==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(NAD(A)-CHOH(D)) 18-OCT-93 1ADF . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR H.LI,W.A.HALLOWS,J.S.PUNZI,V.E.MARQUEZ,H.L.CARRELL, . 374 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15710.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 12.0 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 . 1 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 . 31 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 2 0 0 1 1 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 3 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 0 PARALLEL BRIDGES PER LADDER . 2 3 2 0 1 0 2 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 . 0 1 0 1 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 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 1 A S 0 0 142 0, 0.0 2,-2.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-107.6 -5.1 26.5 -5.7 2 2 A T > + 0 0 49 2,-0.1 3,-1.9 4,-0.1 73,-0.1 0.085 360.0 119.5 14.8 -49.9 -6.0 23.8 -3.0 3 3 A A T 3 S+ 0 0 62 -2,-2.2 3,-0.1 1,-0.3 72,-0.0 -0.186 90.5 1.5 -41.7 106.9 -8.4 25.9 -1.0 4 4 A G T 3 S+ 0 0 51 1,-0.2 -1,-0.3 25,-0.0 2,-0.2 -0.045 112.7 96.6 102.8 -29.1 -11.6 24.2 -1.1 5 5 A K S < S- 0 0 127 -3,-1.9 -1,-0.2 24,-0.1 23,-0.0 -0.591 82.2-100.5 -95.8 153.8 -10.5 21.1 -3.1 6 6 A V - 0 0 69 -2,-0.2 2,-0.3 -3,-0.1 23,-0.2 -0.404 37.7-139.5 -59.8 147.9 -9.5 17.8 -1.7 7 7 A I E -A 28 0A 15 21,-2.1 21,-2.8 -2,-0.0 2,-0.4 -0.793 5.9-151.0-109.6 153.7 -5.7 17.3 -1.6 8 8 A K E +A 27 0A 125 -2,-0.3 2,-0.3 19,-0.3 19,-0.3 -0.991 35.3 143.5-126.2 119.4 -3.9 14.0 -2.5 9 9 A C E -A 26 0A 6 17,-2.6 17,-3.4 -2,-0.4 2,-0.3 -0.857 50.6 -88.8-147.3 171.1 -0.6 13.5 -0.7 10 10 A K E +A 25 0A 81 -2,-0.3 138,-1.3 15,-0.2 2,-0.3 -0.717 46.1 161.4 -85.8 142.5 1.6 10.9 0.9 11 11 A A E -AB 24 147A 0 13,-1.6 13,-2.3 -2,-0.3 2,-0.6 -0.946 42.1-105.6-150.0 164.3 1.1 10.0 4.6 12 12 A A E -A 23 0A 0 134,-2.4 53,-0.4 -2,-0.3 2,-0.4 -0.868 36.2-162.4 -99.3 120.3 2.1 7.0 6.8 13 13 A V E -A 22 0A 0 9,-2.9 9,-2.1 -2,-0.6 2,-0.9 -0.851 16.7-151.7-107.4 136.5 -0.8 4.7 7.5 14 14 A L B +E 63 0B 0 49,-2.5 49,-1.8 -2,-0.4 3,-0.1 -0.933 17.0 179.4-100.0 105.9 -0.9 2.1 10.3 15 15 A W - 0 0 88 -2,-0.9 2,-0.3 5,-0.4 -1,-0.2 0.879 69.5 -2.6 -77.9 -35.8 -3.3 -0.3 8.7 16 16 A E S > S- 0 0 113 4,-0.3 3,-0.8 -3,-0.2 -1,-0.3 -0.990 86.9 -83.5-156.8 151.8 -2.9 -2.6 11.8 17 17 A E T 3 S+ 0 0 82 -2,-0.3 37,-0.2 1,-0.2 36,-0.1 -0.023 105.6 18.8 -59.1 147.2 -1.0 -2.8 15.1 18 18 A K T 3 S+ 0 0 128 35,-2.8 -1,-0.2 1,-0.3 36,-0.1 0.773 102.4 105.4 63.4 29.9 2.4 -4.2 15.3 19 19 A K S < S- 0 0 108 -3,-0.8 -1,-0.3 34,-0.2 -3,-0.0 -0.907 74.9 -98.0-122.8 157.4 3.0 -3.7 11.6 20 20 A P - 0 0 91 0, 0.0 -5,-0.4 0, 0.0 2,-0.3 -0.180 42.2 -92.2 -63.1 164.4 5.2 -1.0 10.0 21 21 A F - 0 0 12 -7,-0.1 2,-0.4 -6,-0.1 335,-0.2 -0.647 34.0-149.6 -80.3 140.3 4.0 2.2 8.5 22 22 A S E -A 13 0A 33 -9,-2.1 -9,-2.9 -2,-0.3 2,-0.5 -0.871 13.8-131.4-111.4 138.2 3.1 2.4 4.9 23 23 A I E +A 12 0A 49 -2,-0.4 2,-0.3 -11,-0.3 -11,-0.2 -0.792 41.8 177.8 -78.9 127.5 3.5 5.6 2.8 24 24 A E E -A 11 0A 40 -13,-2.3 -13,-1.6 -2,-0.5 2,-0.5 -0.977 38.3-107.5-136.3 152.8 0.1 5.7 1.0 25 25 A E E -A 10 0A 88 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.723 49.8-175.4 -84.5 127.8 -1.5 8.2 -1.4 26 26 A V E -A 9 0A 0 -17,-3.4 -17,-2.6 -2,-0.5 2,-0.5 -0.862 23.5-136.9-128.7 149.4 -4.1 9.9 0.8 27 27 A E E -AC 8 131A 58 104,-1.6 104,-1.2 -2,-0.3 2,-0.7 -0.965 11.3-154.6-117.7 134.2 -6.8 12.4 0.1 28 28 A V E -AC 7 130A 0 -21,-2.8 -21,-2.1 -2,-0.5 102,-0.2 -0.917 16.5-141.2-115.7 96.3 -7.2 15.2 2.5 29 29 A A - 0 0 30 100,-1.0 -24,-0.1 -2,-0.7 3,-0.1 -0.133 30.9 -92.8 -50.6 149.2 -10.8 16.5 2.4 30 30 A P - 0 0 45 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.378 50.5 -88.6 -65.1 151.1 -11.4 20.4 2.7 31 31 A P - 0 0 21 0, 0.0 47,-0.3 0, 0.0 3,-0.1 -0.379 34.3-149.0 -58.0 127.1 -12.0 22.0 6.1 32 32 A K > - 0 0 118 1,-0.2 3,-1.4 -2,-0.2 45,-0.2 -0.055 55.8 -45.6 -81.1-165.1 -15.6 22.2 7.4 33 33 A A T 3 S+ 0 0 36 1,-0.3 -1,-0.2 44,-0.2 46,-0.2 -0.411 131.9 11.9 -67.3 143.7 -16.5 25.2 9.7 34 34 A H T 3 S+ 0 0 99 44,-1.1 120,-2.9 1,-0.2 121,-0.3 0.738 104.0 114.3 61.9 25.0 -13.9 25.8 12.5 35 35 A E E < -G 153 0C 4 -3,-1.4 42,-2.1 118,-0.3 2,-0.3 -0.760 47.7-163.1-113.6 158.7 -11.3 23.5 10.9 36 36 A V E -GH 152 76C 0 116,-1.8 116,-2.3 -2,-0.3 2,-0.5 -0.967 13.5-140.5-136.8 147.8 -8.0 24.6 9.4 37 37 A R E -GH 151 75C 0 38,-2.4 37,-2.3 -2,-0.3 38,-0.6 -0.978 22.9-156.2-115.3 124.4 -6.0 22.3 7.0 38 38 A I E -GH 150 73C 0 112,-2.9 112,-1.8 -2,-0.5 2,-0.7 -0.723 16.0-139.1-101.8 148.9 -2.3 22.5 7.7 39 39 A K E -GH 149 72C 84 33,-2.9 33,-2.7 -2,-0.3 110,-0.2 -0.949 33.2-131.4-103.7 114.6 0.7 21.7 5.4 40 40 A M E + H 0 71C 2 108,-1.4 31,-0.2 -2,-0.7 3,-0.1 -0.357 31.3 173.9 -63.3 136.2 3.2 19.8 7.6 41 41 A V E - 0 0 44 29,-1.5 333,-2.2 1,-0.4 2,-0.3 0.731 69.6 -3.3-112.6 -33.5 6.9 21.0 7.6 42 42 A A E -IH 373 70C 0 28,-1.2 28,-1.3 331,-0.3 -1,-0.4 -0.945 58.5-167.2-160.6 136.6 8.5 18.7 10.4 43 43 A T E -IH 372 69C 0 329,-2.3 329,-3.1 -2,-0.3 2,-0.3 -0.990 16.0-138.2-131.6 136.7 7.1 16.1 12.8 44 44 A G E -I 371 0C 0 24,-2.7 2,-0.7 -2,-0.4 24,-0.5 -0.641 17.1-124.6 -90.5 153.5 8.9 14.6 15.8 45 45 A I - 0 0 4 325,-2.5 325,-0.5 -2,-0.3 2,-0.3 -0.867 33.2-178.2 -98.6 117.1 8.8 11.0 16.6 46 46 A C >> - 0 0 11 -2,-0.7 3,-1.7 1,-0.1 4,-1.0 -0.820 38.3-118.8-105.3 150.1 7.5 10.5 20.2 47 47 A R H 3> S+ 0 0 118 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.850 109.7 71.5 -57.7 -29.2 7.2 7.1 22.1 48 48 A S H 34 S+ 0 0 41 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.726 97.0 51.0 -63.2 -16.2 3.4 7.8 22.4 49 49 A D H X> S+ 0 0 0 -3,-1.7 4,-0.9 2,-0.2 3,-0.8 0.877 109.2 48.5 -82.3 -40.8 3.1 7.2 18.6 50 50 A D H 3X S+ 0 0 13 -4,-1.0 4,-1.6 1,-0.2 3,-0.4 0.811 100.5 66.3 -68.3 -31.1 4.9 4.0 19.0 51 51 A H H 3X S+ 0 0 37 -4,-2.3 6,-2.4 1,-0.2 4,-0.6 0.803 98.7 54.4 -59.0 -31.5 2.5 3.1 21.9 52 52 A V H <4 S+ 0 0 2 -3,-0.8 -1,-0.2 -4,-0.5 3,-0.2 0.810 104.2 54.1 -64.5 -42.1 -0.3 3.0 19.3 53 53 A V H < S+ 0 0 8 -4,-0.9 -35,-2.8 -3,-0.4 -2,-0.2 0.820 106.7 50.0 -72.2 -36.5 1.6 0.5 17.1 54 54 A S H < S- 0 0 45 -4,-1.6 -1,-0.2 -37,-0.2 -2,-0.2 0.687 112.8-116.4 -75.6 -13.5 2.1 -2.0 20.0 55 55 A G S < S+ 0 0 11 -4,-0.6 -3,-0.1 2,-0.3 -2,-0.1 0.181 89.2 113.9 96.7 -20.4 -1.7 -1.8 20.9 56 56 A T S S+ 0 0 42 -5,-0.5 2,-0.9 -6,-0.2 -4,-0.2 0.952 76.5 48.2 -47.1 -56.7 -0.7 -0.3 24.3 57 57 A L S S- 0 0 21 -6,-2.4 2,-0.5 -7,-0.1 -2,-0.3 -0.826 90.6-152.9 -89.6 110.2 -2.4 2.9 23.3 58 58 A V + 0 0 113 -2,-0.9 -6,-0.1 238,-0.1 -5,-0.1 -0.794 33.6 144.5 -87.0 122.8 -5.8 1.7 22.0 59 59 A T - 0 0 14 -2,-0.5 2,-0.2 -7,-0.2 81,-0.1 -0.901 60.0 -75.4-145.6 157.0 -7.2 4.2 19.4 60 60 A P - 0 0 37 0, 0.0 78,-0.1 0, 0.0 60,-0.1 -0.477 61.4-117.0 -64.6 131.7 -9.3 3.2 16.2 61 61 A L S S+ 0 0 46 -2,-0.2 2,-0.2 2,-0.1 -46,-0.1 -0.778 89.1 59.6-108.9 152.5 -7.2 1.8 13.3 62 62 A P S S+ 0 0 18 0, 0.0 76,-3.0 0, 0.0 2,-0.3 0.609 84.6 166.6 -70.1 152.8 -6.3 2.4 10.5 63 63 A V B -Ef 14 138B 0 -49,-1.8 -49,-2.5 74,-0.2 2,-0.5 -0.904 45.4-137.2-137.9 154.7 -4.8 5.6 11.8 64 64 A I - 0 0 0 74,-1.3 76,-0.4 -2,-0.3 80,-0.2 -0.997 37.1-163.5-108.3 114.9 -2.5 8.4 10.8 65 65 A A + 0 0 0 -2,-0.5 81,-1.9 -53,-0.4 75,-0.2 0.168 36.3 106.4 -80.4-150.2 -0.3 8.9 14.0 66 66 A G + 0 0 0 79,-0.3 79,-0.7 78,-0.2 78,-0.7 0.265 18.6 166.5 80.9 134.2 1.9 11.9 14.8 67 67 A H + 0 0 2 -23,-0.3 2,-0.9 77,-0.2 26,-0.3 0.228 58.5 83.1-150.1 -14.7 1.1 14.6 17.4 68 68 A E S S+ 0 0 0 -24,-0.5 -24,-2.7 24,-0.1 2,-0.3 -0.783 70.9 113.7 -95.4 103.2 4.5 16.5 17.9 69 69 A A E -H 43 0C 0 -2,-0.9 2,-0.3 22,-0.4 -26,-0.2 -1.000 48.6-153.6-164.9 157.7 4.7 19.1 15.0 70 70 A A E +H 42 0C 0 -28,-1.3 -29,-1.5 -2,-0.3 -28,-1.2 -0.949 31.9 148.8-128.0 152.0 4.7 22.6 13.4 71 71 A G E -HJ 40 89C 0 18,-2.3 18,-1.7 -2,-0.3 2,-0.3 -0.726 43.8 -87.1-153.7-152.7 3.6 23.3 9.8 72 72 A I E -HJ 39 88C 36 -33,-2.7 -33,-2.9 16,-0.2 2,-0.3 -1.000 39.5-109.9-135.7 133.5 1.9 26.2 7.7 73 73 A V E +H 38 0C 4 14,-2.7 13,-3.5 -2,-0.3 -35,-0.2 -0.509 33.6 176.1 -70.9 124.0 -1.9 26.9 7.3 74 74 A E E - 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