==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-APR-13 4KEC . COMPND 2 MOLECULE: HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL . SOURCE 2 ORGANISM_SCIENTIFIC: SORGHUM BICOLOR; . AUTHOR A.M.WALKER,R.P.HAYES,B.YOUN,W.VERMERRIS,S.E.SATTLER,C.KANG . 434 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18402.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 14.7 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 . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 19.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 1 0 0 1 1 2 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 2 1 0 2 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 . 2 1 0 1 0 1 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 60 0, 0.0 2,-0.4 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 120.4 -0.6 -73.0 7.7 2 2 A K + 0 0 127 105,-0.0 107,-0.4 2,-0.0 2,-0.4 -0.496 360.0 167.4 -77.8 123.3 -4.3 -72.9 6.7 3 3 A I - 0 0 29 -2,-0.4 2,-0.4 104,-0.1 104,-0.2 -0.997 14.5-162.5-135.4 128.2 -5.3 -70.2 4.2 4 4 A T E -A 106 0A 57 102,-2.1 102,-2.6 -2,-0.4 2,-1.0 -0.907 22.8-125.0-113.2 140.2 -8.6 -69.9 2.4 5 5 A V E -A 105 0A 86 -2,-0.4 100,-0.3 100,-0.2 3,-0.2 -0.718 19.4-169.1 -78.9 100.8 -9.5 -67.9 -0.7 6 6 A R E - 0 0 117 -2,-1.0 2,-0.2 98,-0.6 99,-0.2 0.896 65.5 -49.4 -54.6 -41.7 -12.4 -65.8 0.4 7 7 A G E -A 104 0A 28 97,-1.6 97,-2.5 -3,-0.1 2,-0.4 -0.793 48.9-143.6 167.7 150.8 -12.9 -64.8 -3.3 8 8 A S E +A 103 0A 76 95,-0.2 2,-0.4 -2,-0.2 95,-0.2 -0.991 15.5 174.2-134.9 134.0 -11.1 -63.6 -6.5 9 9 A E E -A 102 0A 100 93,-1.9 93,-1.2 -2,-0.4 2,-0.2 -0.982 34.7-118.0-141.1 129.4 -12.2 -61.3 -9.3 10 10 A M E -A 101 0A 62 -2,-0.4 2,-0.3 91,-0.2 91,-0.2 -0.446 36.0-146.0 -52.6 122.5 -10.4 -59.9 -12.3 11 11 A V E -A 100 0A 7 89,-3.7 89,-1.8 -2,-0.2 56,-0.0 -0.759 11.9-155.0 -99.1 148.0 -10.5 -56.1 -11.9 12 12 A Y - 0 0 127 -2,-0.3 61,-0.2 87,-0.2 62,-0.1 -0.841 29.7 -82.0-126.2 154.8 -10.8 -53.8 -14.9 13 13 A P - 0 0 19 0, 0.0 2,-0.6 0, 0.0 58,-0.2 -0.289 35.9-128.4 -60.0 140.4 -9.9 -50.1 -15.6 14 14 A A S S+ 0 0 55 56,-3.4 2,-0.3 55,-0.2 57,-0.1 -0.067 83.8 10.0 -85.4 35.9 -12.4 -47.5 -14.3 15 15 A A S S- 0 0 55 -2,-0.6 2,-0.4 55,-0.1 0, 0.0 -0.961 103.5 -47.0-177.9-169.1 -12.6 -45.7 -17.6 16 16 A E - 0 0 152 -2,-0.3 -2,-0.1 0, 0.0 81,-0.0 -0.674 52.1-175.0 -82.8 135.0 -11.7 -45.9 -21.3 17 17 A T - 0 0 8 -2,-0.4 57,-0.0 -4,-0.1 56,-0.0 -0.989 33.1 -95.8-131.9 139.9 -8.1 -46.8 -22.0 18 18 A P - 0 0 64 0, 0.0 2,-0.6 0, 0.0 79,-0.2 -0.189 24.1-143.2 -53.1 140.0 -6.3 -46.9 -25.4 19 19 A R + 0 0 135 77,-0.1 2,-0.1 78,-0.0 77,-0.1 -0.483 54.1 135.4-102.7 60.6 -6.1 -50.4 -26.9 20 20 A R - 0 0 87 -2,-0.6 75,-1.9 74,-0.0 2,-0.4 -0.363 60.0-108.0 -98.3 174.0 -2.6 -50.0 -28.3 21 21 A R E -G 94 0B 112 73,-0.2 2,-0.6 -2,-0.1 73,-0.2 -0.899 31.8-142.6 -98.5 137.7 0.6 -52.0 -28.4 22 22 A L E -G 93 0B 0 71,-3.2 71,-2.0 -2,-0.4 2,-0.3 -0.908 11.1-131.5-104.8 123.5 3.3 -50.8 -26.2 23 23 A W - 0 0 42 -2,-0.6 2,-0.5 69,-0.2 171,-0.3 -0.570 20.0-144.1 -69.6 129.3 6.9 -50.9 -27.4 24 24 A N - 0 0 0 -2,-0.3 140,-0.1 67,-0.3 278,-0.0 -0.873 12.0-133.0 -98.2 126.9 9.2 -52.5 -24.8 25 25 A S > - 0 0 0 -2,-0.5 4,-1.0 138,-0.1 173,-0.1 -0.099 31.4 -96.8 -63.1 168.9 12.8 -51.1 -24.5 26 26 A G T 4 S+ 0 0 7 171,-0.5 3,-0.5 1,-0.2 4,-0.2 0.888 124.6 49.3 -55.9 -46.5 15.9 -53.4 -24.3 27 27 A P T >> S+ 0 0 0 0, 0.0 3,-1.4 0, 0.0 4,-1.3 0.875 105.1 57.7 -61.8 -41.6 16.0 -53.2 -20.5 28 28 A D T 34 S+ 0 0 0 275,-0.3 -2,-0.2 1,-0.3 137,-0.1 0.794 109.3 49.6 -55.1 -27.5 12.3 -54.1 -20.2 29 29 A L T 3< S+ 0 0 9 -4,-1.0 -1,-0.3 -3,-0.5 327,-0.1 0.391 107.9 47.2-101.6 2.6 13.2 -57.2 -22.1 30 30 A V T <4 S+ 0 0 0 -3,-1.4 328,-2.5 -4,-0.2 -2,-0.2 0.563 82.6 101.8-120.2 -15.0 16.2 -58.6 -20.3 31 31 A V S < S- 0 0 7 -4,-1.3 132,-0.1 326,-0.2 325,-0.0 -0.226 94.9 -64.4 -56.2 158.8 15.0 -58.4 -16.7 32 32 A P - 0 0 22 0, 0.0 130,-0.3 0, 0.0 -1,-0.2 -0.073 51.1-121.0 -60.1 154.2 13.9 -61.8 -15.3 33 33 A R S S+ 0 0 107 325,-0.4 130,-0.3 -3,-0.1 129,-0.1 0.792 79.2 50.3 -76.2 -30.7 10.9 -63.4 -17.0 34 34 A F S S- 0 0 76 1,-0.2 128,-2.2 127,-0.1 2,-0.4 0.368 96.3 -50.6 -91.8-140.4 8.2 -63.9 -14.4 35 35 A H E -B 161 0A 24 126,-0.2 126,-0.3 127,-0.1 -1,-0.2 -0.776 45.2-119.3-100.9 141.3 6.5 -61.8 -11.8 36 36 A T E -B 160 0A 35 124,-4.1 124,-1.9 -2,-0.4 2,-0.6 -0.711 30.8-142.4 -73.3 111.4 8.3 -59.7 -9.2 37 37 A P E +B 159 0A 23 0, 0.0 357,-1.0 0, 0.0 358,-0.4 -0.683 30.2 166.3 -79.1 119.0 7.1 -61.1 -5.8 38 38 A S E -BC 158 393A 11 120,-2.6 120,-2.7 -2,-0.6 2,-0.3 -0.930 13.7-166.5-129.7 150.7 6.6 -58.4 -3.2 39 39 A V E -BC 157 392A 0 353,-1.7 353,-1.3 -2,-0.3 2,-0.3 -0.967 3.4-163.1-146.3 127.8 4.7 -58.7 0.1 40 40 A Y E -BC 156 391A 1 116,-3.0 116,-1.0 -2,-0.3 2,-0.4 -0.796 4.3-159.6-105.8 153.9 3.5 -56.1 2.6 41 41 A F E -BC 155 390A 0 349,-2.0 348,-2.9 -2,-0.3 349,-1.1 -0.999 7.9-176.7-130.8 133.9 2.5 -56.6 6.2 42 42 A F E -B 154 0A 2 112,-2.9 112,-2.1 -2,-0.4 2,-0.3 -0.959 15.9-141.3-124.3 146.7 0.3 -54.3 8.3 43 43 A R - 0 0 63 -2,-0.4 110,-0.1 2,-0.2 109,-0.1 -0.837 19.7-126.4-104.5 149.4 -0.6 -54.6 12.0 44 44 A R S S+ 0 0 63 -2,-0.3 8,-3.0 107,-0.3 9,-0.5 0.728 90.4 9.3 -61.1 -20.4 -4.0 -53.9 13.4 45 45 A R B S+I 51 0C 116 6,-0.2 -2,-0.2 7,-0.2 6,-0.2 -0.594 82.2 27.1-141.5-167.1 -2.4 -51.5 15.9 46 46 A D + 0 0 68 4,-0.5 2,-0.1 -2,-0.2 -3,-0.0 -0.214 25.1 166.1 91.9-179.0 0.8 -49.7 17.1 47 47 A A S S+ 0 0 89 -2,-0.1 -1,-0.1 2,-0.1 -2,-0.0 -0.913 128.6 11.2 -74.2 -27.6 3.3 -48.4 17.2 48 48 A D S S- 0 0 150 -2,-0.1 -3,-0.0 1,-0.0 0, 0.0 0.826 123.8 -88.1 -72.1 -33.4 2.3 -47.2 20.7 49 49 A G S S+ 0 0 31 1,-0.2 3,-0.1 0, 0.0 -2,-0.1 0.139 76.1 153.6 140.9 -12.2 -0.7 -49.6 20.6 50 50 A N - 0 0 106 -5,-0.2 -4,-0.5 1,-0.1 2,-0.3 -0.092 51.6-109.1 -46.5 136.0 -3.2 -47.3 18.9 51 51 A D B -I 45 0C 87 -6,-0.2 -6,-0.2 1,-0.1 -1,-0.1 -0.540 24.5-163.0 -69.4 130.3 -6.0 -49.1 17.0 52 52 A L + 0 0 54 -8,-3.0 -7,-0.2 -2,-0.3 -1,-0.1 0.567 50.3 119.8 -93.2 -12.7 -5.4 -48.5 13.2 53 53 A T S S- 0 0 26 -9,-0.5 6,-0.2 1,-0.1 5,-0.1 -0.227 70.3-109.3 -49.7 139.0 -9.0 -49.5 12.3 54 54 A A > - 0 0 30 4,-3.1 3,-1.2 1,-0.1 -1,-0.1 -0.065 24.7-103.2 -68.0 173.4 -10.7 -46.6 10.5 55 55 A A T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.968 124.5 55.0 -57.4 -53.0 -13.5 -44.5 12.0 56 56 A D T 3 S- 0 0 114 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.426 123.0-109.1 -63.2 1.8 -16.0 -46.4 9.8 57 57 A G S < S+ 0 0 51 -3,-1.2 2,-0.2 1,-0.3 -1,-0.1 0.537 73.3 140.9 81.6 5.8 -14.7 -49.6 11.4 58 58 A S - 0 0 16 -5,-0.1 -4,-3.1 3,-0.0 -1,-0.3 -0.499 29.4-179.8 -81.9 150.3 -12.9 -50.7 8.1 59 59 A F S S- 0 0 12 -6,-0.2 -6,-0.1 -2,-0.2 -15,-0.0 -0.723 78.4 -23.8-148.1 95.9 -9.5 -52.3 7.9 60 60 A F S S- 0 0 1 -2,-0.2 2,-0.6 1,-0.2 3,-0.1 0.992 79.2-155.4 61.4 65.3 -8.4 -53.1 4.4 61 61 A D > - 0 0 63 1,-0.2 4,-2.0 2,-0.0 5,-0.2 -0.619 8.0-147.9 -76.5 115.2 -11.9 -53.2 2.9 62 62 A G H > S+ 0 0 1 -2,-0.6 4,-2.7 1,-0.2 3,-0.4 0.914 95.5 49.0 -45.7 -57.2 -11.9 -55.3 -0.3 63 63 A A H > S+ 0 0 49 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.884 111.2 49.4 -56.3 -44.6 -14.6 -53.4 -2.1 64 64 A R H > S+ 0 0 52 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.846 113.8 47.6 -62.2 -34.2 -12.9 -50.0 -1.4 65 65 A M H X S+ 0 0 0 -4,-2.0 4,-2.8 -3,-0.4 -2,-0.2 0.853 107.7 52.7 -77.5 -38.2 -9.6 -51.4 -2.7 66 66 A R H X S+ 0 0 53 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.820 109.5 53.9 -65.1 -27.5 -11.0 -53.0 -5.8 67 67 A R H X S+ 0 0 144 -4,-1.4 4,-1.8 -5,-0.3 -2,-0.2 0.943 110.9 41.5 -73.0 -51.0 -12.5 -49.5 -6.5 68 68 A A H X S+ 0 0 2 -4,-1.7 4,-3.1 2,-0.2 5,-0.4 0.943 112.4 58.1 -59.1 -48.3 -9.2 -47.6 -6.2 69 69 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.943 106.2 47.4 -42.8 -60.7 -7.5 -50.4 -8.1 70 70 A A H < S+ 0 0 16 -4,-2.3 -56,-3.4 1,-0.2 -1,-0.2 0.858 113.7 48.7 -53.3 -41.0 -9.9 -49.9 -11.1 71 71 A E H >< S+ 0 0 82 -4,-1.8 3,-1.8 -58,-0.2 -1,-0.2 0.950 111.5 46.9 -64.3 -51.4 -9.3 -46.1 -11.0 72 72 A A H 3X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.3 -1,-0.2 0.758 99.0 71.8 -65.4 -23.3 -5.5 -46.4 -10.8 73 73 A L T 3< S+ 0 0 0 -4,-2.0 -1,-0.3 -5,-0.4 7,-0.2 0.432 89.5 67.3 -70.3 5.4 -5.7 -48.9 -13.7 74 74 A V T X4 S+ 0 0 39 -3,-1.8 3,-1.1 -5,-0.1 -2,-0.2 0.940 109.1 25.9 -93.4 -64.0 -6.6 -45.9 -15.8 75 75 A P T 34 S+ 0 0 33 0, 0.0 2,-0.8 0, 0.0 -2,-0.2 0.973 130.2 46.3 -55.6 -51.7 -3.5 -43.8 -16.0 76 76 A F T >< S+ 0 0 0 -4,-1.7 3,-2.5 1,-0.2 4,-0.3 -0.068 80.4 145.7 -82.3 37.0 -1.4 -47.0 -15.3 77 77 A Y G X + 0 0 28 -3,-1.1 3,-1.8 -2,-0.8 4,-0.4 0.692 55.5 65.4 -56.7 -30.6 -3.6 -48.7 -17.9 78 78 A P G > S+ 0 0 1 0, 0.0 3,-0.8 0, 0.0 -1,-0.3 0.683 84.3 76.6 -68.3 -12.1 -0.9 -51.0 -19.4 79 79 A M G < S+ 0 0 0 -3,-2.5 62,-0.4 1,-0.2 63,-0.3 0.776 95.9 51.0 -60.9 -22.8 -0.8 -52.8 -16.0 80 80 A A G < S+ 0 0 0 -3,-1.8 18,-0.4 -4,-0.3 -1,-0.2 0.641 96.7 93.4 -88.0 -18.1 -4.1 -54.3 -17.3 81 81 A G < - 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