==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-MAY-13 4L0Q . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE CLASS-3; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR A.WEICHSEL,J.CROTTY,W.R.MONTFORT . 756 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29455.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 547 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 13.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 3.2 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 5 3 0 5 3 2 2 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 7 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 0 PARALLEL BRIDGES PER LADDER . 5 4 6 1 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 . 1 2 0 2 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 2 A A 0 0 144 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.1 70.1 44.0 77.6 2 3 A T > + 0 0 57 2,-0.1 3,-3.3 73,-0.1 74,-0.1 0.739 360.0 131.3 -91.5 -24.9 67.8 43.9 74.7 3 4 A Q T 3 S+ 0 0 153 1,-0.3 3,-0.1 72,-0.2 73,-0.1 0.083 87.4 3.7 -29.2 123.4 64.5 42.6 76.0 4 5 A G T 3 S+ 0 0 49 1,-0.2 2,-0.3 25,-0.0 -1,-0.3 0.483 110.9 113.5 75.2 1.3 61.7 44.8 74.9 5 6 A Q S < S- 0 0 118 -3,-3.3 -1,-0.2 24,-0.1 23,-0.1 -0.829 74.0-109.8-108.8 144.3 64.0 47.0 72.8 6 7 A V - 0 0 86 -2,-0.3 2,-0.4 -3,-0.1 23,-0.2 -0.367 39.5-146.2 -59.9 146.3 64.4 47.5 69.0 7 8 A I E -A 28 0A 12 21,-1.8 21,-3.2 2,-0.0 2,-0.6 -0.979 8.3-150.7-127.9 137.9 67.6 45.8 67.8 8 9 A T E +A 27 0A 83 -2,-0.4 2,-0.2 19,-0.2 19,-0.2 -0.927 36.3 141.5-113.6 114.7 69.9 47.0 65.1 9 10 A C E -A 26 0A 5 17,-1.8 17,-3.5 -2,-0.6 2,-0.3 -0.773 50.7 -86.1-141.9 175.4 71.7 44.2 63.4 10 11 A K E +A 25 0A 85 15,-0.3 140,-2.2 -2,-0.2 141,-0.3 -0.672 43.7 167.5 -89.8 149.9 72.8 43.1 59.9 11 12 A A E -AB 24 149A 0 13,-1.9 13,-1.9 -2,-0.3 2,-0.7 -0.947 39.2-113.1-155.8 151.2 70.6 41.2 57.5 12 13 A A E -A 23 0A 0 136,-2.7 54,-0.4 -2,-0.3 2,-0.3 -0.899 38.2-164.1 -92.2 116.7 70.8 40.4 53.9 13 14 A V E -A 22 0A 0 9,-2.6 9,-2.1 -2,-0.7 2,-0.6 -0.818 14.0-151.0-104.6 141.4 67.9 42.3 52.2 14 15 A A B +E 64 0B 1 50,-2.4 50,-2.0 -2,-0.3 7,-0.1 -0.962 20.8 169.1-114.9 111.3 66.6 41.5 48.7 15 16 A Y + 0 0 83 -2,-0.6 -1,-0.1 5,-0.3 47,-0.1 0.775 66.8 21.3 -91.5 -33.3 65.2 44.8 47.1 16 17 A E S > S- 0 0 125 4,-0.2 3,-1.5 3,-0.1 -1,-0.3 -0.995 89.9 -91.5-140.4 144.8 64.7 43.6 43.6 17 18 A P T 3 S+ 0 0 56 0, 0.0 37,-0.2 0, 0.0 36,-0.1 -0.230 104.6 1.8 -52.8 129.8 64.4 40.2 41.8 18 19 A N T 3 S+ 0 0 87 35,-3.0 36,-0.1 1,-0.2 35,-0.1 0.545 102.9 116.0 74.8 13.0 67.5 38.6 40.6 19 20 A K S < S- 0 0 118 -3,-1.5 -1,-0.2 34,-0.3 -3,-0.1 -0.673 75.7 -80.0-110.1 157.9 69.8 41.3 41.9 20 21 A P - 0 0 90 0, 0.0 -5,-0.3 0, 0.0 -4,-0.2 -0.285 44.3-116.2 -61.0 144.2 72.5 41.0 44.6 21 22 A L - 0 0 6 -7,-0.1 2,-0.4 -6,-0.1 -7,-0.2 -0.526 28.3-144.8 -72.2 145.9 71.4 41.0 48.2 22 23 A V E -A 13 0A 55 -9,-2.1 -9,-2.6 -2,-0.2 2,-0.9 -0.944 8.9-130.3-116.5 140.0 72.8 43.9 50.1 23 24 A I E +A 12 0A 65 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.792 39.4 170.6 -93.2 108.2 73.8 43.6 53.7 24 25 A E E -A 11 0A 54 -13,-1.9 -13,-1.9 -2,-0.9 2,-0.4 -0.734 41.1-107.5-106.9 162.0 72.2 46.4 55.6 25 26 A D E -A 10 0A 76 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.3 -0.744 48.2-171.9 -71.2 136.8 71.8 47.4 59.1 26 27 A V E -A 9 0A 0 -17,-3.5 -17,-1.8 -2,-0.4 2,-0.6 -0.938 26.4-118.9-132.2 160.1 68.1 46.7 60.0 27 28 A Q E -AC 8 133A 56 106,-2.7 106,-1.4 -2,-0.3 2,-0.7 -0.871 23.1-164.3 -96.2 117.3 65.7 47.4 62.9 28 29 A V E -AC 7 132A 0 -21,-3.2 -21,-1.8 -2,-0.6 104,-0.2 -0.911 16.1-143.3-104.5 108.7 64.3 44.2 64.4 29 30 A A - 0 0 28 102,-2.8 -24,-0.1 -2,-0.7 -23,-0.1 -0.197 26.0 -96.0 -64.2 163.3 61.3 45.1 66.5 30 31 A P - 0 0 37 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.449 49.9 -83.9 -80.2 160.3 60.6 43.2 69.8 31 32 A P - 0 0 21 0, 0.0 48,-0.2 0, 0.0 3,-0.1 -0.398 38.7-156.4 -69.3 135.9 58.2 40.3 69.9 32 33 A Q > - 0 0 59 1,-0.2 3,-2.1 46,-0.2 46,-0.3 -0.213 53.4 -39.3 -90.5-168.6 54.5 40.8 70.4 33 34 A A T 3 S+ 0 0 34 1,-0.3 -1,-0.2 45,-0.2 93,-0.2 -0.235 133.1 9.5 -55.5 134.4 52.0 38.2 71.8 34 35 A G T 3 S+ 0 0 23 45,-2.2 122,-2.8 1,-0.2 -1,-0.3 0.403 106.0 120.5 77.4 -1.3 52.8 34.7 70.6 35 36 A E E < -G 155 0C 1 -3,-2.1 43,-3.3 120,-0.2 2,-0.4 -0.563 47.6-155.3-108.2 161.5 56.1 35.8 69.1 36 37 A V E -GH 154 77C 0 118,-2.5 118,-2.3 41,-0.2 2,-0.5 -0.994 7.5-148.8-141.3 117.5 59.7 34.8 69.6 37 38 A R E -GH 153 76C 0 39,-3.2 38,-2.5 -2,-0.4 39,-1.5 -0.834 23.0-164.6 -93.6 124.1 62.8 36.9 68.9 38 39 A I E -GH 152 74C 0 114,-3.1 114,-1.9 -2,-0.5 2,-0.8 -0.940 24.0-140.0-118.3 131.2 65.9 34.7 67.9 39 40 A K E -GH 151 73C 86 34,-3.0 34,-2.8 -2,-0.5 2,-0.6 -0.755 29.5-148.9 -78.6 110.4 69.6 35.4 67.6 40 41 A I E + H 0 72C 1 110,-2.3 32,-0.2 -2,-0.8 3,-0.1 -0.781 24.2 173.7 -89.6 122.9 70.4 33.5 64.5 41 42 A L E + 0 0 43 30,-1.5 335,-2.0 -2,-0.6 336,-0.4 0.789 67.4 16.4 -91.9 -39.2 73.9 32.1 64.6 42 43 A Y E -IH 375 71C 61 29,-1.8 29,-1.9 333,-0.2 2,-0.4 -0.998 61.3-179.1-143.7 134.2 74.0 30.0 61.4 43 44 A T E -IH 374 70C 0 331,-2.1 331,-3.4 -2,-0.3 27,-0.3 -0.991 8.1-160.5-133.2 139.7 71.7 29.9 58.3 44 45 A A E -IH 373 69C 0 25,-3.0 25,-0.6 -2,-0.4 2,-0.3 -0.567 11.8-141.1-103.3 176.6 71.9 27.8 55.2 45 46 A L E +I 372 0C 2 327,-1.0 327,-0.5 -2,-0.2 2,-0.3 -0.976 18.4 175.2-136.8 154.2 70.3 28.4 51.9 46 47 A C >> - 0 0 5 -2,-0.3 3,-1.9 325,-0.1 4,-1.0 -0.916 51.3 -77.2-144.4 177.0 68.5 26.3 49.3 47 48 A H H 3> S+ 0 0 119 -2,-0.3 4,-3.1 1,-0.3 3,-0.5 0.855 120.9 66.3 -40.6 -45.0 66.7 26.4 45.9 48 49 A T H 3> S+ 0 0 49 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.847 101.2 47.4 -50.1 -38.6 63.5 27.6 47.8 49 50 A D H <> S+ 0 0 0 -3,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.872 113.8 46.7 -69.2 -41.6 65.2 30.9 48.7 50 51 A A H X S+ 0 0 14 -4,-1.0 4,-3.0 -3,-0.5 6,-0.3 0.806 101.8 64.4 -71.7 -34.1 66.5 31.5 45.1 51 52 A Y H <>S+ 0 0 42 -4,-3.1 5,-1.1 1,-0.2 6,-0.6 0.944 112.5 36.6 -56.7 -41.8 63.1 30.6 43.6 52 53 A T H ><5S+ 0 0 5 -4,-1.1 3,-1.0 -5,-0.2 -2,-0.2 0.881 116.3 52.1 -79.2 -36.5 61.8 33.7 45.4 53 54 A W H 3<5S+ 0 0 39 -4,-2.0 -35,-3.0 1,-0.2 -34,-0.3 0.870 102.3 61.0 -65.5 -34.9 65.0 35.8 44.9 54 55 A S T 3<5S- 0 0 24 -4,-3.0 -1,-0.2 -37,-0.2 -2,-0.2 0.647 113.5-117.5 -69.1 -15.6 65.0 35.1 41.2 55 56 A G T < 5S+ 0 0 38 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.469 85.9 113.2 92.1 5.9 61.5 36.8 40.9 56 57 A K < + 0 0 143 -5,-1.1 243,-0.3 -6,-0.3 -4,-0.2 0.579 48.6 92.5 -88.3 -9.1 59.8 33.7 39.7 57 58 A D > - 0 0 33 -6,-0.6 3,-1.6 -5,-0.2 241,-0.0 -0.758 61.9-157.6 -91.9 117.5 57.6 33.2 42.8 58 59 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.624 95.7 56.5 -73.6 -7.5 54.3 34.9 42.3 59 60 A E T 3 S+ 0 0 130 2,-0.0 -2,-0.0 -3,-0.0 -7,-0.0 0.511 83.4 122.2 -89.9 -8.7 53.9 35.0 46.1 60 61 A G < - 0 0 22 -3,-1.6 2,-0.4 -5,-0.0 82,-0.1 -0.256 42.0-170.0 -60.9 139.4 57.2 36.9 46.3 61 62 A L - 0 0 58 80,-0.1 -2,-0.0 79,-0.0 79,-0.0 -0.993 19.5-118.3-129.7 134.0 57.2 40.3 48.0 62 63 A F S S+ 0 0 51 -2,-0.4 -47,-0.1 1,-0.2 2,-0.1 -0.947 85.3 40.1-122.8 148.0 60.1 42.7 47.9 63 64 A P S S+ 0 0 33 0, 0.0 77,-3.6 0, 0.0 2,-0.3 0.495 86.1 146.7 -85.0 153.2 61.8 44.0 49.7 64 65 A C B -Ef 14 140B 2 -50,-2.0 -50,-2.4 75,-0.2 2,-0.7 -0.967 51.4-122.6-147.9 157.1 62.3 41.0 52.0 65 66 A I - 0 0 0 75,-2.2 77,-0.3 -2,-0.3 -52,-0.1 -0.931 39.0-160.7 -99.2 112.1 64.7 39.1 54.2 66 67 A L + 0 0 0 -2,-0.7 82,-2.2 -54,-0.4 -54,-0.1 -0.029 35.9 100.5 -79.6-175.9 64.9 35.6 52.8 67 68 A G + 0 0 0 80,-0.2 80,-1.9 79,-0.2 79,-0.6 0.392 23.0 175.4 102.2 131.9 66.1 32.4 54.6 68 69 A H + 0 0 0 -24,-0.3 2,-0.5 78,-0.2 26,-0.3 0.213 63.1 79.0-144.7 1.9 64.3 29.5 56.3 69 70 A E E +H 44 0C 0 -25,-0.6 -25,-3.0 24,-0.1 2,-0.3 -0.928 66.5 123.9-120.5 103.2 67.1 27.0 57.3 70 71 A A E -H 43 0C 0 -2,-0.5 2,-0.3 22,-0.4 -27,-0.2 -0.959 42.6-154.0-155.3 167.3 68.7 28.2 60.6 71 72 A A E +H 42 0C 0 -29,-1.9 -29,-1.8 -2,-0.3 -30,-1.5 -0.979 32.5 132.5-147.5 144.8 69.6 27.6 64.1 72 73 A G E -HJ 40 90C 0 18,-2.3 18,-2.1 -2,-0.3 2,-0.4 -0.852 48.0 -78.5-165.1-159.6 70.1 30.1 66.9 73 74 A I E -HJ 39 89C 47 -34,-2.8 -34,-3.0 -2,-0.3 16,-0.2 -0.996 41.5-111.7-136.8 125.3 69.4 31.1 70.4 74 75 A V E -H 38 0C 3 14,-2.7 13,-3.5 -2,-0.4 -36,-0.3 -0.379 27.8-178.1 -60.4 124.1 66.2 32.8 71.7 75 76 A E E - 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0 0 80 -3,-1.6 3,-1.4 1,-0.1 -3,-0.0 -0.760 64.2-141.5 -88.0 129.7 19.2 5.6 28.3 746 368 B G T 3 S+ 0 0 28 -2,-0.5 -1,-0.1 1,-0.3 -140,-0.1 0.776 98.1 46.9 -64.8 -34.3 19.3 7.7 31.4 747 369 B T T 3 S+ 0 0 105 2,-0.0 2,-0.4 -135,-0.0 -1,-0.3 0.492 97.2 102.8 -87.3 -1.2 16.9 5.8 33.6 748 370 B A < + 0 0 11 -3,-1.4 3,-0.1 -6,-0.2 -21,-0.1 -0.694 37.8 165.3 -91.0 135.1 18.6 2.5 32.6 749 371 B L - 0 0 27 -2,-0.4 2,-0.2 1,-0.4 -22,-0.2 0.232 59.9 -13.5-109.4-124.8 21.0 0.5 34.7 750 372 B R E - k 0 727I 22 -24,-3.0 -22,-2.6 -327,-0.0 -21,-1.4 -0.537 56.0-152.4 -84.2 146.7 22.0 -3.1 34.0 751 373 B A E - k 0 729I 5 -327,-0.5 -327,-0.8 -2,-0.2 2,-0.5 -0.948 7.7-154.1-108.9 134.8 20.1 -5.3 31.5 752 374 B V E -Hk 423 730I 2 -23,-2.5 -21,-2.0 -2,-0.4 2,-0.5 -0.960 8.4-149.2-112.8 126.2 20.2 -9.0 32.0 753 375 B L E -Hk 422 731I 0 -331,-4.0 -331,-1.8 -2,-0.5 2,-0.6 -0.854 6.9-143.5-104.0 122.7 19.7 -11.3 28.9 754 376 B D E > -Hk 421 732I 44 -23,-2.1 -21,-2.3 -2,-0.5 3,-1.0 -0.737 13.6-155.2 -80.8 116.8 18.1 -14.7 29.1 755 377 B T T 3 S+ 0 0 8 -335,-1.8 -366,-0.2 -2,-0.6 -1,-0.1 0.527 79.4 77.8 -76.0 -11.2 20.0 -16.8 26.6 756 378 B S T 3 0 0 73 -336,-0.4 -1,-0.2 -227,-0.0 -24,-0.1 0.451 360.0 360.0 -78.9 -0.3 17.3 -19.3 25.8 757 379 B K < 0 0 177 -3,-1.0 -23,-1.1 -26,-0.1 -24,-1.1 -0.954 360.0 360.0-142.9 360.0 15.4 -16.8 23.6