==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-FEB-06 2CF6 . COMPND 2 MOLECULE: CINNAMYL ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR B.YOUN,R.CAMACHO,S.G.MOINUDDIN,C.LEE,L.B.DAVIN,N.G.LEWIS, . 352 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15492.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 10.2 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 . 1 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 . 1 0.3 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 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 1 0 2 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 1 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 PARALLEL BRIDGES PER LADDER . 6 3 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 1 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 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 6 A A 0 0 109 0, 0.0 25,-0.2 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0 109.0 53.4 47.1 122.9 2 7 A E - 0 0 28 23,-0.1 2,-0.2 24,-0.0 23,-0.1 0.179 360.0 -53.0-156.2 -75.2 50.1 47.3 121.2 3 8 A R - 0 0 134 21,-0.1 21,-1.8 19,-0.1 2,-0.4 -0.648 58.9-105.7 174.8 133.2 47.6 44.4 121.6 4 9 A K E +A 23 0A 135 19,-0.2 19,-0.2 -2,-0.2 2,-0.2 -0.553 35.3 176.1 -82.1 118.5 48.4 40.7 120.9 5 10 A T E -A 22 0A 6 17,-2.4 17,-1.6 -2,-0.4 2,-0.2 -0.524 18.5-139.4-105.4-179.6 47.1 38.7 117.9 6 11 A T + 0 0 24 15,-0.3 126,-0.4 -2,-0.2 127,-0.3 -0.688 29.7 150.5-123.1 177.7 47.6 35.1 116.6 7 12 A G - 0 0 0 124,-0.2 13,-0.4 -2,-0.2 124,-0.3 -0.499 44.3 -83.6 155.4 140.0 48.2 33.8 113.0 8 13 A W + 0 0 34 122,-1.3 2,-0.3 11,-0.2 122,-0.1 -0.314 49.2 175.3 -71.1 141.0 49.7 31.2 110.7 9 14 A A B -B 18 0B 0 9,-3.1 9,-3.4 52,-0.2 52,-0.2 -0.990 29.8-124.7-156.3 138.4 53.3 31.6 109.6 10 15 A A B -C 60 0C 0 50,-2.3 50,-1.6 -2,-0.3 7,-0.2 -0.251 18.9-179.6 -74.2 164.7 56.4 30.2 107.8 11 16 A R + 0 0 104 1,-0.5 47,-0.1 5,-0.4 -1,-0.1 0.548 58.9 20.9-141.7 -27.9 59.7 29.7 109.4 12 17 A D S S- 0 0 88 2,-0.4 -1,-0.5 4,-0.2 4,-0.3 -0.936 94.5 -73.9-140.4 161.6 62.3 28.2 107.0 13 18 A P S S+ 0 0 71 0, 0.0 2,-0.8 0, 0.0 -1,-0.0 0.734 118.1 62.9 -6.0 -77.2 62.9 27.9 103.2 14 19 A S S S- 0 0 74 1,-0.1 2,-2.0 37,-0.0 -2,-0.4 -0.624 102.0-126.0 -70.1 107.9 60.3 25.2 102.5 15 20 A G + 0 0 2 -2,-0.8 2,-0.7 31,-0.2 -1,-0.1 -0.400 43.8 164.3 -67.8 72.6 57.4 27.3 103.6 16 21 A I - 0 0 101 -2,-2.0 2,-0.7 -4,-0.3 -5,-0.4 -0.810 31.5-139.9 -93.3 116.6 55.5 25.3 106.2 17 22 A L - 0 0 6 -2,-0.7 -7,-0.3 -7,-0.2 309,-0.2 -0.738 22.8-177.6 -84.6 113.7 53.2 27.6 108.0 18 23 A S B -B 9 0B 39 -9,-3.4 -9,-3.1 -2,-0.7 2,-0.2 -0.310 39.0 -87.7 -82.5 175.2 53.0 27.1 111.8 19 24 A P - 0 0 58 0, 0.0 2,-0.3 0, 0.0 -11,-0.2 -0.640 49.7-174.1 -63.2 152.7 50.7 29.1 114.1 20 25 A Y - 0 0 45 -13,-0.4 2,-0.4 -2,-0.2 332,-0.1 -0.903 15.4-156.8-161.5 128.7 52.3 32.3 115.5 21 26 A T + 0 0 37 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.3 -0.865 21.6 170.8-109.7 136.9 51.3 35.0 118.0 22 27 A Y E -A 5 0A 12 -17,-1.6 -17,-2.4 -2,-0.4 2,-0.6 -0.999 36.0-110.8-154.7 149.4 52.6 38.5 118.0 23 28 A T E -A 4 0A 64 -2,-0.3 -19,-0.2 -19,-0.2 -17,-0.0 -0.644 36.2-151.2 -85.0 119.3 52.3 41.9 119.5 24 29 A L - 0 0 9 -21,-1.8 2,-0.2 -2,-0.6 -1,-0.1 0.234 18.3-104.6 -66.3-170.3 50.9 44.6 117.1 25 30 A R - 0 0 26 -23,-0.1 2,-0.6 -22,-0.0 -1,-0.2 -0.536 46.0 -91.2-103.0-176.5 51.5 48.3 117.0 26 31 A E - 0 0 70 -2,-0.2 2,-1.1 -25,-0.2 5,-0.1 -0.911 26.4-115.8-122.9 129.6 48.9 50.8 118.2 27 32 A T + 0 0 12 -2,-0.6 46,-0.1 2,-0.1 6,-0.1 -0.207 58.2 150.7 -56.4 84.9 46.3 52.5 116.4 28 33 A G - 0 0 28 -2,-1.1 -2,-0.1 46,-0.1 4,-0.1 -0.905 55.6 -26.9-172.7 146.2 47.2 56.0 116.6 29 34 A P S S+ 0 0 66 0, 0.0 47,-2.5 0, 0.0 46,-1.0 -0.886 135.0 7.7-102.8 4.8 47.0 58.6 115.2 30 35 A E S S+ 0 0 72 44,-0.2 108,-2.6 46,-0.2 109,-0.3 -0.042 100.0 112.0-132.8 24.2 46.8 57.6 111.5 31 36 A D E -D 137 0D 13 106,-0.2 43,-1.3 107,-0.1 2,-0.4 -0.735 52.2-150.8-103.4 155.2 46.4 53.9 112.0 32 37 A V E -DE 136 73D 0 104,-2.3 104,-1.9 -2,-0.3 2,-0.6 -0.976 10.2-148.8-122.7 129.1 43.4 51.7 111.2 33 38 A N E -DE 135 72D 6 39,-3.2 38,-1.6 -2,-0.4 39,-1.5 -0.930 22.0-169.8-108.4 121.9 43.0 48.6 113.3 34 39 A I E -DE 134 70D 2 100,-2.6 100,-1.6 -2,-0.6 2,-0.6 -0.865 27.0-143.3-119.3 146.7 41.2 45.9 111.3 35 40 A R E -D 133 0D 87 34,-3.1 2,-0.8 -2,-0.3 98,-0.3 -0.934 34.2-130.3 -99.7 119.0 39.8 42.5 112.1 36 41 A I + 0 0 0 96,-1.3 32,-0.3 -2,-0.6 3,-0.2 -0.629 30.4 176.0 -77.4 108.0 40.6 40.4 109.1 37 42 A I S S- 0 0 35 30,-1.1 308,-0.5 -2,-0.8 2,-0.4 0.954 72.3 -2.6 -77.6 -51.5 37.5 38.6 107.8 38 43 A C B -FG 67 344E 0 29,-2.6 29,-1.9 306,-0.2 -1,-0.3 -0.999 61.6-175.7-141.5 143.6 39.1 37.0 104.8 39 44 A C - 0 0 0 304,-3.0 2,-0.3 -2,-0.4 115,-0.1 0.082 19.8-139.0-101.7-141.4 42.6 37.2 103.3 40 45 A G - 0 0 0 302,-0.2 24,-0.5 114,-0.1 25,-0.5 -0.891 1.5-128.8 176.6 155.7 43.8 35.5 100.0 41 46 A I + 0 0 4 300,-0.9 300,-0.5 -2,-0.3 2,-0.3 -0.827 26.6 148.4-120.8 154.3 46.5 33.6 98.2 42 47 A C > - 0 0 24 -2,-0.3 3,-1.4 298,-0.1 4,-0.4 -0.939 63.6 -76.9-163.9 173.2 48.5 33.9 95.0 43 48 A H T >> S+ 0 0 75 -2,-0.3 4,-2.2 1,-0.3 3,-0.8 0.680 121.4 67.5 -57.5 -17.6 52.0 33.0 93.8 44 49 A T H 3> S+ 0 0 58 1,-0.3 4,-1.9 2,-0.2 5,-0.3 0.912 96.3 57.1 -66.7 -40.9 53.6 36.0 95.6 45 50 A D H <> S+ 0 0 0 -3,-1.4 4,-0.5 1,-0.2 -1,-0.3 0.609 112.2 39.8 -62.0 -22.8 52.7 34.3 98.9 46 51 A L H <> S+ 0 0 3 -3,-0.8 4,-1.1 -4,-0.4 -1,-0.2 0.779 112.3 54.3 -93.4 -39.1 54.6 31.2 98.0 47 52 A H H X S+ 0 0 82 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.750 113.9 40.7 -72.6 -24.1 57.6 32.9 96.4 48 53 A Q H >< S+ 0 0 22 -4,-1.9 3,-1.5 -5,-0.2 8,-0.3 0.947 115.6 53.5 -73.4 -64.1 58.3 35.1 99.4 49 54 A T H 3< S+ 0 0 0 -4,-0.5 -2,-0.2 -5,-0.3 -37,-0.1 0.508 114.8 39.3 -42.8 -20.8 57.5 32.1 101.7 50 55 A K H 3< S- 0 0 49 -4,-1.1 2,-0.3 -36,-0.1 -1,-0.3 0.714 109.3-119.6-103.4 -25.5 60.0 29.8 99.9 51 56 A N << + 0 0 39 -3,-1.5 4,-0.4 -4,-0.7 5,-0.1 -0.783 40.9 174.2 116.6 -70.2 62.8 32.5 99.4 52 57 A D S S+ 0 0 103 -2,-0.3 -1,-0.1 1,-0.3 -5,-0.1 0.705 85.1 39.5 37.6 37.8 62.9 32.3 95.5 53 58 A L S S- 0 0 113 -5,-0.1 -1,-0.3 -3,-0.1 -5,-0.1 0.012 116.4-111.2-171.6 -34.3 65.3 35.2 95.6 54 59 A G S S+ 0 0 57 -41,-0.0 -2,-0.1 0, 0.0 -3,-0.0 0.800 96.1 103.2 80.7 36.3 67.3 34.1 98.6 55 60 A M + 0 0 123 -4,-0.4 -3,-0.1 -7,-0.1 -7,-0.1 0.587 36.0 132.2-122.3 -20.5 65.7 37.0 100.5 56 61 A S - 0 0 13 -8,-0.3 2,-0.7 -9,-0.2 -7,-0.1 -0.042 42.5-150.4 -43.8 125.3 62.8 35.7 102.7 57 62 A N - 0 0 106 2,-0.1 60,-0.2 -6,-0.1 -1,-0.1 -0.844 24.2-126.5-110.7 102.1 62.9 37.0 106.3 58 63 A Y S S+ 0 0 54 -2,-0.7 -47,-0.1 -47,-0.1 2,-0.1 -0.565 89.3 63.0 -81.4 144.1 61.4 34.5 108.8 59 64 A P S S+ 0 0 57 0, 0.0 2,-0.5 0, 0.0 58,-0.2 0.284 83.6 175.9 -71.2 128.0 59.2 34.6 111.0 60 65 A M B -C 10 0C 1 -50,-1.6 -50,-2.3 56,-0.1 -2,-0.1 -0.928 25.9-170.6-119.9 120.2 57.0 35.3 108.0 61 66 A V - 0 0 0 -2,-0.5 67,-1.8 65,-0.3 -52,-0.2 -0.914 21.4-144.5-106.5 108.2 53.2 35.6 107.8 62 67 A P + 0 0 0 0, 0.0 68,-1.6 0, 0.0 67,-0.9 -0.166 44.2 114.1 -64.0 159.4 51.8 35.7 104.2 63 68 A G + 0 0 0 65,-0.3 3,-0.1 66,-0.3 -22,-0.1 0.416 8.2 148.8 140.2 96.3 48.8 37.8 103.3 64 69 A H + 0 0 5 -24,-0.5 2,-0.6 1,-0.1 -23,-0.1 0.400 67.3 73.8-127.5 3.0 48.3 40.9 101.0 65 70 A E S S+ 0 0 1 -25,-0.5 2,-0.3 25,-0.1 -1,-0.1 -0.662 72.0 161.6-111.6 75.0 44.7 40.5 99.7 66 71 A V E + H 0 88E 4 22,-1.4 22,-1.5 -2,-0.6 2,-0.3 -0.716 21.1 171.9-112.0 151.4 42.8 41.4 102.9 67 72 A V E +FH 38 87E 1 -29,-1.9 -29,-2.6 -2,-0.3 -30,-1.1 -0.982 21.7 118.3-151.2 133.4 39.3 42.4 103.8 68 73 A G - 0 0 0 18,-2.7 18,-0.4 -2,-0.3 -32,-0.1 -0.716 56.3 -68.7 165.4 148.3 37.6 42.9 107.1 69 74 A E - 0 0 69 -2,-0.2 -34,-3.1 -35,-0.2 2,-0.5 0.007 45.7-119.8 -48.5 131.3 35.9 45.2 109.5 70 75 A V E -E 34 0D 1 14,-1.6 13,-2.9 -36,-0.2 -36,-0.3 -0.670 26.0-179.3 -86.4 121.7 37.7 48.0 111.3 71 76 A V E + 0 0 73 -38,-1.6 2,-0.3 -2,-0.5 -37,-0.2 0.639 66.3 14.4 -90.7 -21.6 37.8 47.8 115.1 72 77 A E E -E 33 0D 76 -39,-1.5 -39,-3.2 9,-0.1 2,-0.3 -0.990 59.5-165.4-156.8 151.3 39.7 50.9 116.0 73 78 A V E -E 32 0D 34 -2,-0.3 -41,-0.2 1,-0.2 -43,-0.1 -0.918 23.9-103.3-140.0 162.4 41.0 54.1 114.5 74 79 A G - 0 0 20 -43,-1.3 -1,-0.2 -2,-0.3 -44,-0.2 0.636 33.7 -99.2 -63.0-142.9 43.5 56.8 115.3 75 80 A S S S+ 0 0 95 -46,-1.0 -45,-0.1 0, 0.0 -1,-0.1 0.598 123.0 33.0-117.3 -36.9 43.3 60.4 116.6 76 81 A D S S+ 0 0 102 -47,-2.5 2,-0.3 -45,-0.1 -46,-0.2 0.406 92.2 120.3 -99.4 -5.5 43.6 62.1 113.2 77 82 A V + 0 0 19 -48,-0.7 -47,-0.1 1,-0.2 -4,-0.1 -0.514 21.1 144.4 -74.6 130.0 41.8 59.3 111.4 78 83 A S + 0 0 100 -2,-0.3 -1,-0.2 3,-0.1 -48,-0.0 0.666 49.3 72.7-127.9 -51.3 38.7 60.6 109.7 79 84 A K S S+ 0 0 105 2,-0.0 2,-0.3 64,-0.0 -2,-0.1 0.888 103.7 33.5 -42.3 -59.8 38.1 58.9 106.4 80 85 A F - 0 0 2 4,-0.0 2,-0.3 58,-0.0 3,-0.1 -0.681 69.4-162.6-100.8 147.7 37.0 55.5 107.8 81 86 A T > - 0 0 86 -2,-0.3 3,-0.9 1,-0.1 -11,-0.2 -0.791 41.9 -68.2-118.3 177.4 35.0 55.0 111.0 82 87 A V T 3 S+ 0 0 84 -2,-0.3 -11,-0.2 1,-0.2 -1,-0.1 -0.184 113.4 33.1 -66.8 151.1 34.6 51.7 113.0 83 88 A G T 3 S+ 0 0 33 -13,-2.9 2,-0.4 1,-0.3 -1,-0.2 0.568 81.1 136.8 84.1 8.3 32.6 48.8 111.5 84 89 A D < - 0 0 35 -3,-0.9 -14,-1.6 -14,-0.3 2,-0.8 -0.731 60.0-124.9 -89.2 136.1 33.5 49.5 107.8 85 90 A I + 0 0 66 -2,-0.4 59,-1.0 -16,-0.2 2,-0.3 -0.737 47.1 173.9 -77.9 113.9 34.4 46.6 105.6 86 91 A V E - I 0 143E 1 -2,-0.8 -18,-2.7 -18,-0.4 2,-0.3 -0.937 18.7-155.6-125.4 148.7 37.7 47.9 104.5 87 92 A G E -HI 67 142E 0 55,-3.1 55,-3.1 -2,-0.3 2,-0.3 -0.895 3.0-153.7-126.3 156.9 40.4 46.3 102.4 88 93 A V E -HI 66 141E 4 -22,-1.5 -22,-1.4 -2,-0.3 53,-0.2 -0.997 7.0-146.6-144.8 136.5 44.2 46.8 102.1 89 94 A G - 0 0 1 51,-0.6 -23,-0.2 -2,-0.3 69,-0.1 0.518 43.0 -71.1 -76.1-153.5 46.7 46.2 99.4 90 95 A C S S+ 0 0 16 67,-0.4 25,-0.9 206,-0.2 2,-0.4 0.797 108.3 72.1 -79.2 -36.4 50.3 45.2 99.0 91 96 A L B +J 114 0F 3 23,-0.2 -2,-0.2 1,-0.1 23,-0.2 -0.713 46.2 172.5 -93.7 139.6 51.7 48.3 100.3 92 97 A V - 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0 0 5 -2,-1.1 3,-0.7 -3,-0.2 -10,-0.0 -0.944 68.9-137.0-144.3 132.2 58.5 55.3 95.6 110 115 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 0.786 97.0 59.9 -61.0 -30.3 61.8 53.9 96.9 111 116 A K T 3 S+ 0 0 135 2,-0.0 2,-0.3 -3,-0.0 -3,-0.0 -0.048 71.1 136.3-101.9 37.5 60.7 53.9 100.6 112 117 A K < - 0 0 50 -3,-0.7 2,-0.3 -18,-0.2 -18,-0.3 -0.601 41.2-150.1 -84.6 131.7 57.6 51.6 100.5 113 118 A I - 0 0 14 -2,-0.3 -21,-2.0 -20,-0.3 -20,-1.3 -0.792 17.8-138.4 -95.7 144.7 57.0 49.0 103.2 114 119 A W B -J 91 0F 70 -2,-0.3 -23,-0.2 -23,-0.2 4,-0.1 -0.305 25.6-100.3 -95.4-176.1 55.1 45.8 102.1 115 120 A S S S+ 0 0 10 -25,-0.9 2,-0.3 1,-0.2 -24,-0.1 0.888 103.3 0.6 -69.3 -41.0 52.4 43.8 104.0 116 121 A Y S S+ 0 0 4 -26,-0.2 11,-0.2 11,-0.1 -1,-0.2 -0.892 118.0 42.6-141.3 167.7 54.8 41.2 105.1 117 122 A N S S+ 0 0 26 9,-1.0 2,-0.2 -2,-0.3 10,-0.1 0.686 98.1 90.6 62.2 26.1 58.6 40.5 104.8 118 123 A D E S-L 126 0H 51 8,-0.5 8,-0.6 -4,-0.1 2,-0.3 -0.469 76.2-116.9-124.6-161.5 59.4 44.2 105.5 119 124 A V E -L 125 0H 78 6,-0.3 5,-0.1 -2,-0.2 -3,-0.0 -0.954 29.0-134.0-144.9 118.7 60.1 46.4 108.5 120 125 A Y - 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