==== 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 (NAD(A)-CHOH(D)) 16-JAN-84 5ADH . COMPND 2 MOLECULE: APO-LIVER ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR H.EKLUND,T.A.JONES . 374 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16090.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 12.6 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 . 30 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.4 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 1 0 0 1 2 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 4 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 PARALLEL BRIDGES PER LADDER . 2 2 3 0 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 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 0 167 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -77.0 -4.3 26.5 -8.7 2 2 A T - 0 0 120 1,-0.1 2,-0.3 72,-0.0 3,-0.1 0.671 360.0 -68.2 -96.2-118.8 -4.4 26.2 -4.9 3 3 A A + 0 0 20 71,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.977 60.0 127.1-155.8 144.5 -6.8 24.4 -2.5 4 4 A G S S+ 0 0 56 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 -0.051 85.3 52.3 179.4 15.2 -10.4 24.6 -1.3 5 5 A K S S- 0 0 123 1,-0.1 -1,-0.2 24,-0.1 23,-0.1 -0.923 102.9 -39.1-156.3 168.4 -10.8 21.0 -2.2 6 6 A V - 0 0 67 -2,-0.3 2,-0.3 -3,-0.1 23,-0.2 0.103 51.9-156.4 -36.5 137.7 -9.4 17.5 -1.8 7 7 A I E -A 28 0A 25 21,-1.3 21,-2.3 -4,-0.1 2,-0.4 -0.820 5.6-145.9-118.7 159.1 -5.7 17.1 -1.7 8 8 A K E +A 27 0A 135 -2,-0.3 2,-0.3 19,-0.2 19,-0.2 -0.984 36.1 135.0-134.4 117.8 -3.6 14.1 -2.4 9 9 A C E -A 26 0A 6 17,-2.0 17,-3.0 -2,-0.4 2,-0.4 -0.814 52.7 -87.6-145.9 178.3 -0.4 13.5 -0.6 10 10 A K E +A 25 0A 57 -2,-0.3 138,-2.0 15,-0.2 2,-0.3 -0.788 40.6 175.8 -99.3 143.9 1.4 10.7 1.1 11 11 A A E -AB 24 147A 0 13,-1.5 13,-2.6 -2,-0.4 2,-0.9 -0.959 36.9-108.9-142.5 153.9 0.9 9.9 4.7 12 12 A A E -A 23 0A 0 134,-3.0 53,-0.4 -2,-0.3 2,-0.4 -0.796 41.9-166.2 -89.4 107.1 2.2 7.1 6.9 13 13 A V E -A 22 0A 0 9,-2.4 9,-2.8 -2,-0.9 2,-0.6 -0.786 18.2-155.3-103.0 140.3 -0.7 4.8 7.6 14 14 A L B +E 63 0B 1 49,-2.2 49,-1.4 -2,-0.4 7,-0.1 -0.954 18.6 170.2-109.4 104.3 -1.0 2.0 10.2 15 15 A W + 0 0 97 -2,-0.6 2,-0.3 5,-0.4 -1,-0.1 0.829 67.4 14.8 -84.4 -34.5 -3.5 -0.5 8.9 16 16 A E S > S- 0 0 102 4,-0.2 3,-0.9 47,-0.1 -1,-0.2 -0.887 90.1 -87.0-139.4 159.4 -2.8 -3.2 11.6 17 17 A E T 3 S+ 0 0 110 -2,-0.3 37,-0.2 1,-0.2 36,-0.1 -0.461 105.2 9.3 -76.5 147.4 -1.1 -3.4 15.0 18 18 A K T 3 S+ 0 0 156 35,-3.6 -1,-0.2 1,-0.2 36,-0.1 0.753 99.5 119.1 53.9 32.6 2.6 -4.1 15.3 19 19 A K S < S- 0 0 108 -3,-0.9 -1,-0.2 34,-0.2 3,-0.1 -0.913 70.3-102.9-117.2 146.8 3.0 -3.7 11.6 20 20 A P - 0 0 88 0, 0.0 -5,-0.4 0, 0.0 2,-0.3 -0.162 45.6 -86.1 -62.7 172.5 5.3 -1.0 10.1 21 21 A F - 0 0 8 -7,-0.1 2,-0.6 -6,-0.1 -7,-0.2 -0.615 37.6-144.9 -77.7 137.4 3.9 2.2 8.7 22 22 A S E -A 13 0A 46 -9,-2.8 -9,-2.4 -2,-0.3 2,-0.7 -0.931 10.7-136.0-106.2 113.8 3.0 2.0 5.0 23 23 A I E +A 12 0A 51 -2,-0.6 -11,-0.2 -11,-0.2 2,-0.2 -0.652 43.0 166.3 -72.8 114.4 3.6 5.2 3.1 24 24 A E E -A 11 0A 34 -13,-2.6 -13,-1.5 -2,-0.7 2,-0.6 -0.623 40.8-103.1-122.2 176.4 0.4 5.6 1.1 25 25 A E E +A 10 0A 122 -15,-0.2 108,-0.4 -2,-0.2 2,-0.3 -0.952 44.8 175.7-109.7 122.7 -1.5 8.0 -1.0 26 26 A V E -A 9 0A 3 -17,-3.0 -17,-2.0 -2,-0.6 2,-0.5 -0.848 28.6-125.5-128.7 160.7 -4.3 9.6 0.7 27 27 A E E -AC 8 131A 68 104,-2.0 104,-1.0 -2,-0.3 2,-0.6 -0.916 16.1-155.5-109.7 131.4 -6.9 12.2 0.1 28 28 A V E -AC 7 130A 0 -21,-2.3 -21,-1.3 -2,-0.5 102,-0.2 -0.923 16.4-140.5-114.3 101.8 -7.3 15.1 2.5 29 29 A A - 0 0 33 100,-1.8 3,-0.1 -2,-0.6 -24,-0.1 -0.112 31.6 -90.7 -57.0 152.6 -10.8 16.6 2.4 30 30 A P - 0 0 46 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.327 52.6 -87.1 -66.2 152.7 -11.2 20.4 2.7 31 31 A P - 0 0 18 0, 0.0 47,-0.3 0, 0.0 3,-0.1 -0.456 40.0-149.9 -66.1 127.2 -11.7 22.0 6.2 32 32 A K > - 0 0 105 1,-0.2 3,-1.7 -2,-0.2 45,-0.3 -0.055 53.7 -40.6 -77.2-173.0 -15.2 22.2 7.3 33 33 A A T 3 S+ 0 0 44 1,-0.3 -1,-0.2 44,-0.2 46,-0.2 -0.289 132.8 6.5 -56.7 133.1 -16.3 25.0 9.7 34 34 A H T 3 S+ 0 0 89 44,-3.6 120,-2.3 1,-0.3 2,-0.3 0.756 105.2 119.2 62.0 30.9 -13.8 25.8 12.4 35 35 A E E < -G 153 0C 5 -3,-1.7 42,-2.6 118,-0.2 2,-0.4 -0.834 48.3-152.6-118.7 160.8 -11.2 23.4 10.9 36 36 A V E -GH 152 76C 0 116,-3.4 116,-3.1 -2,-0.3 2,-0.5 -0.999 5.5-145.8-138.4 135.5 -7.8 24.2 9.6 37 37 A R E -GH 151 75C 0 38,-3.0 37,-2.6 -2,-0.4 38,-1.5 -0.910 21.7-171.5-106.5 129.1 -5.7 22.5 6.9 38 38 A I E -GH 150 73C 0 112,-2.9 112,-2.0 -2,-0.5 2,-0.7 -0.939 22.6-140.6-125.4 138.5 -2.0 22.5 7.5 39 39 A K E -GH 149 72C 78 33,-2.9 33,-2.2 -2,-0.4 110,-0.2 -0.904 33.5-127.2 -97.9 115.9 1.0 21.5 5.3 40 40 A M E + H 0 71C 1 108,-1.4 31,-0.2 -2,-0.7 3,-0.1 -0.422 30.4 176.7 -68.5 132.3 3.5 19.8 7.6 41 41 A V E S- 0 0 38 29,-1.6 333,-1.0 1,-0.4 2,-0.3 0.605 72.3 -11.1-104.6 -25.5 7.1 21.0 7.5 42 42 A A E -IH 373 70C 0 28,-1.4 28,-2.2 331,-0.2 -1,-0.4 -0.873 54.7-168.0-177.7 144.4 8.3 18.7 10.2 43 43 A T E -IH 372 69C 0 329,-2.5 329,-3.1 -2,-0.3 26,-0.3 -0.999 17.7-136.8-141.6 133.6 7.2 16.2 12.8 44 44 A G E -IH 371 68C 0 24,-3.3 2,-0.7 -2,-0.3 24,-0.5 -0.512 19.7-121.6 -87.6 158.3 9.0 14.6 15.7 45 45 A I - 0 0 3 325,-1.9 325,-0.5 -2,-0.2 2,-0.2 -0.916 33.0-172.9-106.0 113.0 8.7 10.9 16.7 46 46 A C >> - 0 0 14 -2,-0.7 3,-1.4 323,-0.1 4,-0.8 -0.764 36.5-113.0-110.4 150.8 7.6 10.4 20.3 47 47 A R H >> S+ 0 0 133 -2,-0.2 4,-1.3 1,-0.2 3,-0.9 0.847 113.9 61.3 -44.8 -41.8 7.3 7.1 22.5 48 48 A S H 3> S+ 0 0 43 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.798 97.2 55.7 -61.1 -30.5 3.4 7.5 22.5 49 49 A D H <> S+ 0 0 0 -3,-1.4 4,-0.8 1,-0.2 -1,-0.3 0.831 107.5 51.3 -68.8 -30.1 3.1 7.2 18.7 50 50 A D H X>S+ 0 0 38 -4,-1.3 4,-1.9 1,-0.2 5,-1.2 0.962 100.1 55.9 -58.8 -49.0 2.4 2.7 21.8 52 52 A V H 3<5S+ 0 0 3 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.855 105.1 52.9 -44.9 -45.6 -0.3 3.0 19.2 53 53 A V H 3<5S+ 0 0 7 -4,-0.8 -35,-3.6 1,-0.2 -1,-0.3 0.832 110.1 47.0 -61.7 -38.2 1.8 0.6 17.1 54 54 A S H <<5S- 0 0 42 -4,-1.5 -1,-0.2 -3,-0.8 -2,-0.2 0.700 110.1-119.2 -80.2 -23.5 2.0 -1.9 19.9 55 55 A G T <5S+ 0 0 22 -4,-1.9 -3,-0.2 2,-0.3 -2,-0.1 0.412 88.3 112.7 95.3 -0.6 -1.7 -1.8 20.7 56 56 A T S - 0 0 13 -42,-2.6 3,-1.1 -2,-0.4 -44,-0.2 -0.020 47.8 -52.8 -80.0-174.7 -12.7 26.6 7.0 78 78 A E T 3 S+ 0 0 156 -47,-0.3 -44,-3.6 1,-0.2 -43,-0.2 -0.280 119.0 15.4 -63.8 145.9 -15.7 28.7 7.9 79 79 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.2 -46,-0.2 2,-0.2 0.445 84.7 144.5 72.4 4.1 -15.7 30.7 11.2 80 80 A V < + 0 0 17 -3,-1.1 -1,-0.2 1,-0.1 -4,-0.1 -0.520 9.0 153.6 -75.9 140.9 -11.9 30.5 11.7 81 81 A T + 0 0 122 -2,-0.2 -1,-0.1 3,-0.0 3,-0.1 0.473 57.6 67.4-143.3 -14.6 -10.3 33.6 13.3 82 82 A T S S+ 0 0 53 1,-0.1 2,-0.3 75,-0.0 77,-0.1 0.720 105.3 36.7 -89.0 -23.2 -7.1 32.6 15.2 83 83 A V - 0 0 2 75,-0.0 -1,-0.1 76,-0.0 6,-0.0 -0.949 61.0-164.1-132.3 151.5 -5.1 31.6 12.1 84 84 A R > - 0 0 166 -2,-0.3 3,-2.2 -3,-0.1 -11,-0.3 -0.939 44.0 -84.8-128.0 148.0 -4.8 32.8 8.5 85 85 A P T 3 S+ 0 0 59 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.290 118.1 37.0 -56.5 143.6 -3.3 30.9 5.6 86 86 A G T 3 S+ 0 0 55 -13,-3.0 2,-0.1 1,-0.3 -12,-0.1 0.086 89.1 131.6 100.0 -18.2 0.5 31.3 5.5 87 87 A D < - 0 0 31 -3,-2.2 -14,-2.7 -15,-0.1 -1,-0.3 -0.402 60.5-122.7 -68.9 136.3 0.6 31.2 9.3 88 88 A K E +J 72 0C 46 72,-0.4 72,-2.2 -16,-0.2 2,-0.3 -0.593 44.0 174.3 -74.5 140.2 3.2 29.0 11.1 89 89 A V E -JK 71 159C 0 -18,-3.1 -18,-2.8 -2,-0.3 70,-0.2 -0.931 33.2-143.6-145.9 169.6 1.4 26.7 13.5 90 90 A I E - K 0 158C 0 68,-1.7 68,-1.6 -2,-0.3 -20,-0.2 -0.977 27.6-126.8-136.5 116.2 1.7 23.8 15.9 91 91 A P E - K 0 157C 0 0, 0.0 2,-0.6 0, 0.0 -22,-0.4 -0.452 24.1-138.0 -63.6 140.0 -1.1 21.2 16.1 92 92 A L - 0 0 4 64,-3.5 -24,-0.1 50,-0.2 4,-0.1 -0.899 19.3-171.1-108.5 111.9 -2.2 20.7 19.7 93 93 A F S S+ 0 0 31 -2,-0.6 22,-0.4 80,-0.4 -1,-0.1 0.740 89.8 53.4 -71.9 -21.2 -2.9 17.1 21.0 94 94 A T S S- 0 0 3 20,-0.1 -1,-0.2 -3,-0.1 230,-0.2 -0.926 92.6-149.8-113.9 102.4 -4.4 18.7 24.1 95 95 A P - 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