==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-FEB-05 1YQD . 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) . 27838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 496 69.1 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 . 102 14.2 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 . 49 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 17.8 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 7 2 6 1 1 2 0 2 2 2 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 4 4 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 96 0, 0.0 4,-1.4 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 157.7 45.9 119.4 55.4 2 5 A P H 3> + 0 0 30 0, 0.0 4,-0.5 0, 0.0 26,-0.2 0.868 360.0 53.8 -58.2 -37.1 48.1 121.4 53.0 3 6 A E H 34 S+ 0 0 67 23,-0.3 24,-0.2 1,-0.2 26,-0.1 0.780 116.3 37.5 -68.7 -27.7 48.8 124.0 55.7 4 7 A E H <4 S+ 0 0 135 -3,-0.7 -1,-0.2 1,-0.1 23,-0.0 0.528 91.2 89.3-102.2 -8.5 50.1 121.4 58.1 5 8 A E H < S+ 0 0 78 -4,-1.4 -2,-0.1 -3,-0.2 -1,-0.1 0.873 97.4 22.0 -57.3 -41.7 51.9 119.1 55.8 6 9 A H S < S- 0 0 26 -4,-0.5 24,-0.2 2,-0.1 23,-0.1 -0.838 78.4-116.2-126.4 164.0 55.2 120.9 56.0 7 10 A P S S+ 0 0 98 0, 0.0 2,-0.6 0, 0.0 23,-0.2 0.737 92.9 71.1 -72.2 -26.6 56.9 123.3 58.4 8 11 A V E S-A 29 0A 48 21,-1.8 21,-2.7 1,-0.0 -2,-0.1 -0.841 81.8-130.7 -99.9 117.6 57.2 126.4 56.2 9 12 A K E -A 28 0A 136 -2,-0.6 2,-0.3 19,-0.2 19,-0.3 -0.322 28.0-173.5 -65.0 142.7 53.9 128.2 55.5 10 13 A A E -A 27 0A 6 17,-2.7 17,-2.6 127,-0.1 2,-0.3 -0.945 11.2-159.9-136.7 156.4 53.2 129.0 51.9 11 14 A F E +A 26 0A 5 -2,-0.3 126,-2.6 15,-0.2 2,-0.3 -0.997 27.6 125.6-138.8 141.8 50.5 131.0 50.0 12 15 A G E -AB 25 136A 0 13,-2.0 13,-2.7 -2,-0.3 2,-0.4 -0.874 54.9 -76.6-166.6-163.4 49.4 130.9 46.4 13 16 A W E +A 24 0A 19 122,-2.1 2,-0.3 -2,-0.3 122,-0.2 -0.965 47.4 174.0-119.0 135.7 46.4 130.5 44.1 14 17 A A E -A 23 0A 0 9,-2.5 9,-1.6 -2,-0.4 2,-0.3 -0.929 30.2-123.2-139.6 162.5 44.9 127.1 43.4 15 18 A A E -AC 22 65A 0 50,-2.3 50,-2.5 -2,-0.3 7,-0.2 -0.814 13.9-166.7-101.9 145.1 42.1 125.4 41.6 16 19 A R + 0 0 108 5,-0.6 2,-0.3 -2,-0.3 47,-0.1 0.607 69.6 5.0-106.8 -17.9 39.8 123.1 43.7 17 20 A D S > S- 0 0 82 4,-0.2 3,-2.2 37,-0.1 -1,-0.2 -0.922 92.1 -78.3-153.9 177.1 37.9 121.3 40.9 18 21 A Q T 3 S+ 0 0 127 1,-0.3 36,-0.0 -2,-0.3 39,-0.0 0.428 109.4 84.8 -67.8 4.1 37.8 121.0 37.1 19 22 A S T 3 S- 0 0 63 2,-0.1 -1,-0.3 1,-0.1 36,-0.1 0.782 93.9-140.7 -70.6 -23.2 36.0 124.3 36.7 20 23 A G < + 0 0 3 -3,-2.2 2,-0.2 34,-0.5 35,-0.1 0.556 40.9 161.6 77.1 8.6 39.5 125.5 36.9 21 24 A H - 0 0 113 -4,-0.1 -5,-0.6 33,-0.1 2,-0.3 -0.450 27.9-146.7 -65.7 125.9 38.6 128.5 39.0 22 25 A L E +A 15 0A 1 -2,-0.2 -7,-0.2 -7,-0.2 309,-0.2 -0.761 28.7 151.7 -98.4 141.3 41.6 129.9 40.8 23 26 A S E -A 14 0A 33 -9,-1.6 -9,-2.5 -2,-0.3 -11,-0.1 -0.978 51.2 -57.0-159.4 162.8 41.6 131.5 44.2 24 27 A P E -A 13 0A 35 0, 0.0 2,-0.3 0, 0.0 -11,-0.2 -0.086 54.3-174.8 -45.7 139.7 43.7 132.1 47.3 25 28 A F E -A 12 0A 11 -13,-2.7 -13,-2.0 -3,-0.0 2,-0.4 -0.978 16.8-147.2-147.8 126.6 45.1 128.9 48.8 26 29 A N E +A 11 0A 85 -2,-0.3 -23,-0.3 -15,-0.2 -15,-0.2 -0.800 37.3 132.4 -97.1 133.0 47.1 128.3 52.0 27 30 A F E -A 10 0A 1 -17,-2.6 -17,-2.7 -2,-0.4 2,-0.3 -0.662 38.2-120.3-149.9-153.8 49.7 125.5 52.1 28 31 A S E -A 9 0A 1 -19,-0.3 2,-0.3 -2,-0.2 -19,-0.2 -0.980 7.9-142.0-158.3 164.3 53.3 124.8 53.1 29 32 A R E -A 8 0A 18 -21,-2.7 -21,-1.8 -2,-0.3 3,-0.1 -0.955 33.9 -91.4-133.4 154.0 56.7 123.6 51.8 30 33 A R - 0 0 45 -2,-0.3 -24,-0.1 -24,-0.2 3,-0.1 -0.104 48.7 -95.8 -59.5 157.3 59.4 121.4 53.2 31 34 A A - 0 0 55 1,-0.1 2,-0.6 7,-0.0 -1,-0.1 -0.335 55.5 -81.6 -69.6 159.1 62.3 122.9 55.2 32 35 A T - 0 0 29 -3,-0.1 -1,-0.1 4,-0.1 46,-0.1 -0.515 51.3-152.9 -68.2 112.5 65.5 123.6 53.3 33 36 A G > - 0 0 29 -2,-0.6 3,-1.7 46,-0.1 48,-0.1 -0.239 33.9 -91.0 -78.4 173.3 67.5 120.4 52.9 34 37 A E T 3 S+ 0 0 91 1,-0.3 47,-2.3 45,-0.2 48,-0.4 0.773 129.2 33.6 -57.1 -29.7 71.2 120.2 52.6 35 38 A E T 3 S+ 0 0 76 46,-0.2 108,-2.9 45,-0.1 -1,-0.3 0.214 99.5 112.4-110.7 14.7 71.0 120.3 48.8 36 39 A D E < -D 142 0B 12 -3,-1.7 43,-2.4 106,-0.2 2,-0.5 -0.587 50.7-155.3 -91.9 150.2 67.9 122.5 48.6 37 40 A V E -DE 141 78B 0 104,-2.5 104,-2.1 -2,-0.2 2,-0.4 -0.992 10.7-160.9-123.3 123.9 67.7 126.1 47.2 38 41 A R E +DE 140 77B 13 39,-3.2 38,-2.6 -2,-0.5 39,-1.6 -0.870 15.7 174.0-106.8 139.2 64.9 128.3 48.6 39 42 A F E -DE 139 75B 0 100,-2.8 100,-2.6 -2,-0.4 2,-0.4 -0.999 34.9-116.0-149.7 150.1 63.7 131.4 46.7 40 43 A K E -DE 138 74B 97 34,-2.7 34,-1.8 -2,-0.3 2,-0.5 -0.673 39.4-122.4 -79.8 129.8 61.1 134.1 46.7 41 44 A V E + E 0 73B 0 96,-2.0 32,-0.3 -2,-0.4 3,-0.1 -0.640 37.6 167.4 -78.3 123.9 59.0 133.9 43.6 42 45 A L E + 0 0 32 30,-2.6 309,-2.0 -2,-0.5 308,-0.5 0.805 66.5 6.6-100.9 -42.5 59.1 137.2 41.6 43 46 A Y E - E 0 72B 47 29,-2.2 29,-2.8 306,-0.2 -1,-0.4 -0.975 54.5-171.7-141.6 153.3 57.5 136.1 38.3 44 47 A C E -FE 348 71B 0 304,-1.3 304,-3.0 -2,-0.3 27,-0.2 -0.928 21.0-136.0-147.5 120.2 55.8 133.0 36.9 45 48 A G E -F 347 0B 0 25,-2.4 2,-0.7 -2,-0.3 25,-0.4 -0.368 19.5-124.5 -72.1 156.5 54.8 132.5 33.3 46 49 A V E -F 346 0B 1 300,-2.7 300,-0.5 22,-0.1 2,-0.3 -0.917 28.3-167.0-106.6 111.6 51.4 131.1 32.5 47 50 A C >> - 0 0 4 -2,-0.7 3,-1.8 1,-0.1 4,-1.1 -0.714 32.4-122.8 -97.5 147.9 51.7 128.0 30.3 48 51 A H H 3> S+ 0 0 44 -2,-0.3 4,-2.9 1,-0.3 5,-0.2 0.808 113.8 68.5 -59.5 -24.0 48.7 126.5 28.5 49 52 A S H 3> S+ 0 0 29 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.868 93.7 56.2 -60.0 -34.5 49.6 123.4 30.4 50 53 A D H <> S+ 0 0 0 -3,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.910 109.3 46.0 -62.1 -42.0 48.5 125.3 33.5 51 54 A L H X S+ 0 0 8 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.928 111.9 49.9 -66.6 -46.5 45.1 125.7 31.8 52 55 A H H X>S+ 0 0 7 -4,-2.9 5,-2.6 1,-0.2 4,-0.6 0.931 113.3 49.1 -56.7 -46.0 44.9 122.1 30.7 53 56 A S H ><5S+ 0 0 8 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.918 108.8 47.3 -63.2 -48.7 45.7 121.0 34.3 54 57 A I H 3<5S+ 0 0 0 -4,-2.4 -34,-0.5 1,-0.3 -1,-0.2 0.823 117.2 45.5 -65.7 -27.6 43.3 123.1 36.2 55 58 A K H 3<5S- 0 0 87 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.514 108.1-129.0 -89.1 -7.9 40.5 122.1 33.8 56 59 A N T <<5 + 0 0 38 -3,-0.9 3,-0.3 -4,-0.6 -3,-0.2 0.859 49.9 158.6 60.2 39.4 41.7 118.4 34.0 57 60 A D S - 0 0 9 -43,-2.4 3,-1.7 -2,-0.3 -45,-0.2 -0.302 36.3-105.8 -69.6 159.7 71.5 124.2 52.1 80 83 A S T 3 S+ 0 0 103 1,-0.3 -45,-0.1 -2,-0.0 -46,-0.1 0.632 119.4 46.8 -61.6 -16.2 74.9 123.6 53.5 81 84 A K T 3 S+ 0 0 122 -47,-2.3 -1,-0.3 -48,-0.1 2,-0.2 0.334 80.1 120.4-109.6 6.2 75.9 121.4 50.6 82 85 A V < + 0 0 22 -3,-1.7 -46,-0.1 -48,-0.4 -47,-0.1 -0.486 34.1 176.5 -69.5 140.9 74.7 123.6 47.8 83 86 A K + 0 0 194 -2,-0.2 -1,-0.1 -48,-0.1 -48,-0.0 0.742 65.0 44.6-118.5 -35.2 77.5 124.6 45.4 84 87 A K S S+ 0 0 73 2,-0.0 2,-0.4 1,-0.0 -2,-0.0 0.482 103.8 62.2 -95.4 -1.8 76.4 126.7 42.4 85 88 A V - 0 0 3 4,-0.0 2,-0.3 63,-0.0 58,-0.0 -0.962 54.0-170.5-131.7 146.0 74.0 129.1 44.1 86 89 A N > - 0 0 107 -2,-0.4 3,-2.0 -49,-0.0 -11,-0.2 -0.878 42.9 -82.8-125.7 158.0 74.3 131.9 46.8 87 90 A V T 3 S+ 0 0 95 -2,-0.3 -11,-0.2 1,-0.3 3,-0.1 -0.351 117.5 29.8 -58.7 136.9 71.7 133.9 48.6 88 91 A G T 3 S+ 0 0 24 -13,-2.4 -1,-0.3 1,-0.3 -12,-0.1 0.158 88.5 131.3 97.9 -18.9 70.5 136.8 46.5 89 92 A D < - 0 0 53 -3,-2.0 -14,-2.8 -15,-0.1 2,-0.5 -0.335 61.1-118.2 -68.6 149.4 71.1 135.0 43.1 90 93 A K E +G 74 0B 76 59,-0.3 59,-2.1 -16,-0.2 2,-0.3 -0.792 46.2 164.0 -91.2 125.6 68.4 135.1 40.5 91 94 A V E -GH 73 148B 1 -18,-2.4 -18,-2.8 -2,-0.5 2,-0.3 -0.827 21.5-153.4-135.9 173.9 67.2 131.6 39.7 92 95 A G E -GH 72 147B 0 55,-1.8 55,-2.9 -2,-0.3 2,-0.4 -0.969 5.7-150.4-148.2 161.5 64.4 129.7 38.0 93 96 A V E -G 71 0B 0 -22,-2.1 -22,-2.1 -2,-0.3 53,-0.1 -0.999 15.7-171.5-135.1 135.1 62.6 126.4 38.1 94 97 A G - 0 0 8 51,-0.4 69,-0.2 2,-0.4 -24,-0.1 0.206 54.7 -48.5 -99.5-137.6 60.9 124.7 35.1 95 98 A C S S+ 0 0 9 67,-0.6 25,-2.5 24,-0.1 2,-0.3 0.602 113.9 67.6 -77.9 -14.0 58.6 121.7 34.8 96 99 A L E +J 119 0C 5 23,-0.3 -2,-0.4 24,-0.1 23,-0.2 -0.863 36.1 163.3-115.0 146.1 60.8 119.4 36.8 97 100 A V E S- 0 0 7 21,-2.4 45,-0.5 -2,-0.3 2,-0.3 0.316 71.9 -3.9-131.9 -1.2 61.8 119.2 40.5 98 101 A G E +J 118 0C 0 20,-1.0 20,-2.9 46,-0.1 -1,-0.3 -0.991 45.8 178.6-178.7 171.3 63.1 115.6 40.6 99 102 A A - 0 0 1 -2,-0.3 18,-0.2 18,-0.3 12,-0.1 -0.918 51.7 -83.8-168.9-179.0 63.8 112.2 39.1 100 103 A C - 0 0 29 -2,-0.3 17,-0.0 11,-0.1 11,-0.0 0.809 40.5-154.6 -74.2 -30.3 65.4 108.9 40.2 101 104 A H S S+ 0 0 79 1,-0.1 -1,-0.1 10,-0.0 10,-0.0 0.690 76.7 80.2 63.8 18.9 69.0 109.9 39.6 102 105 A S S S+ 0 0 102 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.141 71.9 82.1-141.7 22.4 69.9 106.2 39.1 103 106 A C S > S- 0 0 33 1,-0.1 4,-2.3 0, 0.0 5,-0.2 -0.798 86.1-104.2-123.9 168.6 68.9 105.3 35.6 104 107 A E H > S+ 0 0 170 -2,-0.3 4,-1.5 1,-0.2 6,-0.2 0.858 118.7 55.2 -60.0 -36.6 70.4 105.7 32.1 105 108 A S H 4>S+ 0 0 16 2,-0.2 5,-2.7 1,-0.2 3,-0.3 0.948 110.7 43.3 -63.3 -48.7 68.1 108.5 31.2 106 109 A C H >45S+ 0 0 1 1,-0.2 3,-1.7 3,-0.2 5,-0.2 0.896 111.8 55.1 -63.4 -39.6 69.1 110.6 34.3 107 110 A A H 3<5S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.811 106.1 52.5 -63.7 -29.3 72.7 109.7 33.8 108 111 A N T 3<5S- 0 0 112 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.078 124.5-102.9 -95.2 23.8 72.5 111.1 30.3 109 112 A D T < 5S+ 0 0 63 -3,-1.7 196,-0.4 1,-0.1 -3,-0.2 0.817 89.3 121.0 60.8 33.8 71.0 114.4 31.5 110 113 A L > < + 0 0 20 -5,-2.7 3,-1.7 192,-0.2 4,-0.2 -0.506 16.5 149.7-123.7 60.7 67.5 113.4 30.5 111 114 A E G > S+ 0 0 1 1,-0.3 3,-1.2 -5,-0.2 -5,-0.1 0.778 70.2 68.2 -62.3 -25.1 65.7 113.6 33.8 112 115 A N G 3 S+ 0 0 9 1,-0.3 -1,-0.3 -3,-0.2 539,-0.1 0.700 102.0 43.6 -68.5 -20.7 62.6 114.6 31.7 113 116 A Y G < S+ 0 0 18 -3,-1.7 -1,-0.3 -8,-0.1 -2,-0.2 0.248 84.4 122.4-108.5 12.1 62.5 111.1 30.2 114 117 A C X - 0 0 4 -3,-1.2 3,-1.8 -4,-0.2 -3,-0.0 -0.534 67.1-133.1 -72.0 135.7 63.1 109.3 33.5 115 118 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.769 108.6 44.6 -62.8 -20.7 60.2 106.9 34.3 116 119 A K T 3 S+ 0 0 139 -5,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.020 82.0 148.3-110.4 25.6 60.2 108.3 37.8 117 120 A M < - 0 0 54 -3,-1.8 2,-0.5 -18,-0.2 -18,-0.3 -0.263 39.5-139.9 -59.8 148.3 60.5 112.0 36.9 118 121 A I E -J 98 0C 10 -20,-2.9 -21,-2.4 5,-0.1 -20,-1.0 -0.949 10.5-138.8-119.6 115.6 58.7 114.4 39.2 119 122 A L E -J 96 0C 70 -2,-0.5 4,-0.3 -23,-0.2 -23,-0.3 -0.372 21.9-117.2 -71.9 148.7 56.7 117.4 37.8 120 123 A T S S+ 0 0 2 -25,-2.5 2,-0.3 1,-0.1 -24,-0.1 0.771 98.6 20.3 -55.6 -30.5 56.9 120.8 39.5 121 124 A Y S S+ 0 0 11 -26,-0.3 11,-0.2 1,-0.1 -1,-0.1 -0.994 119.5 22.2-143.7 151.8 53.2 120.5 40.2 122 125 A A S S+ 0 0 25 9,-2.2 2,-0.2 -2,-0.3 10,-0.1 0.744 98.8 96.9 69.4 27.5 50.5 117.8 40.5 123 126 A S S S- 0 0 29 -4,-0.3 8,-2.2 8,-0.2 2,-0.5 -0.696 78.1-100.6-130.7-176.6 53.0 115.1 41.2 124 127 A I B -K 130 0D 77 6,-0.2 6,-0.2 -2,-0.2 -5,-0.0 -0.957 33.6-144.3-115.2 122.7 54.4 113.3 44.2 125 128 A Y > - 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