==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 06-NOV-09 3A9V . COMPND 2 MOLECULE: 4-COUMARATE--COA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: POPULUS TOMENTOSA; . AUTHOR Y.HU . 528 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 33 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 3 2 1 1 0 2 3 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 5 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 0 PARALLEL BRIDGES PER LADDER . 3 6 2 1 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 0 0 0 3 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 5 A E 0 0 99 0, 0.0 3,-0.2 0, 0.0 370,-0.1 0.000 360.0 360.0 360.0 44.2 -20.7 -4.6 -10.0 2 6 A E + 0 0 148 1,-0.3 2,-0.9 371,-0.0 371,-0.1 0.866 360.0 39.3 -98.0 -60.8 -23.4 -3.1 -12.2 3 7 A F S S+ 0 0 79 361,-0.1 2,-0.5 371,-0.0 361,-0.4 -0.831 77.9 175.9 -92.7 106.4 -25.8 -1.6 -9.6 4 8 A I - 0 0 68 -2,-0.9 2,-0.3 -3,-0.2 359,-0.2 -0.959 13.8-152.8-118.2 126.1 -23.6 -0.1 -6.9 5 9 A F B +A 362 0A 14 357,-3.9 357,-2.2 -2,-0.5 2,-0.3 -0.680 15.6 174.0-100.2 150.3 -25.0 1.8 -4.0 6 10 A R - 0 0 89 -2,-0.3 350,-0.2 355,-0.2 352,-0.1 -0.862 35.6 -74.8-142.7 176.0 -23.4 4.5 -1.8 7 11 A S - 0 0 6 353,-0.3 350,-0.1 350,-0.3 4,-0.1 -0.309 28.1-131.1 -72.9 156.9 -24.1 7.0 0.9 8 12 A K S S+ 0 0 67 348,-0.2 -1,-0.1 413,-0.1 349,-0.1 0.557 91.8 84.7 -81.9 -9.5 -26.1 10.2 0.4 9 13 A L S S- 0 0 2 1,-0.1 -2,-0.2 3,-0.0 3,-0.1 -0.704 91.4-109.8 -91.3 145.9 -23.2 11.9 2.2 10 14 A P - 0 0 88 0, 0.0 201,-0.1 0, 0.0 348,-0.1 -0.368 41.4 -92.6 -72.6 153.3 -20.2 12.9 0.2 11 15 A D - 0 0 85 -4,-0.1 2,-0.2 347,-0.1 194,-0.0 -0.318 45.4-150.9 -65.7 150.5 -16.9 11.0 0.6 12 16 A I - 0 0 29 -3,-0.1 2,-0.3 197,-0.1 -1,-0.1 -0.711 22.9 -88.2-120.3 171.0 -14.5 12.4 3.2 13 17 A Y - 0 0 180 -2,-0.2 196,-0.1 191,-0.1 -1,-0.0 -0.625 43.6-176.6 -77.8 133.7 -10.7 12.5 3.8 14 18 A I - 0 0 11 -2,-0.3 187,-0.1 194,-0.0 2,-0.0 -0.989 28.0-117.4-135.3 123.1 -9.5 9.5 5.8 15 19 A P - 0 0 8 0, 0.0 3,-0.1 0, 0.0 189,-0.1 -0.347 27.8-179.7 -61.8 137.0 -5.9 9.1 6.9 16 20 A K S S+ 0 0 121 1,-0.1 181,-0.1 184,-0.1 185,-0.0 0.023 76.1 50.5-126.0 26.9 -4.3 6.0 5.5 17 21 A N S S+ 0 0 122 156,-0.1 -1,-0.1 155,-0.1 180,-0.0 -0.070 89.7 98.3-150.9 32.9 -0.8 6.2 7.0 18 22 A L - 0 0 43 -3,-0.1 2,-0.1 155,-0.0 182,-0.1 -0.969 69.5-120.6-131.4 140.3 -1.8 6.6 10.7 19 23 A P > - 0 0 22 0, 0.0 4,-2.0 0, 0.0 3,-0.2 -0.506 33.0-111.1 -77.1 152.2 -2.0 4.2 13.6 20 24 A L H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.837 114.5 49.1 -49.7 -44.4 -5.4 3.8 15.3 21 25 A H H > S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 109.6 50.9 -67.3 -40.7 -4.4 5.5 18.6 22 26 A S H 4 S+ 0 0 51 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.897 114.4 46.6 -62.1 -38.5 -2.8 8.5 16.9 23 27 A Y H >< S+ 0 0 0 -4,-2.0 3,-1.6 2,-0.2 4,-0.3 0.957 112.4 44.6 -69.3 -54.0 -6.0 8.9 14.9 24 28 A V H 3< S+ 0 0 1 -4,-2.7 221,-0.3 1,-0.3 3,-0.2 0.839 124.4 37.1 -63.4 -29.7 -8.7 8.6 17.7 25 29 A L T >< S+ 0 0 14 -4,-2.0 3,-1.3 -5,-0.3 -1,-0.3 0.061 83.8 114.9-107.4 23.6 -6.6 10.8 20.0 26 30 A E T < S+ 0 0 98 -3,-1.6 3,-0.3 1,-0.3 -1,-0.2 0.871 80.3 40.1 -61.4 -40.5 -5.4 13.2 17.2 27 31 A N T > S+ 0 0 64 -4,-0.3 3,-1.4 216,-0.2 4,-0.5 -0.047 75.8 129.0-102.1 33.7 -7.3 16.3 18.5 28 32 A L G X + 0 0 29 -3,-1.3 3,-2.1 1,-0.3 4,-0.2 0.881 61.4 66.1 -51.7 -47.3 -6.6 15.6 22.2 29 33 A S G 3 S+ 0 0 101 -3,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.707 91.1 63.2 -52.6 -26.1 -5.2 19.1 22.9 30 34 A N G < S+ 0 0 127 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.766 126.5 11.8 -72.1 -23.4 -8.6 20.7 22.3 31 35 A H S X S+ 0 0 35 -3,-2.1 3,-1.5 -4,-0.5 17,-0.5 -0.035 80.1 139.8-144.5 34.9 -10.1 18.8 25.2 32 36 A S T 3 S+ 0 0 47 -3,-0.3 17,-3.6 1,-0.3 18,-0.4 0.798 80.7 40.4 -52.6 -36.6 -7.1 17.3 27.1 33 37 A S T 3 S+ 0 0 101 15,-0.2 -1,-0.3 -4,-0.2 3,-0.1 0.481 93.0 110.2 -93.5 -2.4 -8.5 18.1 30.6 34 38 A K S < S- 0 0 58 -3,-1.5 14,-2.1 1,-0.1 15,-0.2 -0.395 83.9 -92.6 -72.1 145.0 -12.1 17.1 29.6 35 39 A P E +G 47 0B 53 0, 0.0 12,-0.3 0, 0.0 -1,-0.1 -0.356 49.1 168.3 -59.1 136.9 -13.5 13.9 31.1 36 40 A C E + 0 0 0 10,-2.3 212,-2.4 1,-0.3 2,-0.5 0.736 62.1 25.5-115.0 -61.2 -12.9 10.9 28.8 37 41 A L E -Gh 46 248B 0 9,-2.2 9,-1.8 210,-0.2 2,-0.5 -0.937 64.3-179.7-114.6 119.9 -13.7 7.7 30.6 38 42 A I E -Gh 45 249B 13 210,-2.4 212,-3.1 -2,-0.5 2,-0.9 -0.968 20.7-145.1-119.4 129.1 -16.2 7.7 33.5 39 43 A N E >> - h 0 250B 9 5,-2.7 4,-2.7 -2,-0.5 3,-1.0 -0.817 8.9-164.0 -94.0 105.2 -17.1 4.5 35.4 40 44 A G T 34 S+ 0 0 15 210,-2.8 211,-0.2 -2,-0.9 -1,-0.2 0.726 84.0 57.9 -60.0 -23.5 -20.7 4.9 36.3 41 45 A A T 34 S+ 0 0 77 209,-0.4 -1,-0.2 1,-0.1 210,-0.1 0.725 128.0 7.6 -81.5 -24.7 -20.6 2.1 38.9 42 46 A N T <4 S- 0 0 93 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.1 0.364 97.0-112.8-138.4 3.1 -17.8 3.6 41.1 43 47 A G < + 0 0 34 -4,-2.7 -3,-0.1 1,-0.2 -2,-0.0 0.526 54.5 160.9 77.6 4.8 -17.2 7.1 39.8 44 48 A D - 0 0 58 -5,-0.3 -5,-2.7 -6,-0.1 2,-0.4 -0.285 19.6-165.7 -57.1 147.3 -13.7 6.5 38.5 45 49 A V E -G 38 0B 76 -7,-0.2 2,-0.4 -10,-0.0 -7,-0.2 -1.000 18.5-174.1-142.5 139.3 -12.7 9.2 36.0 46 50 A Y E -G 37 0B 62 -9,-1.8 -10,-2.3 -2,-0.4 -9,-2.2 -0.992 19.1-143.9-132.5 120.9 -9.9 9.6 33.4 47 51 A T E > -G 35 0B 35 -2,-0.4 4,-2.0 -12,-0.3 5,-0.2 -0.248 32.5-102.0 -76.0 172.1 -9.5 12.8 31.5 48 52 A Y H > S+ 0 0 0 -14,-2.1 4,-2.2 -17,-0.5 5,-0.2 0.932 126.2 51.4 -62.5 -42.5 -8.4 12.8 27.9 49 53 A A H > S+ 0 0 40 -17,-3.6 4,-2.2 1,-0.2 5,-0.3 0.916 108.1 54.3 -59.1 -41.1 -4.9 13.7 28.9 50 54 A D H > S+ 0 0 69 -18,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.878 108.7 47.0 -60.2 -41.3 -5.0 10.8 31.4 51 55 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.900 111.0 50.4 -70.5 -39.2 -5.9 8.3 28.8 52 56 A E H X S+ 0 0 40 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.929 116.0 41.6 -64.7 -45.4 -3.3 9.4 26.3 53 57 A L H X S+ 0 0 46 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.935 115.8 48.4 -68.2 -47.5 -0.4 9.3 28.8 54 58 A T H X S+ 0 0 16 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.817 105.3 59.8 -63.6 -31.8 -1.5 6.0 30.4 55 59 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.961 106.7 47.0 -61.0 -48.0 -1.9 4.4 27.0 56 60 A R H X S+ 0 0 84 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.871 111.4 51.2 -61.4 -37.1 1.8 5.1 26.4 57 61 A R H X S+ 0 0 59 -4,-1.8 4,-3.2 1,-0.2 -1,-0.2 0.908 106.0 54.7 -66.5 -41.4 2.7 3.7 29.8 58 62 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.874 107.5 51.6 -59.5 -35.8 0.7 0.6 29.2 59 63 A A H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.930 111.2 46.2 -66.7 -44.5 2.8 0.2 26.0 60 64 A S H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.912 114.6 49.0 -62.5 -41.9 6.0 0.6 28.0 61 65 A G H X S+ 0 0 0 -4,-3.2 4,-1.8 97,-0.5 -2,-0.2 0.911 108.2 52.1 -64.3 -45.0 4.7 -1.9 30.6 62 66 A L H <>S+ 0 0 1 -4,-2.7 5,-3.1 1,-0.2 4,-0.3 0.934 111.4 47.4 -57.5 -47.8 3.6 -4.5 28.0 63 67 A N H ><5S+ 0 0 55 -4,-2.2 3,-2.5 3,-0.2 -1,-0.2 0.957 107.5 57.8 -58.2 -49.0 7.1 -4.4 26.5 64 68 A K H 3<5S+ 0 0 169 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.826 108.7 44.2 -51.5 -39.0 8.7 -4.7 30.0 65 69 A I T 3<5S- 0 0 27 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.371 130.6 -92.2 -90.0 6.1 6.9 -7.9 30.7 66 70 A G T < 5S+ 0 0 34 -3,-2.5 2,-0.6 -4,-0.3 -3,-0.2 0.523 73.5 144.5 103.6 3.3 7.6 -9.3 27.3 67 71 A I < - 0 0 3 -5,-3.1 -1,-0.3 -6,-0.2 2,-0.2 -0.688 30.9-166.3 -81.6 122.5 4.7 -8.4 25.0 68 72 A Q > - 0 0 92 -2,-0.6 3,-2.5 1,-0.1 25,-0.1 -0.608 34.0 -75.7-104.7 164.7 6.1 -7.7 21.5 69 73 A Q T 3 S+ 0 0 84 1,-0.3 26,-0.3 -2,-0.2 25,-0.1 -0.323 122.8 26.8 -56.1 136.3 4.7 -6.1 18.4 70 74 A G T 3 S+ 0 0 44 24,-2.4 -1,-0.3 1,-0.3 25,-0.1 0.150 91.5 130.3 94.5 -21.5 2.3 -8.6 16.8 71 75 A D < - 0 0 39 -3,-2.5 25,-3.0 1,-0.1 2,-0.5 -0.366 56.4-125.6 -69.0 146.3 1.6 -10.4 20.1 72 76 A V E -mn 96 118C 14 45,-0.6 47,-3.0 23,-0.2 48,-0.9 -0.799 20.0-165.3 -96.8 131.2 -2.0 -11.1 21.1 73 77 A I E -mn 97 120C 1 23,-3.2 25,-2.6 -2,-0.5 2,-0.5 -0.941 12.6-144.4-111.9 132.9 -3.3 -10.0 24.4 74 78 A M E -mn 98 121C 0 46,-3.6 48,-2.9 -2,-0.4 2,-0.5 -0.879 5.7-154.2-105.8 129.2 -6.6 -11.4 25.7 75 79 A L E +mn 99 122C 0 23,-3.0 25,-2.1 -2,-0.5 48,-0.2 -0.853 16.4 175.9-101.4 131.2 -9.1 -9.4 27.6 76 80 A F E + n 0 123C 0 46,-3.3 48,-0.6 -2,-0.5 25,-0.1 -0.569 46.6 115.8-128.3 61.0 -11.5 -11.2 30.0 77 81 A L - 0 0 1 23,-0.3 152,-0.2 46,-0.2 2,-0.1 -0.897 63.9-113.7-135.0 160.4 -13.1 -8.1 31.4 78 82 A P - 0 0 22 0, 0.0 5,-0.2 0, 0.0 175,-0.1 -0.409 62.4 -67.5 -85.1 167.1 -16.5 -6.2 31.6 79 83 A S S S+ 0 0 5 173,-0.4 3,-0.1 172,-0.2 145,-0.0 -0.339 83.8 129.3 -55.7 133.2 -16.9 -2.8 29.9 80 84 A S S > S- 0 0 6 1,-0.1 4,-1.5 -3,-0.1 5,-0.1 -0.988 73.0 -93.3-175.0 170.2 -14.7 -0.4 31.8 81 85 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.932 121.8 56.5 -62.9 -44.2 -11.9 2.3 31.7 82 86 A E H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.871 102.3 55.9 -54.8 -40.5 -9.3 -0.5 32.3 83 87 A F H > S+ 0 0 2 -5,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.931 110.9 43.1 -58.4 -48.2 -10.5 -2.2 29.1 84 88 A V H X S+ 0 0 2 -4,-1.5 4,-3.0 2,-0.2 5,-0.4 0.868 113.0 52.3 -66.6 -38.0 -10.0 0.9 27.0 85 89 A L H X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.888 110.9 47.7 -66.7 -38.0 -6.7 1.6 28.6 86 90 A A H X S+ 0 0 3 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.895 114.6 47.9 -67.7 -40.5 -5.5 -1.9 27.9 87 91 A F H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.983 115.7 40.2 -64.1 -59.8 -6.8 -1.6 24.3 88 92 A L H X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.850 115.0 56.7 -58.0 -34.0 -5.2 1.8 23.5 89 93 A G H X S+ 0 0 0 -4,-1.8 4,-1.2 -5,-0.4 -1,-0.2 0.943 107.6 45.7 -63.4 -46.6 -2.2 0.5 25.4 90 94 A A H X>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-1.2 0.898 109.6 55.9 -63.6 -39.5 -1.9 -2.5 23.1 91 95 A S H <5S+ 0 0 0 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.901 105.7 50.8 -59.8 -41.3 -2.4 -0.3 20.1 92 96 A H H <5S+ 0 0 32 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.777 110.8 50.5 -65.5 -28.0 0.6 1.9 21.1 93 97 A R H <5S- 0 0 12 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.658 114.4-115.4 -83.5 -19.6 2.7 -1.2 21.5 94 98 A G T <5S+ 0 0 5 -4,-1.2 -24,-2.4 -3,-0.5 -3,-0.2 0.636 74.2 132.8 89.2 15.5 1.8 -2.6 18.1 95 99 A A < - 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