==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-DEC-95 1PED . COMPND 2 MOLECULE: NADP-DEPENDENT ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BEIJERINCKII; . AUTHOR Y.KORKHIN,F.FROLOW . 1404 4 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44378.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1081 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 140 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 184 13.1 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 140 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 171 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 306 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 48 3.4 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 8 0 0 0 11 5 8 8 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 4 12 8 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 . 14 12 4 4 2 4 4 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 . 2 0 4 0 0 4 0 0 0 0 2 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 M 0 0 24 0, 0.0 16,-1.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 163.2 -36.1 -26.3 80.5 2 2 A K E +A 16 0A 80 14,-0.2 120,-2.2 12,-0.1 121,-0.3 -0.595 360.0 165.2 -84.3 147.5 -36.5 -25.6 76.8 3 3 A G E -AB 15 121A 0 12,-1.4 12,-2.5 118,-0.2 2,-0.7 -0.920 39.2-122.0-165.2 136.3 -33.6 -24.3 74.8 4 4 A F E +A 14 0A 0 116,-2.8 53,-2.4 -2,-0.3 10,-0.2 -0.738 50.4 167.5 -82.3 115.2 -32.7 -23.9 71.1 5 5 A A E -AC 13 56A 0 8,-2.6 8,-1.9 -2,-0.7 2,-0.9 -0.746 46.9 -98.5-129.7 172.4 -29.5 -25.8 70.7 6 6 A M E -AC 12 55A 0 49,-2.4 49,-1.0 -2,-0.2 48,-1.0 -0.827 32.0-173.5 -89.4 104.8 -27.0 -27.3 68.2 7 7 A L E - 0 0 40 4,-1.9 47,-0.7 -2,-0.9 2,-0.3 0.941 67.2 -40.2 -64.3 -46.7 -28.1 -30.9 68.0 8 8 A G E > S-A 11 0A 8 3,-1.3 3,-2.7 45,-0.2 -1,-0.3 -0.918 94.8 -39.2-165.0-179.8 -25.0 -31.7 65.9 9 9 A I T 3 S- 0 0 76 1,-0.3 36,-0.2 -2,-0.3 35,-0.1 -0.366 132.5 -0.3 -58.7 121.4 -23.0 -30.2 63.0 10 10 A N T 3 S+ 0 0 93 34,-1.2 2,-0.5 1,-0.2 -1,-0.3 0.537 111.4 111.1 73.2 11.4 -25.6 -28.6 60.7 11 11 A K E < -A 8 0A 118 -3,-2.7 -4,-1.9 33,-0.2 -3,-1.3 -0.953 42.8-179.2-122.9 117.2 -28.5 -29.7 62.9 12 12 A L E +A 6 0A 30 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.833 16.1 136.3-111.9 149.7 -30.6 -27.2 64.9 13 13 A G E -A 5 0A 11 -8,-1.9 -8,-2.6 -2,-0.3 2,-0.3 -0.927 50.9 -92.4 176.5 157.3 -33.4 -27.9 67.2 14 14 A W E -A 4 0A 68 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.626 46.9-179.6 -80.7 140.4 -35.2 -27.3 70.5 15 15 A I E -A 3 0A 28 -12,-2.5 -12,-1.4 -2,-0.3 2,-0.8 -0.838 35.8-112.8-136.1 172.0 -34.3 -29.6 73.4 16 16 A E E +A 2 0A 145 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.837 46.7 169.8-109.4 89.0 -35.0 -30.3 77.0 17 17 A K - 0 0 60 -16,-1.7 2,-0.1 -2,-0.8 38,-0.0 -0.526 39.2 -91.0 -95.1 164.8 -31.8 -29.4 78.8 18 18 A E - 0 0 120 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.366 41.9-107.0 -73.5 155.2 -31.3 -29.1 82.6 19 19 A R - 0 0 100 -2,-0.1 -1,-0.1 1,-0.1 105,-0.1 -0.742 37.6-117.2 -85.7 128.4 -31.9 -25.7 84.3 20 20 A P - 0 0 20 0, 0.0 2,-0.4 0, 0.0 104,-0.1 -0.346 23.3-140.0 -65.4 142.1 -28.6 -24.1 85.4 21 21 A V - 0 0 108 -2,-0.0 2,-0.4 104,-0.0 6,-0.1 -0.826 17.1-120.0-103.7 144.1 -28.0 -23.6 89.1 22 22 A A - 0 0 16 -2,-0.4 46,-0.1 4,-0.1 6,-0.1 -0.691 19.8-143.7 -87.8 132.4 -26.4 -20.4 90.5 23 23 A G > - 0 0 31 -2,-0.4 3,-1.1 46,-0.1 48,-0.1 -0.226 44.6 -81.5 -78.4-179.4 -23.2 -20.7 92.5 24 24 A S T 3 S+ 0 0 61 1,-0.3 47,-2.7 45,-0.2 48,-0.7 0.807 133.6 30.3 -55.4 -33.0 -22.6 -18.3 95.4 25 25 A Y T 3 S+ 0 0 52 46,-0.2 104,-1.7 45,-0.1 105,-0.4 0.360 108.4 91.5-107.9 4.2 -21.4 -15.5 93.1 26 26 A D < - 0 0 32 -3,-1.1 43,-2.6 102,-0.3 2,-0.3 -0.379 56.7-148.6 -98.0 174.2 -23.6 -16.4 90.0 27 27 A A E -DE 68 126B 0 99,-2.2 99,-2.6 41,-0.2 2,-0.6 -0.989 10.6-139.2-142.9 144.7 -27.0 -15.5 88.7 28 28 A I E -DE 67 125B 0 39,-2.4 38,-3.2 -2,-0.3 39,-1.7 -0.948 28.8-165.5-105.0 124.1 -29.6 -17.3 86.7 29 29 A V E -DE 65 124B 0 95,-2.8 95,-2.5 -2,-0.6 36,-0.2 -0.903 16.9-146.6-117.4 143.2 -31.1 -15.0 84.2 30 30 A R E -D 64 0B 77 34,-2.9 34,-2.8 -2,-0.4 93,-0.2 -0.926 33.1-115.9-104.8 125.5 -34.3 -15.3 82.1 31 31 A P E +D 63 0B 0 0, 0.0 32,-0.3 0, 0.0 3,-0.1 -0.358 30.3 179.3 -65.2 139.0 -33.9 -13.7 78.6 32 32 A L E S- 0 0 20 30,-2.9 319,-2.1 1,-0.5 2,-0.3 0.698 78.1 -0.3-103.3 -38.4 -36.1 -10.7 77.7 33 33 A A E -DF 62 350B 0 29,-1.7 29,-2.0 317,-0.3 -1,-0.5 -0.972 69.3-176.1-154.3 136.9 -34.7 -10.2 74.2 34 34 A V E -DF 61 349B 0 315,-2.3 315,-2.9 -2,-0.3 27,-0.2 -0.841 11.0-149.4-130.5 168.1 -32.0 -12.1 72.3 35 35 A S - 0 0 0 25,-1.7 24,-0.5 -2,-0.3 25,-0.4 -0.985 16.9-127.3-145.6 127.7 -30.2 -11.8 69.0 36 36 A P - 0 0 2 0, 0.0 311,-0.3 0, 0.0 2,-0.3 -0.400 30.3-152.7 -68.7 153.7 -28.7 -14.5 66.7 37 37 A C >> - 0 0 4 1,-0.1 4,-1.2 -2,-0.1 3,-0.7 -0.905 28.9-117.4-131.3 158.8 -25.1 -14.0 65.6 38 38 A T H 3> S+ 0 0 69 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.847 115.4 61.6 -59.7 -34.0 -22.8 -15.0 62.8 39 39 A S H 3> S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.867 97.0 57.2 -61.4 -36.2 -20.7 -16.9 65.3 40 40 A D H <> S+ 0 0 0 -3,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.907 108.6 47.3 -61.6 -40.0 -23.7 -19.2 66.0 41 41 A I H X>S+ 0 0 14 -4,-1.2 4,-2.2 1,-0.2 5,-0.7 0.940 110.6 50.9 -66.0 -47.0 -23.8 -20.0 62.3 42 42 A H H X5S+ 0 0 43 -4,-2.4 6,-2.4 1,-0.2 4,-0.8 0.857 110.8 50.1 -59.1 -37.5 -20.1 -20.7 62.2 43 43 A T H X5S+ 0 0 1 -4,-2.4 4,-0.5 4,-0.2 6,-0.4 0.965 121.4 31.6 -66.4 -50.9 -20.4 -23.0 65.2 44 44 A V H <5S+ 0 0 1 -4,-2.3 -34,-1.2 -5,-0.2 3,-0.3 0.987 131.7 26.9 -71.9 -63.5 -23.2 -25.1 63.8 45 45 A F H <5S+ 0 0 44 -4,-2.2 -3,-0.2 -5,-0.2 -1,-0.2 0.571 132.3 35.1 -81.9 -10.9 -22.7 -25.1 60.0 46 46 A E H << + 0 0 24 -4,-0.5 3,-2.2 -3,-0.3 -4,-0.2 0.789 45.9 162.4 47.0 36.2 -18.0 -26.6 63.1 48 48 A A T 3 S+ 0 0 37 -6,-2.4 -5,-0.2 1,-0.3 -1,-0.1 0.739 80.4 32.0 -55.1 -26.5 -16.0 -23.6 64.3 49 49 A L T 3 S- 0 0 20 1,-0.5 -1,-0.3 -6,-0.4 -2,-0.1 0.062 119.2-111.0-119.0 22.2 -16.0 -25.2 67.8 50 50 A G < - 0 0 36 -3,-2.2 2,-1.5 -4,-0.1 -1,-0.5 -0.303 68.6 -24.1 78.9-167.7 -16.0 -28.8 66.7 51 51 A D - 0 0 91 -3,-0.1 2,-0.5 -4,-0.1 -1,-0.1 -0.636 68.6-169.6 -83.4 87.5 -18.9 -31.2 67.1 52 52 A R - 0 0 80 -2,-1.5 2,-0.6 -9,-0.2 3,-0.2 -0.684 13.5-141.9 -78.4 125.3 -20.8 -29.6 70.0 53 53 A K - 0 0 135 -2,-0.5 -46,-0.2 1,-0.2 -45,-0.2 -0.833 67.6 -29.3 -97.5 117.8 -23.5 -31.9 71.3 54 54 A N S S+ 0 0 55 -48,-1.0 2,-0.5 -47,-0.7 -47,-0.2 0.794 84.9 161.7 49.2 41.9 -26.8 -30.4 72.3 55 55 A M E -C 6 0A 14 -49,-1.0 -49,-2.4 -3,-0.2 -1,-0.2 -0.791 41.8-119.6 -93.7 125.1 -25.3 -27.1 73.4 56 56 A I E -C 5 0A 1 -2,-0.5 62,-2.6 -51,-0.3 57,-0.3 -0.420 34.0-135.6 -63.8 136.5 -27.8 -24.2 73.7 57 57 A L + 0 0 0 -53,-2.4 63,-2.9 63,-0.2 56,-0.1 -0.202 51.1 67.0 -89.6 177.4 -26.9 -21.3 71.3 58 58 A G - 0 0 0 60,-0.2 61,-1.5 61,-0.2 62,-0.2 0.391 30.2-170.4 89.1 142.2 -26.7 -17.5 71.6 59 59 A H + 0 0 4 -24,-0.5 2,-0.5 59,-0.2 53,-0.1 0.161 65.4 87.6-147.0 10.1 -24.6 -15.0 73.5 60 60 A E + 0 0 0 -25,-0.4 -25,-1.7 25,-0.1 2,-0.3 -0.954 58.0 120.2-120.0 111.3 -26.4 -11.8 72.9 61 61 A A E -DG 34 83B 0 22,-0.7 22,-1.6 -2,-0.5 2,-0.4 -0.987 44.6-152.1-168.9 154.7 -29.2 -11.0 75.4 62 62 A V E +DG 33 82B 0 -29,-2.0 -30,-2.9 -2,-0.3 -29,-1.7 -0.935 39.8 147.9-124.0 144.4 -30.6 -8.7 78.0 63 63 A G E -DG 31 81B 0 18,-2.4 18,-2.9 -2,-0.4 2,-0.4 -0.813 43.4 -79.9-156.1-161.3 -32.8 -10.3 80.6 64 64 A E E -DG 30 80B 56 -34,-2.8 -34,-2.9 16,-0.3 2,-0.4 -0.972 39.1-117.4-122.6 134.2 -34.1 -10.5 84.2 65 65 A V E +D 29 0B 1 14,-2.9 13,-3.1 -2,-0.4 -36,-0.2 -0.560 36.1 170.1 -69.7 123.3 -32.3 -11.9 87.1 66 66 A V E + 0 0 45 -38,-3.2 2,-0.3 1,-0.4 -37,-0.2 0.801 65.9 18.4-100.1 -47.7 -34.4 -14.8 88.4 67 67 A E E -D 28 0B 67 -39,-1.7 -39,-2.4 9,-0.1 -1,-0.4 -0.933 64.2-168.4-127.9 148.9 -31.9 -16.4 90.9 68 68 A V E -D 27 0B 36 -2,-0.3 -41,-0.2 -41,-0.2 -43,-0.1 -0.994 24.9-114.3-139.0 139.2 -28.9 -14.9 92.6 69 69 A G > - 0 0 8 -43,-2.6 3,-1.7 -2,-0.4 -45,-0.2 -0.325 35.4-102.9 -69.5 159.8 -26.2 -16.7 94.7 70 70 A S T 3 S+ 0 0 100 1,-0.3 -45,-0.1 -2,-0.0 -46,-0.1 0.680 120.8 48.1 -55.9 -21.8 -25.8 -16.0 98.4 71 71 A E T 3 S+ 0 0 71 -47,-2.7 2,-0.6 -48,-0.1 -1,-0.3 0.510 79.5 109.4 -99.4 -7.3 -22.7 -13.8 97.7 72 72 A V < + 0 0 14 -3,-1.7 -47,-0.1 -48,-0.7 -46,-0.1 -0.613 36.5 166.1 -73.5 115.5 -24.2 -11.6 94.9 73 73 A K + 0 0 143 -2,-0.6 -1,-0.2 -48,-0.1 -48,-0.0 0.743 65.6 47.2-102.4 -32.0 -24.6 -8.2 96.5 74 74 A D S S+ 0 0 87 1,-0.1 2,-0.4 2,-0.0 -2,-0.1 0.657 109.3 52.1 -88.4 -15.8 -25.3 -5.7 93.6 75 75 A F + 0 0 6 4,-0.0 55,-0.1 60,-0.0 -1,-0.1 -0.967 60.1 175.4-126.7 139.2 -27.9 -7.7 91.7 76 76 A K > - 0 0 130 -2,-0.4 3,-1.9 1,-0.1 -11,-0.3 -0.893 44.7 -73.1-135.1 160.7 -31.1 -9.3 93.0 77 77 A P T 3 S+ 0 0 74 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.232 117.6 36.8 -54.5 144.2 -34.0 -11.1 91.4 78 78 A G T 3 S+ 0 0 41 -13,-3.1 2,-0.2 1,-0.4 -12,-0.1 0.051 84.2 131.0 98.8 -25.1 -36.3 -8.9 89.3 79 79 A D < - 0 0 24 -3,-1.9 -14,-2.9 -14,-0.1 2,-0.5 -0.424 54.7-138.7 -65.7 128.4 -33.3 -6.7 88.2 80 80 A R E -G 64 0B 98 -16,-0.2 56,-2.8 56,-0.2 2,-0.3 -0.816 32.7-175.0 -88.4 126.2 -33.4 -6.2 84.4 81 81 A V E -GH 63 135B 0 -18,-2.9 -18,-2.4 -2,-0.5 2,-0.5 -0.924 32.7-131.6-131.9 154.2 -29.8 -6.5 83.1 82 82 A I E -GH 62 134B 0 52,-2.9 52,-1.2 -2,-0.3 -20,-0.2 -0.867 28.6-150.7 -96.3 127.5 -27.6 -6.2 80.0 83 83 A V E -G 61 0B 2 -22,-1.6 -22,-0.7 -2,-0.5 50,-0.1 -0.904 7.3-139.9-107.3 109.3 -25.5 -9.3 79.7 84 84 A P - 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