==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-NOV-11 3UOG . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI 1021; . AUTHOR V.N.MALASHKEVICH,R.BHOSLE,R.TORO,R.SEIDEL,S.C.ALMO,NEW YORK . 682 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26801.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 480 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 13.2 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 57 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 3.7 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 2 1 2 3 1 5 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 4 4 2 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 1 6 1 2 2 0 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 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 0 A X 0 0 258 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.5 38.8 23.0 8.1 2 1 A X - 0 0 63 1,-0.1 2,-0.2 2,-0.0 72,-0.0 -0.507 360.0 -96.6 -88.2 167.7 35.4 21.6 7.2 3 2 A S - 0 0 61 -2,-0.2 23,-0.1 1,-0.1 -1,-0.1 -0.525 18.9-135.2 -89.0 158.8 32.5 21.9 9.6 4 3 A K S S+ 0 0 177 -2,-0.2 22,-1.9 21,-0.1 2,-0.3 0.771 80.9 43.0 -83.4 -29.6 31.4 19.2 12.0 5 4 A W E -A 25 0A 143 20,-0.3 2,-0.3 18,-0.0 -2,-0.1 -0.870 61.2-166.5-123.4 152.2 27.6 19.3 11.6 6 5 A X E -A 24 0A 1 18,-3.2 18,-2.3 -2,-0.3 2,-0.3 -0.947 16.5-126.8-134.9 157.8 25.2 19.6 8.7 7 6 A Q E +A 23 0A 62 -2,-0.3 117,-2.9 16,-0.2 2,-0.3 -0.810 29.0 168.3-101.2 145.4 21.6 20.3 8.1 8 7 A E E -AB 22 123A 6 14,-2.2 14,-2.6 -2,-0.3 2,-0.6 -0.958 39.2-112.4-142.9 159.1 19.1 18.2 6.1 9 8 A W E +A 21 0A 17 113,-2.8 2,-0.3 -2,-0.3 12,-0.2 -0.892 52.9 171.4 -93.1 128.0 15.4 17.9 5.4 10 9 A S E -A 20 0A 9 10,-3.2 10,-1.8 -2,-0.6 2,-0.4 -0.954 27.6-160.0-146.7 150.3 14.4 14.7 7.0 11 10 A T B -C 63 0B 2 52,-2.1 52,-2.5 -2,-0.3 8,-0.2 -0.998 14.4-160.5-136.8 137.9 11.4 12.5 8.0 12 11 A E S S+ 0 0 130 6,-0.4 2,-0.3 -2,-0.4 49,-0.1 0.603 85.4 25.5 -83.3 -12.7 11.0 9.6 10.5 13 12 A T > - 0 0 64 50,-0.1 5,-0.6 5,-0.0 2,-0.3 -0.916 65.1-152.2-146.7 156.1 7.8 8.5 8.6 14 13 A V T 5 + 0 0 28 -2,-0.3 3,-0.3 3,-0.2 38,-0.2 -0.995 64.5 51.5-132.6 151.6 6.1 8.6 5.2 15 14 A A T 5S+ 0 0 45 36,-2.0 -1,-0.2 -2,-0.3 37,-0.1 0.919 133.5 25.5 64.0 52.3 2.5 8.5 4.1 16 15 A P T 5S- 0 0 104 0, 0.0 2,-0.3 0, 0.0 36,-0.1 0.400 105.7-164.0 -98.7 168.6 2.1 10.5 5.9 17 16 A H T 5 - 0 0 66 -3,-0.3 -3,-0.2 -2,-0.1 2,-0.2 -0.731 22.0-158.7-104.7 153.1 5.4 12.3 6.4 18 17 A D < - 0 0 99 -5,-0.6 -6,-0.4 -2,-0.3 2,-0.1 -0.581 25.4-177.8-122.2 74.4 6.8 14.7 8.9 19 18 A L + 0 0 20 -2,-0.2 2,-0.3 -8,-0.2 -8,-0.2 -0.416 17.0 142.6 -72.1 138.0 9.6 16.3 6.9 20 19 A K E -A 10 0A 123 -10,-1.8 -10,-3.2 -2,-0.1 2,-0.5 -0.974 52.0 -69.2-166.1 170.8 11.6 18.9 8.9 21 20 A L E +A 9 0A 65 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.644 49.5 173.2 -78.6 122.2 15.0 20.4 9.5 22 21 A A E -A 8 0A 36 -14,-2.6 -14,-2.2 -2,-0.5 2,-0.5 -0.905 21.5-144.8-123.9 159.2 17.5 18.1 11.3 23 22 A E E +A 7 0A 116 -2,-0.3 -16,-0.2 -16,-0.2 -2,-0.0 -0.976 27.2 160.7-125.9 120.6 21.1 18.5 12.2 24 23 A R E -A 6 0A 101 -18,-2.3 -18,-3.2 -2,-0.5 2,-0.1 -0.877 45.0 -79.6-134.3 168.1 23.5 15.6 12.1 25 24 A P E -A 5 0A 73 0, 0.0 -20,-0.3 0, 0.0 -21,-0.1 -0.406 51.7-104.7 -65.3 140.0 27.3 15.0 11.9 26 25 A V - 0 0 28 -22,-1.9 100,-0.0 -23,-0.1 -21,-0.0 -0.517 46.7-117.8 -61.0 123.3 28.8 15.2 8.5 27 26 A P - 0 0 44 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.267 26.9-102.3 -73.4 159.0 29.4 11.5 7.6 28 27 A E - 0 0 182 1,-0.1 2,-0.4 -3,-0.1 99,-0.0 -0.550 32.1-120.1 -79.8 139.5 32.9 10.2 7.0 29 28 A A - 0 0 32 -2,-0.2 6,-0.1 4,-0.1 -1,-0.1 -0.672 24.5-141.9 -80.1 128.2 34.0 9.6 3.4 30 29 A G > - 0 0 30 -2,-0.4 3,-0.6 4,-0.1 47,-0.1 -0.200 40.6 -81.0 -75.8 178.5 35.0 6.1 2.6 31 30 A E T 3 S+ 0 0 113 1,-0.3 48,-2.4 46,-0.2 49,-0.4 0.777 131.1 27.0 -53.6 -36.8 37.9 5.3 0.3 32 31 A H T 3 S+ 0 0 90 47,-0.1 98,-1.9 46,-0.1 -1,-0.3 0.423 99.7 104.6-107.5 -5.2 35.9 5.8 -2.9 33 32 A D E < -D 129 0C 41 -3,-0.6 44,-1.8 96,-0.2 2,-0.3 -0.406 53.7-154.4 -73.6 153.5 33.3 8.3 -1.6 34 33 A I E -DE 128 76C 0 94,-2.5 94,-1.3 42,-0.2 2,-0.5 -0.910 12.2-132.4-117.5 156.5 33.5 12.1 -2.4 35 34 A I E -DE 127 75C 14 40,-3.3 39,-4.0 -2,-0.3 40,-1.2 -0.957 23.6-169.2-108.9 123.3 32.0 14.9 -0.3 36 35 A V E -DE 126 73C 0 90,-2.3 90,-1.8 -2,-0.5 2,-0.7 -0.902 19.0-139.4-111.7 135.1 30.0 17.4 -2.2 37 36 A R E -DE 125 72C 87 35,-3.4 35,-2.4 -2,-0.4 88,-0.2 -0.906 33.5-123.9 -92.9 122.8 28.8 20.7 -0.8 38 37 A T E + E 0 71C 3 86,-2.4 33,-0.3 -2,-0.7 3,-0.1 -0.422 38.7 166.8 -73.4 128.4 25.3 21.1 -2.1 39 38 A L E + 0 0 32 31,-2.7 302,-3.3 1,-0.4 2,-0.3 0.774 66.5 10.3-107.6 -37.8 24.5 24.2 -4.1 40 39 A A E -FE 340 70C 0 30,-2.1 30,-2.1 300,-0.2 2,-0.4 -1.000 53.3-165.1-144.5 140.7 21.2 23.4 -5.7 41 40 A V E -FE 339 69C 0 298,-2.9 298,-4.0 -2,-0.3 2,-0.5 -0.996 11.0-152.7-126.0 132.3 18.5 20.7 -5.5 42 41 A S E -FE 338 68C 0 26,-1.8 26,-0.7 -2,-0.4 25,-0.5 -0.875 16.4-137.7-100.0 129.5 15.7 20.2 -8.2 43 42 A L - 0 0 2 294,-2.8 294,-0.5 -2,-0.5 2,-0.3 -0.512 15.9-161.6 -83.5 156.4 12.5 18.7 -7.0 44 43 A N >> - 0 0 14 -2,-0.2 3,-1.1 292,-0.1 4,-0.6 -0.914 31.8-112.0-133.2 157.4 10.7 16.0 -9.0 45 44 A Y H >> S+ 0 0 108 -2,-0.3 4,-1.3 1,-0.3 3,-1.0 0.846 112.7 66.1 -65.3 -31.7 7.1 14.9 -8.8 46 45 A R H 3> S+ 0 0 17 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.809 89.4 65.1 -57.2 -30.9 8.2 11.5 -7.4 47 46 A D H <> S+ 0 0 1 -3,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.823 101.1 50.6 -60.7 -34.7 9.5 13.1 -4.2 48 47 A K H S+ 0 0 22 -4,-1.3 4,-2.6 2,-0.2 5,-1.1 0.846 111.6 47.7 -68.1 -41.9 4.9 10.5 -4.0 50 49 A V H X5S+ 0 0 1 -4,-2.8 4,-1.3 3,-0.2 -2,-0.2 0.973 116.8 44.1 -62.5 -54.2 7.7 9.0 -1.9 51 50 A L H <5S+ 0 0 1 -4,-2.3 -36,-2.0 1,-0.2 -2,-0.2 0.953 125.3 33.0 -52.9 -49.8 6.9 11.4 1.0 52 51 A E H <5S+ 0 0 90 -4,-3.0 -1,-0.2 -38,-0.2 -3,-0.2 0.723 135.5 18.7 -89.8 -22.8 3.1 11.0 0.7 53 52 A T H <5S- 0 0 82 -4,-2.6 3,-0.4 -5,-0.2 -3,-0.2 0.673 85.0-129.9-113.7 -24.8 2.7 7.3 -0.4 54 53 A G ><< - 0 0 9 -4,-1.3 3,-1.6 -5,-1.1 -4,-0.2 -0.103 33.2-127.3 90.6 -31.9 6.0 5.6 0.5 55 54 A X T 3 - 0 0 42 -6,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.769 55.5 -72.5 61.2 28.9 5.9 4.3 -3.2 56 55 A G T 3 S+ 0 0 85 -3,-0.4 -1,-0.3 1,-0.2 2,-0.1 0.394 96.5 141.3 69.7 -1.2 6.3 0.8 -2.0 57 56 A L < - 0 0 59 -3,-1.6 2,-0.9 1,-0.1 -1,-0.2 -0.347 57.7-125.8 -79.8 151.0 10.0 1.4 -1.1 58 57 A D - 0 0 161 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.1 -0.841 40.4-165.8 -90.7 108.1 12.0 0.1 1.8 59 58 A L - 0 0 19 -2,-0.9 2,-0.7 4,-0.0 58,-0.1 -0.764 22.1-133.3-104.1 143.3 13.4 3.4 3.2 60 59 A A - 0 0 83 56,-0.5 56,-0.1 -2,-0.4 -2,-0.0 -0.864 43.1-113.3 -90.0 116.5 16.1 4.0 5.7 61 60 A F S S+ 0 0 87 -2,-0.7 2,-0.2 2,-0.1 -49,-0.1 -0.737 102.5 55.7 -97.1 146.0 14.8 6.5 8.3 62 61 A P S S- 0 0 71 0, 0.0 2,-0.4 0, 0.0 -50,-0.2 0.518 91.5-164.6 -52.7 130.3 15.7 9.3 8.9 63 62 A F B -C 11 0B 5 -52,-2.5 -52,-2.1 -2,-0.2 -2,-0.1 -0.821 14.1-159.8 -98.5 137.8 14.9 9.6 5.2 64 63 A V - 0 0 11 -2,-0.4 56,-1.0 -54,-0.2 51,-0.2 -0.986 17.7-143.0-114.8 122.4 16.0 12.6 3.1 65 64 A P + 0 0 3 0, 0.0 57,-1.2 0, 0.0 56,-0.5 -0.130 50.9 59.5 -77.0 176.9 14.1 13.2 -0.2 66 65 A A - 0 0 0 49,-0.3 55,-1.2 54,-0.3 49,-0.3 0.439 43.4-155.6 82.2 152.2 15.2 14.3 -3.7 67 66 A S + 0 0 0 -25,-0.5 2,-0.6 53,-0.2 48,-0.1 0.593 65.8 80.9-129.6 -24.9 17.7 13.0 -6.2 68 67 A D E +E 42 0C 0 -26,-0.7 -26,-1.8 22,-0.1 2,-0.3 -0.829 53.1 146.7-103.1 120.7 18.9 15.8 -8.4 69 68 A X E -E 41 0C 0 -2,-0.6 22,-1.6 -28,-0.2 2,-0.4 -0.981 32.2-153.8-145.4 158.1 21.6 18.1 -7.1 70 69 A S E +EG 40 90C 0 -30,-2.1 -31,-2.7 -2,-0.3 -30,-2.1 -0.981 33.1 140.9-126.5 144.9 24.5 20.2 -8.2 71 70 A G E -EG 38 89C 0 18,-2.5 18,-2.4 -2,-0.4 2,-0.4 -0.893 46.2 -89.2-160.2-168.7 27.4 21.0 -5.9 72 71 A V E -EG 37 88C 22 -35,-2.4 -35,-3.4 -2,-0.2 2,-0.3 -0.964 40.6-114.0-122.2 135.3 31.2 21.5 -5.4 73 72 A V E +E 36 0C 1 14,-2.6 13,-2.8 -2,-0.4 -37,-0.3 -0.524 34.6 174.0 -73.1 126.7 33.5 18.7 -4.4 74 73 A E E + 0 0 60 -39,-4.0 2,-0.3 1,-0.4 -38,-0.2 0.853 63.5 2.0 -98.9 -47.1 34.9 19.4 -0.9 75 74 A A E -E 35 0C 37 -40,-1.2 -40,-3.3 9,-0.1 -1,-0.4 -0.996 58.0-155.8-145.6 144.7 36.9 16.2 -0.2 76 75 A V E -E 34 0C 50 -2,-0.3 -42,-0.2 -42,-0.2 -43,-0.1 -0.915 25.8-113.3-120.1 149.7 37.7 12.9 -2.0 77 76 A G > - 0 0 10 -44,-1.8 3,-2.2 -2,-0.3 -46,-0.2 -0.333 43.0 -89.8 -76.2 166.0 38.7 9.5 -0.4 78 77 A K T 3 S+ 0 0 205 1,-0.3 -46,-0.1 -2,-0.1 -47,-0.1 0.710 125.1 38.8 -48.4 -30.2 42.1 8.0 -0.8 79 78 A S T 3 S+ 0 0 46 -48,-2.4 2,-0.3 -46,-0.1 -1,-0.3 0.232 78.8 133.8-112.0 13.4 41.2 6.1 -4.0 80 79 A V < + 0 0 24 -3,-2.2 -48,-0.1 -49,-0.4 -4,-0.1 -0.506 17.4 164.1 -68.9 129.8 39.0 8.7 -5.8 81 80 A T + 0 0 108 -2,-0.3 -1,-0.2 -49,-0.1 3,-0.1 0.576 62.7 63.6-117.3 -24.3 40.0 9.0 -9.5 82 81 A R S S+ 0 0 72 1,-0.2 2,-0.3 52,-0.0 53,-0.1 0.729 107.4 16.7 -84.9 -24.4 37.0 10.8 -11.0 83 82 A F - 0 0 13 4,-0.0 -1,-0.2 52,-0.0 3,-0.0 -0.997 54.7-153.4-150.7 151.8 37.1 14.1 -9.2 84 83 A R > - 0 0 179 -2,-0.3 3,-2.0 1,-0.1 -11,-0.3 -0.811 48.9 -74.9-117.8 161.0 39.2 16.4 -7.1 85 84 A P T 3 S+ 0 0 76 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.293 119.9 34.3 -53.0 137.4 38.2 19.1 -4.6 86 85 A G T 3 S+ 0 0 51 -13,-2.8 -12,-0.1 1,-0.4 2,-0.1 0.080 84.6 127.5 104.0 -25.1 36.8 22.1 -6.4 87 86 A D < - 0 0 59 -3,-2.0 -14,-2.6 -15,-0.1 2,-0.4 -0.374 59.3-125.3 -64.2 142.5 35.2 20.2 -9.3 88 87 A R E +G 72 0C 110 -16,-0.2 48,-2.7 48,-0.1 2,-0.3 -0.781 37.5 178.1 -91.3 132.3 31.5 21.0 -10.0 89 88 A V E -GH 71 135C 0 -18,-2.4 -18,-2.5 -2,-0.4 2,-0.3 -0.882 26.5-155.9-131.0 160.8 29.2 18.0 -10.1 90 89 A I E -GH 70 134C 0 44,-2.2 44,-2.7 -2,-0.3 -20,-0.2 -0.955 30.8-117.0-126.2 153.2 25.7 16.8 -10.4 91 90 A S E - 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