==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-FEB-05 1YQX . COMPND 2 MOLECULE: SINAPYL ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: POPULUS TREMULOIDES; . AUTHOR E.K.BOMATI,J.P.NOEL . 718 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27929.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 499 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 60 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 3.1 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 6 2 5 1 1 2 0 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 8 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 PARALLEL BRIDGES PER LADDER . 6 5 3 2 2 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 . 3 0 2 0 0 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 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 4 A S > 0 0 89 0, 0.0 4,-0.9 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 167.3 45.3 119.8 55.1 2 5 A P T 4 + 0 0 24 0, 0.0 4,-0.5 0, 0.0 26,-0.2 0.711 360.0 63.0 -76.2 -19.9 47.9 121.5 52.8 3 6 A E T 4 S+ 0 0 64 1,-0.2 24,-0.1 24,-0.2 3,-0.1 0.795 111.7 37.6 -73.4 -26.7 48.6 124.2 55.3 4 7 A E T 4 S+ 0 0 166 -3,-0.4 -1,-0.2 1,-0.1 23,-0.1 0.601 93.4 89.1 -98.0 -14.1 49.8 121.6 57.8 5 8 A E S < S+ 0 0 89 -4,-0.9 -2,-0.1 23,-0.1 -1,-0.1 0.819 95.6 22.6 -54.4 -40.6 51.6 119.4 55.3 6 9 A H S S- 0 0 30 -4,-0.5 24,-0.2 2,-0.1 23,-0.1 -0.834 78.3-116.9-126.2 165.5 55.0 121.1 55.4 7 10 A P S S+ 0 0 92 0, 0.0 2,-0.4 0, 0.0 23,-0.1 0.953 92.8 67.4 -66.2 -54.5 56.8 123.4 58.0 8 11 A V E S-A 29 0A 51 21,-1.0 21,-2.0 1,-0.1 -2,-0.1 -0.576 85.3-125.4 -76.3 126.7 57.1 126.6 56.0 9 12 A K E -A 28 0A 138 -2,-0.4 2,-0.3 19,-0.2 19,-0.3 -0.364 30.0-170.1 -70.5 148.8 53.8 128.4 55.2 10 13 A A E -A 27 0A 7 17,-3.1 17,-2.4 -2,-0.1 2,-0.3 -0.962 11.1-160.0-142.4 157.4 53.0 129.3 51.6 11 14 A F E +A 26 0A 6 -2,-0.3 126,-2.5 15,-0.2 2,-0.3 -1.000 27.5 117.5-142.9 140.5 50.4 131.3 49.6 12 15 A G E -AB 25 136A 0 13,-2.0 13,-3.2 -2,-0.3 2,-0.4 -0.927 56.3 -72.3-172.6-167.4 49.2 131.3 46.0 13 16 A W E +A 24 0A 18 122,-1.7 2,-0.3 -2,-0.3 122,-0.1 -0.929 46.3 176.4-113.6 132.9 46.2 130.8 43.7 14 17 A A E -A 23 0A 0 9,-2.2 9,-1.3 -2,-0.4 2,-0.3 -0.918 29.1-125.7-135.0 161.2 44.7 127.4 42.9 15 18 A A E -AC 22 65A 0 50,-2.8 50,-2.7 -2,-0.3 7,-0.2 -0.790 14.4-165.7 -99.8 145.6 41.9 125.7 41.1 16 19 A R + 0 0 98 5,-0.6 2,-0.3 -2,-0.3 47,-0.1 0.588 68.6 3.9-108.1 -16.5 39.7 123.4 43.1 17 20 A D S > S- 0 0 82 4,-0.2 3,-2.1 37,-0.1 -1,-0.2 -0.926 93.6 -74.8-155.1 178.1 37.8 121.6 40.3 18 21 A Q T 3 S+ 0 0 127 1,-0.3 36,-0.0 -2,-0.3 43,-0.0 0.348 109.4 85.5 -68.2 10.9 37.7 121.3 36.5 19 22 A S T 3 S- 0 0 67 2,-0.1 -1,-0.3 1,-0.0 36,-0.2 0.628 93.5-138.8 -80.2 -13.7 35.9 124.7 36.2 20 23 A G < + 0 0 4 -3,-2.1 2,-0.4 34,-0.8 35,-0.1 0.526 43.4 160.1 69.4 6.6 39.5 126.0 36.3 21 24 A H - 0 0 99 -4,-0.2 -5,-0.6 33,-0.1 2,-0.3 -0.473 26.7-151.5 -67.4 119.8 38.5 128.8 38.6 22 25 A L E +A 15 0A 0 -2,-0.4 -7,-0.2 -7,-0.2 309,-0.2 -0.695 25.3 153.6 -95.4 143.5 41.6 130.2 40.4 23 26 A S E -A 14 0A 34 -9,-1.3 -9,-2.2 -2,-0.3 -11,-0.1 -0.977 52.0 -58.1-161.8 156.8 41.4 131.9 43.9 24 27 A P E -A 13 0A 43 0, 0.0 2,-0.4 0, 0.0 -11,-0.3 -0.008 55.2-170.1 -41.7 139.7 43.7 132.5 46.9 25 28 A F E -A 12 0A 13 -13,-3.2 -13,-2.0 -3,-0.0 2,-0.5 -0.985 16.9-145.3-144.5 127.9 45.0 129.3 48.4 26 29 A N E +A 11 0A 79 -2,-0.4 -15,-0.2 -15,-0.2 2,-0.2 -0.805 41.4 129.7 -94.5 124.1 46.9 128.6 51.7 27 30 A F E -A 10 0A 1 -17,-2.4 -17,-3.1 -2,-0.5 2,-0.3 -0.689 38.7-127.7-148.0-157.6 49.4 125.8 51.6 28 31 A S E -A 9 0A 3 -19,-0.3 2,-0.3 -26,-0.2 -19,-0.2 -0.986 5.3-139.7-160.4 161.9 53.1 125.1 52.5 29 32 A R E -A 8 0A 20 -21,-2.0 -21,-1.0 -2,-0.3 3,-0.1 -0.927 35.7 -88.3-128.9 153.7 56.4 123.8 51.2 30 33 A R - 0 0 45 -2,-0.3 -1,-0.1 -24,-0.2 -24,-0.1 -0.055 51.8 -90.4 -55.7 158.9 59.1 121.6 52.7 31 34 A A - 0 0 56 1,-0.1 2,-0.7 5,-0.0 -1,-0.1 -0.355 51.8 -91.2 -69.5 150.4 62.0 123.1 54.7 32 35 A T - 0 0 33 -3,-0.1 -1,-0.1 -2,-0.1 46,-0.1 -0.534 50.0-157.7 -71.4 110.9 65.1 124.0 52.8 33 36 A G > - 0 0 29 -2,-0.7 3,-0.9 46,-0.1 46,-0.4 -0.192 35.0 -84.1 -83.9 175.5 67.5 121.1 52.7 34 37 A E T 3 S+ 0 0 130 1,-0.3 47,-1.9 45,-0.2 48,-0.4 0.762 129.2 27.9 -48.5 -34.5 71.2 120.8 52.2 35 38 A E T 3 S+ 0 0 97 46,-0.1 108,-2.7 45,-0.1 -1,-0.3 0.455 101.4 101.0-110.1 -3.4 70.9 120.8 48.4 36 39 A D E < -D 142 0B 15 -3,-0.9 43,-1.8 106,-0.3 2,-0.4 -0.236 56.8-148.4 -77.0 169.1 67.7 122.9 48.0 37 40 A V E -DE 141 78B 0 104,-1.2 104,-1.9 41,-0.2 2,-0.4 -0.986 6.8-153.2-142.0 129.3 67.5 126.5 47.1 38 41 A R E +DE 140 77B 13 39,-3.4 38,-3.3 -2,-0.4 39,-1.0 -0.884 19.8 170.9-108.1 134.5 64.8 128.8 48.3 39 42 A F E -DE 139 75B 0 100,-2.3 100,-2.3 -2,-0.4 2,-0.4 -0.998 35.8-113.4-147.5 149.3 63.7 131.9 46.4 40 43 A K E -DE 138 74B 95 34,-2.8 34,-1.9 -2,-0.3 2,-0.6 -0.650 39.4-120.1 -77.9 126.1 61.0 134.6 46.4 41 44 A V E + E 0 73B 1 96,-2.8 32,-0.3 -2,-0.4 3,-0.1 -0.557 40.4 166.2 -72.1 116.4 58.8 134.3 43.3 42 45 A L E + 0 0 31 30,-2.3 309,-2.1 -2,-0.6 308,-0.6 0.887 64.7 4.2 -91.7 -53.6 59.1 137.6 41.3 43 46 A Y E -FE 349 72B 46 29,-2.3 29,-2.9 306,-0.2 -1,-0.3 -0.867 53.0-175.3-131.8 162.6 57.5 136.5 38.0 44 47 A C E -FE 348 71B 0 304,-1.0 304,-2.3 -2,-0.3 27,-0.2 -0.745 21.6-136.0-162.0 110.4 55.8 133.4 36.4 45 48 A G E -F 347 0B 0 25,-1.9 2,-0.7 302,-0.3 24,-0.4 -0.258 21.5-121.2 -66.3 152.4 54.7 133.1 32.8 46 49 A V - 0 0 1 300,-2.7 300,-0.5 22,-0.1 2,-0.3 -0.878 30.6-167.5-101.1 113.5 51.3 131.7 32.0 47 50 A C >> - 0 0 4 -2,-0.7 3,-1.7 298,-0.1 4,-0.9 -0.696 32.9-120.3 -98.2 150.8 51.7 128.6 29.8 48 51 A H H 3> S+ 0 0 45 -2,-0.3 4,-2.5 1,-0.3 5,-0.1 0.722 112.5 68.5 -63.1 -18.0 48.8 127.0 28.0 49 52 A S H 3> S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.798 92.6 57.3 -69.1 -29.2 49.6 123.8 30.0 50 53 A D H <> S+ 0 0 0 -3,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.878 109.5 46.9 -66.7 -36.4 48.4 125.7 33.1 51 54 A L H X S+ 0 0 8 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.967 110.8 48.6 -68.9 -54.3 45.1 126.1 31.3 52 55 A H H <>S+ 0 0 9 -4,-2.5 5,-2.8 1,-0.2 4,-0.4 0.908 113.4 50.9 -51.2 -46.6 44.8 122.5 30.1 53 56 A S H ><5S+ 0 0 10 -4,-2.2 3,-1.2 3,-0.2 -1,-0.2 0.928 109.2 45.3 -59.9 -53.6 45.6 121.3 33.7 54 57 A I H 3<5S+ 0 0 0 -4,-2.0 -34,-0.8 1,-0.3 -1,-0.2 0.825 115.7 48.0 -64.4 -30.2 43.1 123.4 35.7 55 58 A K T 3<5S- 0 0 76 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.474 110.8-126.0 -85.4 -4.1 40.3 122.5 33.2 56 59 A N T X 5 + 0 0 36 -3,-1.2 3,-1.3 -4,-0.4 -3,-0.2 0.814 50.0 162.0 63.2 34.0 41.4 118.8 33.4 57 60 A D T 3 - 0 0 12 -43,-1.8 3,-1.7 -46,-0.4 -45,-0.2 -0.153 39.9 -99.8 -66.5 164.9 71.4 124.7 52.0 80 83 A S T 3 S+ 0 0 100 1,-0.3 -45,-0.1 3,-0.0 -46,-0.1 0.727 119.8 48.8 -57.8 -28.6 74.9 124.0 53.2 81 84 A K T 3 S+ 0 0 137 -47,-1.9 -1,-0.3 -45,-0.1 -46,-0.1 0.338 78.7 122.8 -98.6 9.9 75.9 122.0 50.1 82 85 A V < + 0 0 22 -3,-1.7 -46,-0.1 -48,-0.4 -47,-0.1 -0.450 30.4 170.2 -69.3 143.6 74.6 124.5 47.5 83 86 A K + 0 0 186 -48,-0.1 -1,-0.1 -2,-0.1 -48,-0.0 0.716 60.3 45.9-127.6 -34.0 77.4 125.6 45.1 84 87 A K S S+ 0 0 71 1,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.458 106.1 50.9 -97.7 -1.3 76.3 127.6 42.0 85 88 A V - 0 0 4 4,-0.0 2,-0.3 63,-0.0 -1,-0.1 -0.995 57.5-167.7-139.3 145.6 73.9 130.1 43.6 86 89 A N > - 0 0 107 -2,-0.3 3,-1.7 1,-0.1 -11,-0.2 -0.778 43.7 -74.9-122.0 168.4 74.0 132.6 46.5 87 90 A V T 3 S+ 0 0 92 -2,-0.3 -11,-0.2 1,-0.2 3,-0.1 -0.347 119.3 30.6 -60.9 141.6 71.4 134.6 48.3 88 91 A G T 3 S+ 0 0 33 -13,-3.0 -1,-0.2 1,-0.3 2,-0.1 0.294 89.0 132.2 91.2 -10.4 70.3 137.6 46.1 89 92 A D < - 0 0 42 -3,-1.7 -14,-2.7 -15,-0.1 2,-0.7 -0.462 60.8-119.5 -76.8 146.9 70.9 135.8 42.9 90 93 A K E +G 74 0B 66 59,-0.2 59,-2.2 -16,-0.2 2,-0.3 -0.784 48.3 157.7 -89.5 118.6 68.3 135.8 40.1 91 94 A V E -GH 73 148B 1 -18,-2.0 -18,-2.8 -2,-0.7 2,-0.3 -0.873 23.3-153.4-136.9 168.3 67.2 132.3 39.3 92 95 A G E -GH 72 147B 0 55,-2.1 55,-2.9 -2,-0.3 2,-0.4 -0.989 7.0-145.4-147.3 154.7 64.3 130.4 37.8 93 96 A V E -G 71 0B 0 -22,-1.4 -22,-1.8 -2,-0.3 53,-0.1 -0.945 17.7-168.8-120.1 143.0 62.5 127.0 37.9 94 97 A G - 0 0 7 2,-0.5 -23,-0.2 51,-0.5 69,-0.1 0.271 51.2 -55.6-101.7-135.4 60.9 125.3 34.9 95 98 A C S S+ 0 0 20 67,-0.4 25,-2.3 24,-0.1 2,-0.4 0.562 113.7 68.4 -89.3 -10.7 58.6 122.3 34.4 96 99 A L E +J 119 0C 4 23,-0.2 -2,-0.5 24,-0.1 23,-0.2 -0.884 40.0 160.6-114.5 144.2 60.9 119.9 36.2 97 100 A V E - 0 0 8 21,-2.1 45,-0.5 1,-0.4 2,-0.3 0.322 68.4 -6.2-137.9 -0.1 61.8 119.7 39.9 98 101 A G E -J 118 0C 0 20,-0.8 20,-3.8 43,-0.1 -1,-0.4 -0.939 49.5-178.3 175.1 163.0 63.1 116.2 40.3 99 102 A A - 0 0 1 18,-0.3 18,-0.2 -2,-0.3 12,-0.1 -0.901 50.1 -85.8-159.3-176.7 63.7 112.7 38.9 100 103 A C - 0 0 34 -2,-0.3 -1,-0.0 11,-0.1 17,-0.0 0.849 48.3-151.9 -72.6 -31.8 65.1 109.3 39.9 101 104 A H S S+ 0 0 70 1,-0.1 3,-0.0 10,-0.1 10,-0.0 0.950 74.6 68.6 61.1 52.9 68.7 110.4 39.0 102 105 A S + 0 0 96 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.353 69.0 90.4-167.3 -23.7 69.9 106.9 38.2 103 106 A C S > S- 0 0 38 1,-0.1 4,-1.4 4,-0.0 5,-0.1 -0.086 91.8 -98.0 -73.0-175.4 68.4 105.6 34.9 104 107 A E H > S+ 0 0 152 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.677 119.9 64.5 -81.6 -14.6 70.2 106.3 31.7 105 108 A S H 4>S+ 0 0 17 2,-0.2 5,-2.8 1,-0.1 -1,-0.2 0.937 105.9 42.8 -70.3 -46.6 67.9 109.3 30.9 106 109 A C H >45S+ 0 0 2 3,-0.2 3,-2.3 1,-0.2 5,-0.3 0.932 111.6 52.6 -64.4 -49.2 69.2 111.2 34.0 107 110 A A H 3<5S+ 0 0 78 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.843 109.6 51.2 -56.1 -35.0 72.9 110.3 33.4 108 111 A N T 3<5S- 0 0 93 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.295 125.3-105.8 -85.9 8.9 72.5 111.6 29.8 109 112 A D T < 5S+ 0 0 48 -3,-2.3 196,-0.4 1,-0.1 -3,-0.2 0.861 85.7 121.3 69.3 41.0 71.0 114.9 31.2 110 113 A L > < + 0 0 29 -5,-2.8 3,-3.5 192,-0.1 -4,-0.2 -0.360 16.4 154.2-128.6 53.2 67.4 114.2 30.3 111 114 A E G > S+ 0 0 2 1,-0.3 3,-1.3 -5,-0.3 -5,-0.1 0.771 73.0 69.1 -50.9 -23.9 65.6 114.3 33.6 112 115 A N G 3 S+ 0 0 9 1,-0.3 -1,-0.3 -7,-0.1 5,-0.1 0.655 100.2 44.9 -71.5 -15.1 62.6 115.2 31.4 113 116 A Y G < S+ 0 0 13 -3,-3.5 -1,-0.3 -8,-0.1 -2,-0.2 0.155 83.6 121.4-114.2 18.2 62.5 111.7 29.9 114 117 A C X - 0 0 5 -3,-1.3 3,-1.9 -4,-0.2 -3,-0.0 -0.621 66.7-133.1 -79.8 136.6 62.9 109.9 33.2 115 118 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.730 110.2 41.9 -64.0 -16.1 60.0 107.5 34.0 116 119 A K T 3 S+ 0 0 142 -5,-0.1 -5,-0.0 2,-0.1 -3,-0.0 0.072 82.3 146.0-115.0 20.5 60.0 109.0 37.5 117 120 A M < - 0 0 57 -3,-1.9 2,-0.6 -18,-0.2 -18,-0.3 -0.322 43.0-136.9 -58.8 139.8 60.5 112.6 36.5 118 121 A I E -J 98 0C 8 -20,-3.8 -21,-2.1 5,-0.1 -20,-0.8 -0.911 11.5-137.3-107.5 122.5 58.6 114.9 38.8 119 122 A L E -J 96 0C 60 -2,-0.6 4,-0.3 -23,-0.2 -23,-0.2 -0.407 20.7-117.9 -74.9 150.8 56.7 117.8 37.4 120 123 A T S S+ 0 0 2 -25,-2.3 2,-0.3 -2,-0.1 -24,-0.1 0.829 95.7 19.1 -58.2 -33.2 56.8 121.3 39.0 121 124 A Y S S+ 0 0 13 -26,-0.3 11,-0.2 1,-0.1 3,-0.1 -0.965 120.0 20.3-140.8 157.6 53.1 121.2 39.6 122 125 A A S S+ 0 0 23 9,-2.0 2,-0.2 -2,-0.3 -1,-0.1 0.813 100.3 103.4 57.9 35.4 50.2 118.7 39.9 123 126 A S S S- 0 0 21 8,-0.3 8,-2.4 -4,-0.3 2,-0.6 -0.742 77.4 -99.6-133.3 178.8 52.7 115.8 40.4 124 127 A I B -K 130 0D 74 -2,-0.2 6,-0.2 6,-0.2 5,-0.1 -0.933 35.7-147.9-110.5 119.3 54.0 113.7 43.3 125 128 A Y > - 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