9 -23.5 -3.2 -8.3 61 61 A S H < S+ 0 0 23 -4,-2.5 -47,-2.1 1,-0.2 -46,-0.3 0.904 111.8 46.5 -60.2 -42.3 -25.4 0.2 -8.3 62 62 A R H >< S+ 0 0 102 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.886 109.0 54.3 -68.2 -39.5 -28.7 -1.7 -8.4 63 63 A A H 3X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.3 -1,-0.2 0.788 98.2 64.1 -65.3 -26.3 -27.7 -4.1 -5.6 64 64 A L T 3< S+ 0 0 0 -4,-1.7 -1,-0.3 2,-0.2 7,-0.2 0.455 87.8 73.4 -76.9 -3.5 -26.8 -1.2 -3.3 65 65 A V T X4 S+ 0 0 33 -3,-1.5 3,-1.1 2,-0.1 -1,-0.2 0.972 109.2 27.0 -71.6 -58.8 -30.5 -0.1 -3.3 66 66 A P T 34 S+ 0 0 39 0, 0.0 -2,-0.2 0, 0.0 -3,-0.1 0.816 129.0 46.4 -71.7 -27.2 -31.8 -3.0 -1.1 67 67 A F T >< S+ 0 0 1 -4,-1.6 3,-1.8 1,-0.2 4,-0.3 -0.206 74.5 147.5-102.1 44.1 -28.3 -3.3 0.6 68 68 A Y G X + 0 0 31 -3,-1.1 3,-1.9 1,-0.3 20,-0.3 0.725 59.0 66.1 -58.3 -30.0 -27.9 0.5 1.1 69 69 A P G > S+ 0 0 0 0, 0.0 3,-2.2 0, 0.0 -1,-0.3 0.826 91.5 66.5 -59.3 -27.0 -25.9 0.3 4.4 70 70 A M G < S+ 0 0 0 -3,-1.8 62,-0.4 1,-0.3 63,-0.2 0.761 99.2 50.4 -59.1 -27.6 -23.1 -1.3 2.3 71 71 A A G < S+ 0 0 0 -3,-1.9 19,-2.7 -4,-0.3 18,-0.6 0.268 100.0 93.3 -86.7 3.4 -22.9 2.2 0.5 72 72 A G < - 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