==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-AUG-02 1MGO . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE E CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR J.K.RUBACH,B.V.PLAPP . 748 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28396.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 508 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 13.6 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 50 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 18.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 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 6 0 0 2 4 2 4 0 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 2 6 4 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 . 4 4 8 0 2 0 2 2 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 2 0 2 0 2 0 0 0 0 1 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 0 139 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-130.2 -5.2 -2.4 -52.8 2 2 A T > + 0 0 51 72,-0.1 3,-1.9 5,-0.0 73,-0.1 0.531 360.0 114.7-108.6 -17.7 -3.3 -3.8 -49.8 3 3 A A T 3 S+ 0 0 59 1,-0.3 3,-0.1 71,-0.1 72,-0.1 -0.288 85.5 11.7 -57.5 132.4 -6.4 -5.3 -47.9 4 4 A G T 3 S+ 0 0 64 1,-0.3 2,-0.3 27,-0.1 -1,-0.3 0.370 112.3 100.8 87.6 -6.4 -6.3 -9.1 -47.6 5 5 A K S < S- 0 0 116 -3,-1.9 -1,-0.3 24,-0.1 2,-0.2 -0.795 80.7-101.7-112.7 152.2 -2.7 -9.2 -48.8 6 6 A V - 0 0 88 -2,-0.3 2,-0.5 23,-0.1 23,-0.2 -0.490 38.0-142.9 -65.3 134.8 0.7 -9.5 -47.1 7 7 A I E -A 28 0A 13 21,-2.6 21,-2.8 -2,-0.2 2,-0.5 -0.928 6.2-154.0-106.2 129.5 2.4 -6.2 -46.8 8 8 A K E +A 27 0A 142 -2,-0.5 2,-0.3 19,-0.2 19,-0.2 -0.879 37.8 144.0 -94.7 122.3 6.2 -5.8 -47.2 9 9 A C E -A 26 0A 8 17,-2.2 17,-2.7 -2,-0.5 2,-0.3 -0.922 50.0 -81.5-148.6 178.8 7.3 -2.8 -45.2 10 10 A K E +A 25 0A 70 -2,-0.3 138,-3.0 15,-0.2 139,-0.4 -0.666 47.5 162.1 -89.1 140.5 10.0 -1.3 -43.1 11 11 A A E -AB 24 147A 0 13,-2.1 13,-2.4 -2,-0.3 2,-0.7 -0.954 41.0-115.1-148.8 165.7 10.3 -2.1 -39.3 12 12 A A E -A 23 0A 0 134,-2.9 53,-0.5 -2,-0.3 2,-0.4 -0.925 36.0-165.6-106.7 107.1 12.9 -1.9 -36.5 13 13 A V E -A 22 0A 0 9,-2.8 9,-3.1 -2,-0.7 2,-0.8 -0.788 14.2-152.0 -99.5 134.7 13.7 -5.5 -35.4 14 14 A L B +E 63 0B 0 49,-2.6 49,-1.9 -2,-0.4 7,-0.1 -0.908 17.8 175.9-102.8 104.1 15.5 -6.2 -32.1 15 15 A W + 0 0 55 -2,-0.8 2,-0.3 5,-0.3 -1,-0.1 0.814 64.9 3.4 -78.4 -34.2 17.3 -9.5 -32.8 16 16 A E S > S- 0 0 111 4,-0.2 3,-0.6 3,-0.1 -1,-0.2 -0.977 85.4 -85.5-146.4 161.8 19.1 -9.7 -29.4 17 17 A E T 3 S+ 0 0 101 -2,-0.3 37,-0.2 1,-0.2 36,-0.1 -0.245 105.7 18.8 -65.0 151.5 19.4 -7.9 -26.1 18 18 A K T 3 S+ 0 0 139 35,-3.1 -1,-0.2 1,-0.2 36,-0.1 0.844 99.0 109.4 59.6 37.5 21.8 -5.0 -25.8 19 19 A K S < S- 0 0 110 -3,-0.6 -1,-0.2 34,-0.1 3,-0.1 -0.972 74.9 -94.5-133.2 155.2 22.2 -4.4 -29.6 20 20 A P - 0 0 92 0, 0.0 -5,-0.3 0, 0.0 -4,-0.2 -0.235 50.9 -93.9 -58.1 155.8 21.0 -1.5 -31.8 21 21 A F - 0 0 7 -7,-0.1 2,-0.6 -6,-0.1 -7,-0.2 -0.516 35.3-133.1 -66.6 142.3 17.7 -2.0 -33.6 22 22 A S E -A 13 0A 38 -9,-3.1 -9,-2.8 -2,-0.2 2,-0.5 -0.877 13.0-149.8 -99.3 119.3 18.0 -3.3 -37.2 23 23 A I E +A 12 0A 55 -2,-0.6 2,-0.3 -11,-0.2 -11,-0.2 -0.739 42.1 124.7 -87.6 121.2 15.9 -1.4 -39.7 24 24 A E E -A 11 0A 34 -13,-2.4 -13,-2.1 -2,-0.5 2,-0.3 -0.970 60.3 -63.7-162.3-178.4 14.8 -3.7 -42.5 25 25 A E E +A 10 0A 107 -2,-0.3 108,-0.3 -15,-0.2 2,-0.3 -0.559 46.9 175.8 -80.3 134.8 12.0 -5.2 -44.6 26 26 A V E -A 9 0A 0 -17,-2.7 -17,-2.2 -2,-0.3 2,-0.5 -0.865 27.9-123.6-127.8 160.7 9.4 -7.4 -42.8 27 27 A E E -AC 8 131A 42 104,-2.3 104,-2.1 -2,-0.3 2,-0.6 -0.954 20.0-158.8-107.9 135.3 6.2 -9.1 -44.0 28 28 A V E -AC 7 130A 0 -21,-2.8 -21,-2.6 -2,-0.5 102,-0.2 -0.953 13.6-138.7-117.7 113.9 3.0 -8.2 -42.2 29 29 A A - 0 0 30 100,-2.9 -23,-0.1 -2,-0.6 -24,-0.1 -0.267 28.9 -97.6 -65.9 155.8 0.2 -10.7 -42.6 30 30 A P - 0 0 36 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.325 52.1 -86.3 -69.6 157.7 -3.3 -9.5 -43.1 31 31 A P - 0 0 21 0, 0.0 47,-0.2 0, 0.0 3,-0.1 -0.480 38.6-148.9 -71.0 138.2 -5.6 -9.4 -40.0 32 32 A K > - 0 0 103 1,-0.3 3,-1.7 -2,-0.2 45,-0.3 -0.132 54.2 -39.3 -85.5-170.5 -7.5 -12.5 -38.9 33 33 A A T 3 S+ 0 0 55 1,-0.3 -1,-0.3 44,-0.2 46,-0.2 -0.241 132.5 7.2 -57.7 135.5 -10.9 -12.4 -37.1 34 34 A H T 3 S+ 0 0 102 44,-2.7 120,-2.5 1,-0.2 2,-0.3 0.724 106.0 118.7 64.2 29.6 -11.1 -9.5 -34.5 35 35 A E E < -G 153 0C 4 -3,-1.7 42,-2.8 118,-0.2 2,-0.4 -0.828 48.8-152.3-125.9 156.3 -7.7 -8.1 -35.6 36 36 A V E -GH 152 76C 0 116,-2.7 116,-2.7 -2,-0.3 2,-0.5 -0.999 5.5-148.5-132.2 128.9 -6.8 -4.7 -37.0 37 37 A R E -GH 151 75C 0 38,-2.5 37,-2.6 -2,-0.4 38,-1.6 -0.890 22.2-164.4-101.8 128.8 -3.9 -3.7 -39.3 38 38 A I E -GH 150 73C 0 112,-2.7 112,-2.0 -2,-0.5 2,-0.7 -0.942 20.8-141.5-120.6 131.5 -2.6 -0.2 -38.7 39 39 A K E -GH 149 72C 110 33,-3.0 33,-2.8 -2,-0.4 110,-0.2 -0.837 35.8-129.6 -85.2 114.7 -0.4 2.1 -40.8 40 40 A M E + H 0 71C 3 108,-2.2 31,-0.3 -2,-0.7 3,-0.1 -0.417 32.8 173.5 -70.8 145.7 1.7 3.9 -38.2 41 41 A V E - 0 0 36 29,-2.4 333,-1.8 1,-0.4 2,-0.3 0.729 67.5 -1.5-116.1 -41.7 2.1 7.7 -38.3 42 42 A A E -IH 373 70C 0 28,-1.9 28,-2.4 331,-0.2 -1,-0.4 -0.996 55.8-173.9-152.4 145.5 4.0 8.4 -35.1 43 43 A T E -IH 372 69C 0 329,-2.0 329,-3.3 -2,-0.3 26,-0.3 -0.989 16.6-137.9-142.6 138.8 5.6 6.6 -32.1 44 44 A G E -IH 371 68C 0 24,-2.1 2,-0.8 -2,-0.3 24,-0.5 -0.524 19.1-121.5 -89.8 152.0 7.2 7.7 -29.0 45 45 A I - 0 0 3 325,-1.8 325,-0.4 -2,-0.2 2,-0.3 -0.875 34.8-172.0 -93.2 105.8 10.4 6.3 -27.4 46 46 A C >> - 0 0 5 -2,-0.8 4,-1.4 1,-0.1 3,-1.2 -0.715 34.5-120.0 -96.9 145.8 9.4 5.2 -23.8 47 47 A R H 3> S+ 0 0 98 -2,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.855 112.8 65.1 -54.3 -33.6 11.9 4.0 -21.2 48 48 A S H 3> S+ 0 0 29 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.853 96.7 54.9 -61.4 -28.3 10.1 0.7 -21.1 49 49 A D H X> S+ 0 0 0 -3,-1.2 4,-1.4 1,-0.2 3,-0.6 0.918 107.6 50.3 -68.4 -38.2 11.1 0.1 -24.8 50 50 A D H 3X S+ 0 0 12 -4,-1.4 4,-2.7 1,-0.2 6,-0.2 0.849 100.2 63.8 -66.9 -31.4 14.7 0.6 -23.6 51 51 A H H 3X>S+ 0 0 19 -4,-1.9 6,-2.0 1,-0.2 4,-1.0 0.826 100.3 53.9 -57.4 -34.7 14.1 -1.9 -20.8 52 52 A V H <<5S+ 0 0 5 -4,-1.0 3,-0.5 -3,-0.6 -1,-0.2 0.930 111.3 44.4 -67.1 -44.8 13.5 -4.6 -23.5 53 53 A V H <5S+ 0 0 7 -4,-1.4 -35,-3.1 1,-0.2 -2,-0.2 0.919 117.1 45.3 -62.8 -41.9 16.9 -3.7 -25.1 54 54 A S H <5S- 0 0 39 -4,-2.7 -1,-0.2 -37,-0.2 -2,-0.2 0.605 109.8-118.3 -78.6 -13.4 18.7 -3.6 -21.7 55 55 A G T <5S+ 0 0 23 -4,-1.0 242,-0.3 -3,-0.5 -3,-0.2 0.436 83.0 119.8 83.1 -1.4 17.1 -6.8 -20.3 56 56 A T S - 0 0 10 -42,-2.8 3,-1.4 -2,-0.4 -44,-0.2 -0.250 49.4 -64.9 -82.4 171.7 -10.5 -8.6 -40.0 78 78 A E T 3 S+ 0 0 166 1,-0.2 -44,-2.7 -47,-0.2 -1,-0.2 -0.342 118.9 21.8 -56.0 136.4 -13.9 -10.3 -39.8 79 79 A G T 3 S+ 0 0 39 1,-0.3 2,-0.3 -46,-0.2 -1,-0.2 0.328 81.1 140.3 92.4 -5.0 -16.0 -9.4 -36.8 80 80 A V < + 0 0 16 -3,-1.4 -1,-0.3 -45,-0.1 -4,-0.1 -0.552 13.8 161.8 -77.4 132.0 -14.3 -6.0 -35.9 81 81 A T + 0 0 125 -2,-0.3 -1,-0.1 -3,-0.1 3,-0.1 0.410 59.3 64.0-128.7 -11.0 -16.9 -3.4 -34.8 82 82 A T S S+ 0 0 56 1,-0.1 2,-0.3 75,-0.0 77,-0.2 0.585 105.9 27.9-105.0 -10.3 -15.1 -0.7 -33.0 83 83 A V - 0 0 1 75,-0.1 -1,-0.1 76,-0.0 6,-0.0 -0.972 62.5-161.7-143.7 159.1 -12.8 0.7 -35.8 84 84 A R > - 0 0 183 -2,-0.3 3,-2.1 -3,-0.1 -11,-0.3 -0.955 42.7 -72.9-136.1 158.4 -13.0 0.9 -39.6 85 85 A P T 3 S+ 0 0 77 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.206 120.1 29.0 -50.3 132.9 -10.4 1.5 -42.4 86 86 A G T 3 S+ 0 0 52 -13,-2.7 2,-0.1 1,-0.3 -12,-0.1 0.173 89.3 131.8 97.4 -14.7 -9.3 5.2 -42.4 87 87 A D < - 0 0 32 -3,-2.1 -14,-2.5 -15,-0.1 2,-0.3 -0.418 59.6-122.6 -72.1 141.7 -9.9 5.7 -38.6 88 88 A K E +J 72 0C 48 72,-0.5 72,-2.4 -16,-0.2 2,-0.3 -0.693 43.1 178.1 -76.5 137.3 -7.2 7.3 -36.4 89 89 A V E -JK 71 159C 0 -18,-2.4 -18,-2.4 -2,-0.3 70,-0.2 -0.979 31.9-146.4-143.4 155.1 -6.3 5.0 -33.6 90 90 A I E - K 0 158C 0 68,-2.2 68,-2.0 -2,-0.3 -20,-0.2 -0.989 27.3-130.0-118.2 125.1 -4.0 4.5 -30.6 91 91 A P E - K 0 157C 0 0, 0.0 2,-0.6 0, 0.0 -22,-0.3 -0.380 20.6-134.8 -69.8 151.3 -2.8 0.9 -29.8 92 92 A L - 0 0 5 64,-2.8 -24,-0.1 50,-0.2 82,-0.1 -0.901 16.1-167.9-116.5 107.3 -3.4 -0.1 -26.2 93 93 A A S S+ 0 0 17 -2,-0.6 22,-0.4 80,-0.5 -1,-0.1 0.734 92.4 47.3 -69.1 -22.2 -0.4 -1.8 -24.4 94 94 A T S S- 0 0 11 20,-0.1 -1,-0.2 -3,-0.1 230,-0.1 -0.991 95.6-146.8-111.2 115.6 -2.9 -2.7 -21.7 95 95 A P - 0 0 5 0, 0.0 16,-0.6 0, 0.0 229,-0.4 -0.147 8.9-142.8 -76.0 173.5 -5.9 -4.1 -23.4 96 96 A Q + 0 0 24 59,-2.0 61,-0.1 227,-0.1 14,-0.0 -0.741 21.5 172.1-135.2 94.8 -9.6 -3.7 -22.3 97 97 A C - 0 0 22 -2,-0.3 -1,-0.1 1,-0.1 59,-0.1 0.768 31.3-145.2 -73.5 -27.9 -11.4 -6.9 -23.1 98 98 A G S S+ 0 0 43 1,-0.1 -1,-0.1 57,-0.1 -2,-0.0 0.379 82.1 72.7 79.5 -2.3 -14.6 -5.7 -21.2 99 99 A K S S+ 0 0 172 5,-0.0 -1,-0.1 4,-0.0 -3,-0.0 0.602 70.5 89.1-117.8 -24.0 -15.3 -9.3 -20.0 100 100 A C S > S- 0 0 22 1,-0.1 4,-1.8 5,-0.0 5,-0.2 -0.263 87.6-103.5 -82.4 169.6 -12.8 -10.3 -17.3 101 101 A R H > S+ 0 0 91 1,-0.2 4,-0.7 2,-0.2 7,-0.2 0.841 121.5 51.1 -64.8 -28.3 -13.2 -9.7 -13.6 102 102 A V H >4 S+ 0 0 0 2,-0.2 3,-0.9 1,-0.2 6,-0.3 0.931 107.9 50.2 -73.9 -49.8 -10.8 -6.8 -13.7 103 103 A C H 34 S+ 0 0 15 1,-0.2 -1,-0.2 7,-0.1 -2,-0.2 0.843 112.6 49.4 -52.9 -34.4 -12.5 -5.0 -16.6 104 104 A K H 3< S+ 0 0 158 -4,-1.8 -1,-0.2 3,-0.0 -2,-0.2 0.624 91.8 94.8 -81.9 -13.1 -15.8 -5.4 -14.8 105 105 A H S << S- 0 0 43 -3,-0.9 3,-0.3 -4,-0.7 -5,-0.0 -0.587 78.0-131.7 -82.6 139.5 -14.4 -3.9 -11.5 106 106 A P S S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.820 105.1 30.2 -60.2 -33.0 -15.0 -0.2 -11.0 107 107 A E S S+ 0 0 107 554,-0.0 2,-0.3 215,-0.0 -4,-0.1 0.451 97.7 100.2-104.8 -9.4 -11.3 0.4 -10.0 108 108 A G + 0 0 1 -3,-0.3 553,-0.1 -6,-0.3 578,-0.1 -0.593 26.3 156.2 -82.7 142.9 -9.4 -2.3 -12.0 109 109 A N + 0 0 10 576,-0.3 2,-1.9 -2,-0.3 215,-0.3 0.421 47.1 98.6-132.0 -12.9 -7.6 -1.6 -15.3 110 110 A F - 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