==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-OCT-05 2B83 . COMPND 2 MOLECULE: NADP-DEPENDENT ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BEIJERINCKII; . AUTHOR E.GOIHBERG,O.DYM,ISRAEL STRUCTURAL PROTEOMICS CENTER (ISPC) . 1404 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45837.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1029 73.3 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 . 172 12.3 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 0.1 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 121 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 167 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 296 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 43 3.1 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 8 3 0 1 7 7 5 9 2 2 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 . 10 12 5 4 3 2 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 27 0, 0.0 16,-2.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 167.0 36.9 -9.2 52.5 2 2 A K E +A 16 0A 108 14,-0.2 120,-2.0 12,-0.0 121,-0.3 -0.702 360.0 174.1-100.7 154.0 36.7 -5.4 52.1 3 3 A G E -AB 15 121A 0 12,-1.6 12,-2.5 -2,-0.3 2,-0.8 -0.959 33.8-124.2-159.6 139.4 33.8 -3.5 50.6 4 4 A F E +A 14 0A 0 116,-2.6 53,-2.4 -2,-0.3 2,-0.2 -0.788 50.5 173.5 -87.8 111.6 32.9 0.2 50.1 5 5 A A E -AC 13 56A 0 8,-2.2 8,-1.7 -2,-0.8 2,-0.9 -0.730 44.3-104.6-125.2 169.4 29.5 0.5 51.8 6 6 A M E -AC 12 55A 0 49,-3.3 49,-1.6 -2,-0.2 48,-0.8 -0.798 28.5-172.8 -87.5 103.6 26.7 2.8 52.9 7 7 A L E - 0 0 62 4,-1.6 47,-0.3 -2,-0.9 2,-0.3 0.905 66.6 -49.4 -64.3 -39.5 27.2 2.9 56.6 8 8 A G E > S-A 11 0A 0 3,-1.4 3,-2.1 45,-0.2 -1,-0.3 -0.947 92.7 -28.5-175.7-176.1 23.9 4.8 56.8 9 9 A I T 3 S- 0 0 67 1,-0.3 36,-0.2 -2,-0.3 35,-0.1 -0.287 132.2 -0.5 -54.5 128.9 22.1 7.8 55.3 10 10 A N T 3 S+ 0 0 104 34,-1.6 2,-0.4 1,-0.1 -1,-0.3 0.800 113.9 110.3 60.4 30.2 24.6 10.3 54.1 11 11 A K E < +A 8 0A 131 -3,-2.1 -4,-1.6 33,-0.1 -3,-1.4 -0.942 40.3 175.5-144.0 120.2 27.5 8.1 55.3 12 12 A L E +A 6 0A 35 -2,-0.4 2,-0.2 -6,-0.2 -6,-0.2 -0.837 13.1 137.5-119.5 156.5 30.1 6.1 53.4 13 13 A G E -A 5 0A 14 -8,-1.7 -8,-2.2 -2,-0.3 2,-0.2 -0.853 49.9 -89.2 171.2 152.2 33.1 4.0 54.4 14 14 A W E -A 4 0A 88 -2,-0.2 2,-0.3 -10,-0.2 -10,-0.2 -0.521 45.8-175.2 -75.5 141.4 35.1 0.9 53.8 15 15 A I E -A 3 0A 26 -12,-2.5 -12,-1.6 -2,-0.2 2,-0.5 -0.913 26.0-119.6-136.2 162.9 34.0 -2.1 55.9 16 16 A E E +A 2 0A 114 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.893 39.6 167.0-104.9 128.7 35.1 -5.7 56.6 17 17 A K - 0 0 63 -16,-2.8 2,-0.3 -2,-0.5 -2,-0.0 -0.923 40.8 -93.4-138.0 164.3 32.6 -8.5 55.7 18 18 A E - 0 0 186 -2,-0.3 3,-0.1 1,-0.1 -16,-0.0 -0.601 49.8-105.2 -79.3 135.0 32.5 -12.2 55.3 19 19 A R - 0 0 97 -2,-0.3 -1,-0.1 1,-0.1 105,-0.1 -0.438 40.8-116.6 -61.4 123.1 33.0 -13.4 51.8 20 20 A P - 0 0 35 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.267 26.9-138.9 -61.8 148.5 29.7 -14.5 50.4 21 21 A V - 0 0 109 -3,-0.1 2,-0.3 104,-0.0 6,-0.1 -0.881 16.0-112.5-113.6 145.8 29.3 -18.1 49.4 22 22 A A - 0 0 16 -2,-0.4 46,-0.1 4,-0.1 6,-0.1 -0.572 21.4-143.9 -81.3 132.1 27.6 -19.5 46.3 23 23 A G > - 0 0 31 -2,-0.3 3,-1.7 46,-0.1 46,-0.2 -0.237 48.5 -77.1 -78.4 178.3 24.4 -21.6 46.6 24 24 A S T 3 S+ 0 0 63 1,-0.3 47,-2.1 45,-0.2 48,-0.5 0.769 133.5 30.9 -49.3 -33.8 23.8 -24.5 44.2 25 25 A Y T 3 S+ 0 0 70 46,-0.2 104,-1.8 45,-0.1 105,-0.4 0.304 106.9 92.0-111.4 10.6 22.9 -22.2 41.3 26 26 A D < - 0 0 28 -3,-1.7 43,-2.5 102,-0.3 2,-0.3 -0.348 55.0-147.5-100.7 178.9 25.0 -19.1 42.1 27 27 A A E -DE 68 126B 0 99,-1.8 99,-2.6 41,-0.2 2,-0.5 -0.996 10.2-140.5-146.3 144.9 28.4 -17.7 41.4 28 28 A I E -DE 67 125B 0 39,-2.8 38,-2.8 -2,-0.3 39,-1.3 -0.941 28.6-169.9-106.7 127.3 30.9 -15.6 43.3 29 29 A V E -DE 65 124B 0 95,-2.5 95,-2.2 -2,-0.5 36,-0.2 -0.914 18.2-145.2-121.4 144.5 32.5 -13.0 41.0 30 30 A R E -D 64 0B 91 34,-2.8 34,-2.9 -2,-0.4 93,-0.2 -0.933 33.3-113.1-107.7 130.1 35.5 -10.7 41.6 31 31 A P E +D 63 0B 3 0, 0.0 32,-0.3 0, 0.0 3,-0.1 -0.342 30.9 178.5 -63.8 137.6 35.1 -7.3 39.8 32 32 A L E S+ 0 0 25 30,-3.5 319,-1.3 1,-0.4 2,-0.3 0.617 79.0 1.4-105.6 -28.5 37.5 -6.4 37.0 33 33 A A E +DF 62 350B 0 29,-2.0 29,-2.1 317,-0.2 -1,-0.4 -0.929 68.9 179.8-162.6 135.9 35.9 -3.0 36.4 34 34 A V E -DF 61 349B 2 315,-2.3 315,-3.1 -2,-0.3 27,-0.2 -0.849 11.9-151.5-134.7 169.5 33.1 -1.1 38.0 35 35 A S - 0 0 0 25,-1.5 24,-0.5 -2,-0.3 25,-0.3 -0.982 17.0-128.6-147.8 131.5 31.3 2.2 37.8 36 36 A P - 0 0 2 0, 0.0 311,-0.4 0, 0.0 2,-0.3 -0.450 29.3-153.1 -76.0 153.3 29.5 4.4 40.3 37 37 A C >> - 0 0 2 -2,-0.1 4,-1.2 1,-0.1 3,-0.9 -0.881 30.5-117.4-128.8 159.6 25.9 5.6 39.5 38 38 A T H 3> S+ 0 0 51 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.814 116.0 65.5 -60.9 -28.0 23.6 8.4 40.3 39 39 A S H 3> S+ 0 0 15 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.874 95.9 54.6 -61.4 -38.0 21.4 5.7 41.9 40 40 A D H <> S+ 0 0 0 -3,-0.9 4,-2.4 1,-0.2 5,-0.2 0.904 110.0 47.9 -61.3 -40.8 24.1 5.2 44.4 41 41 A I H X>S+ 0 0 16 -4,-1.2 4,-1.4 2,-0.2 5,-0.7 0.899 112.2 47.0 -67.7 -43.8 23.9 8.9 45.2 42 42 A H H X>S+ 0 0 27 -4,-2.5 4,-1.9 3,-0.2 6,-1.0 0.973 115.4 46.8 -61.1 -53.0 20.1 9.0 45.5 43 43 A T H <5S+ 0 0 1 -4,-2.7 4,-0.4 4,-0.2 6,-0.3 0.887 121.8 34.8 -55.8 -46.9 20.1 5.8 47.7 44 44 A V H <5S+ 0 0 0 -4,-2.4 -34,-1.6 -5,-0.2 -3,-0.2 0.994 130.1 26.4 -73.2 -69.5 22.9 7.0 50.0 45 45 A F H <5S+ 0 0 43 -4,-1.4 -3,-0.2 -5,-0.2 -2,-0.2 0.648 135.9 30.6 -73.1 -18.1 22.5 10.8 50.4 46 46 A E T < < + 0 0 15 -5,-0.9 3,-1.8 -4,-0.4 -4,-0.2 0.896 35.8 167.8 55.8 41.3 17.6 7.5 51.0 48 48 A A T 3 S+ 0 0 4 -6,-1.0 -5,-0.1 1,-0.3 -1,-0.1 0.585 76.2 36.0 -63.1 -10.6 15.3 7.2 48.1 49 49 A L T 3 S- 0 0 37 1,-0.5 -1,-0.3 -6,-0.3 -2,-0.1 0.047 125.0 -85.3-131.3 26.2 14.7 3.6 48.9 50 50 A G < - 0 0 36 -3,-1.8 -1,-0.5 -4,-0.1 2,-0.1 -0.221 63.1 -45.3 95.4 172.3 14.8 3.6 52.7 51 51 A D - 0 0 89 -3,-0.1 2,-0.3 -2,-0.1 -7,-0.1 -0.375 53.2-169.0 -77.7 156.1 17.6 3.5 55.3 52 52 A R - 0 0 53 -8,-0.1 2,-0.4 -2,-0.1 -43,-0.1 -0.993 12.7-152.4-146.4 150.8 20.5 1.0 55.1 53 53 A K S S- 0 0 135 -2,-0.3 -46,-0.2 1,-0.1 -45,-0.2 -0.975 75.7 -17.8-132.0 119.6 23.3 -0.2 57.4 54 54 A N S S+ 0 0 80 -48,-0.8 2,-0.6 -2,-0.4 -47,-0.2 0.860 82.0 157.9 57.8 42.7 26.6 -1.6 56.1 55 55 A M E -C 6 0A 11 -49,-1.6 -49,-3.3 62,-0.1 -1,-0.2 -0.867 41.7-127.4 -99.5 123.2 25.4 -2.3 52.6 56 56 A I E -C 5 0A 1 -2,-0.6 62,-2.8 -51,-0.3 57,-0.4 -0.488 31.3-136.6 -68.4 134.7 28.2 -2.5 50.0 57 57 A L + 0 0 0 -53,-2.4 63,-2.6 63,-0.2 -53,-0.2 -0.216 51.9 71.1 -88.2 177.1 27.4 -0.1 47.0 58 58 A G - 0 0 0 60,-0.2 61,-1.9 61,-0.2 62,-0.2 0.412 30.8-172.1 90.8 135.3 27.7 -0.4 43.3 59 59 A H + 0 0 3 -24,-0.5 2,-0.5 59,-0.2 53,-0.1 0.131 63.0 88.1-145.2 19.9 25.7 -2.4 40.7 60 60 A E + 0 0 0 -25,-0.3 -25,-1.5 25,-0.1 2,-0.3 -0.936 58.1 134.8-125.2 106.9 27.7 -1.8 37.5 61 61 A A E -DG 34 83B 0 22,-0.7 22,-1.9 -2,-0.5 2,-0.4 -0.996 42.7-158.6-156.8 159.4 30.4 -4.3 36.9 62 62 A V E +DG 33 82B 0 -29,-2.1 -30,-3.5 -2,-0.3 -29,-2.0 -0.971 40.9 149.6-128.8 137.8 32.3 -6.7 34.7 63 63 A G E -DG 31 81B 0 18,-2.1 18,-3.2 -2,-0.4 2,-0.5 -0.901 44.3 -86.9-157.6-173.1 34.3 -9.4 36.5 64 64 A E E -DG 30 80B 50 -34,-2.9 -34,-2.8 -2,-0.3 2,-0.3 -0.927 36.4-124.9-111.8 130.7 35.8 -12.8 36.7 65 65 A V E +D 29 0B 0 14,-2.7 13,-3.5 -2,-0.5 -36,-0.2 -0.563 32.4 171.5 -70.3 129.6 33.9 -15.8 38.0 66 66 A V E + 0 0 38 -38,-2.8 2,-0.3 1,-0.4 -37,-0.2 0.524 64.3 13.8-116.4 -12.1 35.9 -17.3 40.9 67 67 A E E -D 28 0B 57 -39,-1.3 -39,-2.8 9,-0.1 -1,-0.4 -0.943 58.8-172.0-165.1 139.4 33.4 -19.9 42.2 68 68 A V E -D 27 0B 39 -2,-0.3 -41,-0.2 -41,-0.2 -43,-0.1 -0.953 29.8-106.7-133.9 153.6 30.2 -21.5 41.0 69 69 A G > - 0 0 10 -43,-2.5 3,-1.6 -2,-0.3 -45,-0.2 -0.275 40.7-100.4 -72.7 166.3 27.6 -23.8 42.7 70 70 A S T 3 S+ 0 0 98 1,-0.3 -45,-0.1 3,-0.0 -46,-0.1 0.732 120.6 51.3 -61.5 -22.7 27.4 -27.5 41.8 71 71 A E T 3 S+ 0 0 82 -47,-2.1 2,-0.4 -48,-0.1 -1,-0.3 0.432 78.8 112.8 -96.5 0.9 24.4 -26.9 39.6 72 72 A V < + 0 0 19 -3,-1.6 -46,-0.1 -48,-0.5 -4,-0.1 -0.617 36.8 171.7 -74.9 126.5 25.9 -24.1 37.5 73 73 A K + 0 0 167 -2,-0.4 -1,-0.1 -48,-0.1 3,-0.0 0.704 64.7 42.2-111.5 -23.9 26.4 -25.4 33.9 74 74 A D S S+ 0 0 86 1,-0.1 2,-0.4 2,-0.0 -2,-0.1 0.482 107.1 55.9-105.5 -4.1 27.4 -22.5 31.5 75 75 A F + 0 0 8 4,-0.0 55,-0.1 60,-0.0 -1,-0.1 -0.979 59.2 177.9-131.2 143.7 29.9 -20.6 33.6 76 76 A K > - 0 0 127 -2,-0.4 3,-2.2 -11,-0.0 -11,-0.3 -0.908 43.6 -70.6-138.8 165.0 33.0 -21.7 35.4 77 77 A P T 3 S+ 0 0 79 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.316 119.3 31.2 -55.6 133.0 35.9 -20.2 37.4 78 78 A G T 3 S+ 0 0 37 -13,-3.5 -12,-0.1 1,-0.4 2,-0.1 0.138 84.6 130.0 103.7 -21.5 38.0 -18.0 35.2 79 79 A D < - 0 0 24 -3,-2.2 -14,-2.7 -14,-0.1 2,-0.5 -0.404 55.0-134.4 -67.5 143.4 35.3 -16.9 32.9 80 80 A R E -G 64 0B 86 -16,-0.2 56,-2.8 56,-0.2 2,-0.3 -0.877 33.3-170.8 -98.9 129.5 35.1 -13.1 32.3 81 81 A V E -GH 63 135B 0 -18,-3.2 -18,-2.1 -2,-0.5 2,-0.6 -0.901 31.5-134.9-130.6 155.5 31.5 -11.9 32.5 82 82 A I E -GH 62 134B 0 52,-3.1 52,-1.1 -2,-0.3 -20,-0.2 -0.912 28.3-153.5 -99.4 122.0 29.2 -8.9 32.0 83 83 A V E -G 61 0B 1 -22,-1.9 -22,-0.7 -2,-0.6 50,-0.1 -0.869 8.2-139.7-104.1 108.5 27.0 -8.6 35.0 84 84 A P - 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