==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-JUL-03 1Q1N . COMPND 2 MOLECULE: HYPOTHETICAL ZINC-TYPE ALCOHOL DEHYDROGENASE- . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR E.VALENCIA,C.LARROY,W.F.OCHOA,X.PARES,I.FITA,J.A.BIOSCA . 360 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15746.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 12.2 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 39 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.8 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 3 0 1 0 1 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 3 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 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 0 121 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-168.1 44.3 32.6 28.8 2 2 A S > - 0 0 72 358,-0.2 4,-1.5 3,-0.1 3,-0.1 0.118 360.0 -76.2 -51.3 170.5 41.6 29.9 28.9 3 3 A Y T >4 S+ 0 0 30 1,-0.2 3,-1.6 2,-0.2 135,-0.1 0.861 114.5 59.0 -35.1 -94.5 40.1 28.5 32.0 4 4 A P T 34 S+ 0 0 57 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.504 118.3 24.4 -4.6 -80.0 42.6 26.1 33.6 5 5 A E T 34 S+ 0 0 107 -3,-0.1 2,-0.4 1,-0.1 -2,-0.2 0.729 124.2 34.2 -75.1 -27.6 45.5 28.5 34.2 6 6 A K << - 0 0 69 -3,-1.6 2,-0.3 -4,-1.5 21,-0.2 -0.987 59.1-153.8-140.1 135.1 43.9 32.0 34.3 7 7 A F E -A 26 0A 5 19,-3.1 19,-3.1 -2,-0.4 2,-0.3 -0.704 12.4-152.5 -99.3 153.0 40.7 33.5 35.6 8 8 A E E +A 25 0A 27 -2,-0.3 129,-2.6 17,-0.2 130,-0.4 -0.927 26.0 139.3-125.6 148.8 39.1 36.6 34.3 9 9 A G E -AB 24 136A 0 15,-1.9 15,-2.9 -2,-0.3 2,-0.9 -0.965 57.4 -81.7-177.0 162.8 36.8 39.1 36.1 10 10 A I E -A 23 0A 2 125,-2.8 56,-0.5 -2,-0.3 2,-0.4 -0.685 60.5-173.7 -78.1 110.5 35.9 42.7 36.6 11 11 A A E -AC 22 65A 0 11,-2.0 11,-2.4 -2,-0.9 54,-0.2 -0.873 29.6-112.9-120.7 147.4 38.4 43.8 39.2 12 12 A I E - C 0 64A 3 52,-2.9 52,-1.3 -2,-0.4 3,-0.1 -0.362 23.2-171.4 -63.2 142.8 39.2 46.8 41.4 13 13 A Q - 0 0 77 1,-0.4 2,-0.3 4,-0.2 -1,-0.1 0.654 69.1 -6.3-110.1 -27.3 42.5 48.5 40.3 14 14 A S > - 0 0 32 3,-0.1 3,-1.3 1,-0.1 -1,-0.4 -0.926 57.0-125.2-167.2 142.3 42.8 51.0 43.2 15 15 A H G > S+ 0 0 16 -2,-0.3 3,-1.6 1,-0.3 4,-0.1 0.849 111.9 68.6 -58.5 -30.4 40.7 52.0 46.2 16 16 A E G 3 S+ 0 0 155 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.821 115.3 22.6 -56.2 -36.8 41.2 55.5 44.7 17 17 A D G X S+ 0 0 70 -3,-1.3 3,-3.1 1,-0.1 -1,-0.3 -0.231 77.5 147.1-125.9 42.1 39.0 54.6 41.7 18 18 A W T < + 0 0 23 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.644 68.4 64.2 -54.9 -14.5 37.0 51.8 43.2 19 19 A K T 3 S+ 0 0 63 1,-0.2 -1,-0.3 -4,-0.1 319,-0.2 0.583 95.8 61.5 -87.4 -7.9 34.1 52.8 41.1 20 20 A N < + 0 0 61 -3,-3.1 -1,-0.2 -6,-0.2 -7,-0.2 -0.670 68.4 177.6-120.8 78.5 35.9 51.9 37.9 21 21 A P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 -9,-0.2 -0.496 15.9-147.8 -77.3 149.3 36.8 48.2 37.8 22 22 A K E -A 11 0A 97 -11,-2.4 -11,-2.0 -2,-0.1 -13,-0.1 -0.964 25.6-101.1-122.8 137.0 38.6 46.9 34.8 23 23 A K E -A 10 0A 90 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.3 -0.279 54.5-174.1 -50.7 131.6 38.2 43.4 33.3 24 24 A T E -A 9 0A 26 -15,-2.9 -15,-1.9 2,-0.0 2,-0.5 -0.971 29.3-137.7-140.4 155.8 41.3 41.5 34.4 25 25 A K E +A 8 0A 107 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.930 34.1 165.7-109.5 127.7 43.2 38.3 34.0 26 26 A Y E -A 7 0A 26 -19,-3.1 -19,-3.1 -2,-0.5 -2,-0.0 -0.977 39.7 -99.7-144.5 155.2 44.7 36.7 37.2 27 27 A D - 0 0 96 -2,-0.3 -21,-0.2 -21,-0.2 -22,-0.1 -0.556 41.8-126.9 -73.6 129.4 46.1 33.4 38.5 28 28 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.082 35.4 -81.5 -69.1 177.0 43.7 31.2 40.5 29 29 A K - 0 0 6 1,-0.1 3,-0.1 111,-0.1 112,-0.0 -0.487 62.3 -85.3 -74.8 147.7 44.3 29.9 44.0 30 30 A P - 0 0 57 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.352 53.4-113.1 -56.7 135.8 46.4 26.7 44.0 31 31 A F - 0 0 64 -3,-0.1 2,-0.3 4,-0.1 6,-0.0 -0.563 36.2-164.0 -76.0 128.8 44.0 23.8 43.5 32 32 A Y > - 0 0 107 -2,-0.3 3,-1.8 -3,-0.1 46,-0.1 -0.813 34.2 -98.6-117.6 156.8 43.6 21.5 46.4 33 33 A D T 3 S+ 0 0 79 -2,-0.3 47,-1.5 1,-0.3 48,-0.4 0.636 122.9 33.7 -42.7 -27.4 42.2 18.0 46.8 34 34 A H T 3 S+ 0 0 59 46,-0.2 109,-2.1 45,-0.1 -1,-0.3 0.552 94.7 112.7-108.0 -10.8 38.8 19.2 48.1 35 35 A D E < -D 142 0B 7 -3,-1.8 43,-1.7 107,-0.3 2,-0.3 -0.035 49.9-156.6 -56.4 164.1 38.6 22.3 46.1 36 36 A I E -DE 141 77B 0 105,-1.3 105,-2.5 41,-0.2 2,-0.5 -0.990 10.0-139.3-145.6 138.8 36.0 22.8 43.3 37 37 A D E -DE 140 76B 0 39,-1.9 38,-2.8 -2,-0.3 39,-0.7 -0.909 21.0-167.5-103.6 125.3 36.0 25.0 40.3 38 38 A I E -DE 139 74B 0 101,-2.8 101,-2.0 -2,-0.5 2,-0.6 -0.961 18.3-139.1-117.2 128.5 32.7 26.7 39.6 39 39 A K E -DE 138 73B 104 34,-3.0 34,-2.6 -2,-0.5 99,-0.3 -0.775 33.0-131.4 -83.6 120.5 31.9 28.5 36.3 40 40 A I E + E 0 72B 7 97,-3.2 32,-0.2 -2,-0.6 3,-0.1 -0.469 39.4 162.6 -79.1 145.2 30.0 31.5 37.4 41 41 A E E + 0 0 62 30,-1.4 312,-0.4 1,-0.4 313,-0.4 0.280 69.4 16.5-139.4 2.7 26.7 32.6 35.9 42 42 A A E - 0 0 0 29,-0.3 29,-2.4 310,-0.2 -1,-0.4 -0.885 53.8-178.4-175.7 143.1 25.3 35.0 38.5 43 43 A C E -FE 351 70B 0 308,-2.0 308,-3.1 -2,-0.3 2,-0.2 -0.891 24.6-131.3-155.1 119.5 26.4 36.9 41.5 44 44 A G E -F 350 0B 0 25,-2.3 2,-0.9 -2,-0.3 24,-0.6 -0.522 26.8-121.8 -72.6 134.3 24.5 39.1 43.9 45 45 A V E -F 349 0B 0 304,-4.7 304,-0.6 -2,-0.2 2,-0.3 -0.681 33.8-157.8 -79.8 108.8 26.0 42.5 44.5 46 46 A C >> - 0 0 2 -2,-0.9 3,-1.9 1,-0.1 4,-1.1 -0.698 25.0-125.6 -93.1 138.7 26.5 42.6 48.3 47 47 A G H 3> S+ 0 0 25 -2,-0.3 4,-2.0 1,-0.3 5,-0.2 0.841 113.9 61.6 -47.1 -36.7 26.8 45.8 50.3 48 48 A S H 3> S+ 0 0 29 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.897 95.0 62.1 -58.4 -38.1 30.1 44.3 51.7 49 49 A D H <> S+ 0 0 0 -3,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.956 105.1 46.9 -51.1 -51.1 31.3 44.4 48.1 50 50 A I H X S+ 0 0 9 -4,-1.1 4,-2.3 1,-0.2 6,-0.2 0.900 111.9 47.7 -59.2 -47.4 30.9 48.1 48.1 51 51 A H H X>S+ 0 0 34 -4,-2.0 5,-2.8 2,-0.2 6,-0.7 0.895 112.9 49.8 -62.8 -40.4 32.6 48.8 51.4 52 52 A C H ><5S+ 0 0 0 -4,-2.8 3,-1.7 3,-0.2 5,-0.3 0.975 111.3 46.8 -61.0 -58.0 35.5 46.5 50.5 53 53 A A H 3<5S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.911 110.5 52.5 -50.2 -49.7 36.2 48.1 47.1 54 54 A A H 3<5S- 0 0 19 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.646 116.6-117.1 -64.1 -13.1 36.0 51.6 48.6 55 55 A G T X<5S+ 0 0 16 -3,-1.7 3,-1.1 -4,-0.6 -3,-0.2 0.669 70.7 141.4 84.1 16.1 38.6 50.5 51.1 56 56 A H T 3 - 0 0 4 -43,-1.7 3,-2.1 -2,-0.4 -45,-0.1 -0.308 33.7 -96.4 -71.5 158.3 39.2 17.8 43.2 79 79 A P T 3 S+ 0 0 107 0, 0.0 -45,-0.1 0, 0.0 -46,-0.1 0.808 119.8 39.9 -37.8 -55.9 40.6 14.4 44.0 80 80 A K T 3 S+ 0 0 127 -47,-1.5 -46,-0.2 -45,-0.0 -47,-0.1 0.253 79.7 143.2 -89.6 14.0 39.2 13.9 47.4 81 81 A S < + 0 0 32 -3,-2.1 -47,-0.1 -48,-0.4 -46,-0.1 -0.176 4.8 149.4 -51.9 146.4 35.7 15.4 46.7 82 82 A N + 0 0 119 -48,-0.1 -1,-0.1 0, 0.0 -48,-0.0 0.243 36.2 108.5-161.5 1.7 33.0 13.5 48.6 83 83 A S S S- 0 0 57 -49,-0.1 -2,-0.1 1,-0.1 -49,-0.0 0.743 93.8-112.5 -60.3 -22.5 30.4 16.2 49.3 84 84 A G + 0 0 60 1,-0.3 2,-0.3 0, 0.0 -1,-0.1 0.661 65.6 149.6 97.1 19.9 28.4 14.4 46.7 85 85 A L - 0 0 18 4,-0.0 -1,-0.3 61,-0.0 2,-0.2 -0.684 32.3-150.9 -88.3 140.6 28.5 17.1 44.0 86 86 A K > - 0 0 151 -2,-0.3 3,-1.0 1,-0.1 -12,-0.2 -0.611 28.1 -92.3-103.1 166.3 28.4 16.1 40.4 87 87 A V T 3 S+ 0 0 100 1,-0.2 -12,-0.2 -2,-0.2 3,-0.1 -0.553 111.0 23.8 -80.1 145.9 29.9 17.9 37.4 88 88 A G T 3 S+ 0 0 49 -14,-3.5 -1,-0.2 1,-0.3 2,-0.1 0.483 93.8 143.9 78.9 2.2 27.8 20.4 35.6 89 89 A Q < - 0 0 62 -3,-1.0 -15,-2.2 -15,-0.1 2,-0.5 -0.443 57.9-109.6 -77.7 148.0 25.7 20.7 38.8 90 90 A R E +G 73 0B 52 -17,-0.2 59,-1.4 -2,-0.1 2,-0.3 -0.656 51.0 167.6 -79.3 120.7 24.1 24.0 39.9 91 91 A V E -GH 72 148B 0 -19,-3.0 -19,-1.3 -2,-0.5 2,-0.3 -0.869 24.7-143.3-135.6 168.0 25.9 25.3 43.0 92 92 A G E -GH 71 147B 0 55,-2.4 55,-2.6 -2,-0.3 2,-0.3 -0.935 6.3-170.4-133.4 154.4 26.3 28.2 45.3 93 93 A V E -G 70 0B 0 -23,-2.2 -23,-1.8 -2,-0.3 53,-0.1 -0.992 10.5-178.2-140.2 140.7 29.0 29.9 47.2 94 94 A G - 0 0 4 2,-0.5 69,-0.2 51,-0.5 -24,-0.2 0.221 54.2 -52.2-111.3-126.8 28.6 32.7 49.8 95 95 A A S S+ 0 0 5 67,-0.6 25,-4.3 24,-0.1 2,-0.4 0.767 112.6 73.4 -91.8 -27.7 31.0 34.7 51.9 96 96 A Q E +J 119 0C 13 23,-0.2 -2,-0.5 1,-0.1 23,-0.2 -0.756 42.9 161.9 -92.6 134.4 32.9 31.8 53.5 97 97 A V E + 0 0 2 21,-1.9 45,-0.9 -2,-0.4 2,-0.3 0.343 64.6 25.4-127.5 -2.1 35.3 30.0 51.3 98 98 A F E +J 118 0C 47 20,-1.0 20,-1.4 43,-0.1 -1,-0.3 -0.987 49.5 156.5-163.3 155.2 37.4 28.2 54.0 99 99 A S - 0 0 0 -2,-0.3 18,-0.1 18,-0.2 45,-0.1 -0.905 48.5-108.6-163.4 175.4 37.4 26.9 57.6 100 100 A C - 0 0 37 -2,-0.3 -1,-0.0 11,-0.1 11,-0.0 0.775 35.1-158.6 -88.2 -28.4 39.4 24.3 59.4 101 101 A L S S+ 0 0 60 1,-0.1 10,-0.0 10,-0.1 -1,-0.0 0.474 75.7 74.7 64.0 4.2 36.5 21.8 59.7 102 102 A E S S+ 0 0 150 4,-0.1 -1,-0.1 5,-0.0 5,-0.0 0.700 70.5 92.3-113.0 -32.4 38.1 20.1 62.7 103 103 A C S > S- 0 0 34 1,-0.1 4,-2.3 4,-0.1 5,-0.2 0.037 88.4-106.2 -57.6 170.7 37.6 22.5 65.6 104 104 A D H > S+ 0 0 135 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.946 120.0 56.1 -63.9 -47.4 34.6 22.3 67.9 105 105 A R H 4>S+ 0 0 141 2,-0.2 5,-2.9 1,-0.2 -1,-0.2 0.763 111.3 43.0 -57.2 -30.1 33.1 25.3 66.3 106 106 A C H >45S+ 0 0 9 3,-0.2 3,-2.6 4,-0.2 5,-0.3 0.952 116.4 44.2 -81.8 -53.5 33.2 23.8 62.9 107 107 A K H 3<5S+ 0 0 155 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.838 114.4 52.9 -56.3 -32.0 32.0 20.3 63.8 108 108 A N T 3<5S- 0 0 119 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.359 125.9-105.2 -85.2 3.8 29.4 22.1 65.9 109 109 A D T < 5S+ 0 0 55 -3,-2.6 -3,-0.2 -5,-0.2 194,-0.2 0.946 87.2 114.4 71.4 54.9 28.3 24.1 62.9 110 110 A N > < + 0 0 29 -5,-2.9 3,-2.5 -6,-0.1 -4,-0.2 -0.162 23.2 148.2-142.0 39.1 29.8 27.6 63.5 111 111 A E G > + 0 0 1 -5,-0.3 3,-1.3 1,-0.3 -5,-0.1 0.665 66.3 66.7 -52.4 -22.2 32.3 27.8 60.7 112 112 A P G 3 S+ 0 0 10 0, 0.0 -1,-0.3 0, 0.0 189,-0.1 0.848 103.8 48.2 -69.6 -26.9 31.8 31.5 60.4 113 113 A Y G < S+ 0 0 70 -3,-2.5 -2,-0.2 -8,-0.2 2,-0.2 0.040 85.3 135.6 -98.8 24.3 33.4 31.8 63.8 114 114 A C X - 0 0 10 -3,-1.3 3,-1.7 1,-0.1 -3,-0.0 -0.462 62.1-127.3 -76.8 145.7 36.4 29.5 63.1 115 115 A T T 3 S+ 0 0 115 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.0 0.929 112.6 38.4 -52.8 -49.5 39.9 30.4 64.2 116 116 A K T 3 S+ 0 0 113 2,-0.0 -1,-0.3 -3,-0.0 10,-0.1 -0.034 86.5 153.5 -96.8 31.6 41.2 29.9 60.7 117 117 A F < - 0 0 50 -3,-1.7 2,-0.4 -5,-0.1 -18,-0.2 -0.214 22.2-168.3 -60.3 147.6 38.2 31.4 58.9 118 118 A V E -J 98 0C 0 -20,-1.4 -21,-1.9 5,-0.0 -20,-1.0 -0.997 13.4-133.1-141.3 134.0 38.7 32.9 55.4 119 119 A T E > -J 96 0C 21 -2,-0.4 4,-0.5 -23,-0.2 -23,-0.2 -0.629 28.3-106.3 -94.4 150.4 36.3 35.0 53.4 120 120 A T T 4 S+ 0 0 3 -25,-4.3 2,-0.3 -2,-0.3 -24,-0.1 0.744 98.8 15.2 -36.6 -42.9 35.5 34.6 49.7 121 121 A Y T 4 S+ 0 0 0 -26,-0.2 11,-0.2 1,-0.1 10,-0.2 -0.987 114.3 26.1-143.1 154.1 37.5 37.7 48.7 122 122 A S T 4 S+ 0 0 17 9,-2.5 -61,-0.2 -2,-0.3 10,-0.1 0.431 91.5 105.4 81.6 1.3 40.2 40.1 50.0 123 123 A Q < - 0 0 53 -4,-0.5 8,-3.0 8,-0.2 2,-0.2 -0.952 66.9-131.0-120.5 129.4 41.7 37.5 52.4 124 124 A P B -K 130 0D 69 0, 0.0 6,-0.3 0, 0.0 5,-0.2 -0.528 26.1-126.6 -75.5 138.9 44.9 35.6 52.0 125 125 A Y > - 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