==== 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 27-DEC-04 1YE3 . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE E CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR B.V.PLAPP,B.R.SAVARIMUTHU,S.RAMASWAMY . 374 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16005.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 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 . 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 . 25 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.9 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 2 0 0 1 2 0 3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 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 2 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 . 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 0 140 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -59.0 -4.8 26.8 -5.7 2 2 A T > + 0 0 51 72,-0.2 3,-1.8 2,-0.0 73,-0.1 0.527 360.0 120.1-107.9 -9.9 -5.5 23.7 -3.5 3 3 A A T 3 S+ 0 0 59 1,-0.3 3,-0.1 71,-0.1 72,-0.0 -0.271 78.5 14.7 -62.0 134.0 -8.1 25.5 -1.3 4 4 A G T 3 S+ 0 0 64 1,-0.2 2,-0.3 27,-0.1 -1,-0.3 0.318 113.3 87.1 85.8 -6.4 -11.5 23.8 -1.3 5 5 A K S < S- 0 0 122 -3,-1.8 -1,-0.2 24,-0.1 2,-0.1 -0.836 84.0 -87.3-127.4 161.6 -10.3 20.6 -2.9 6 6 A V - 0 0 69 -2,-0.3 2,-0.5 -3,-0.1 23,-0.2 -0.390 36.4-145.5 -60.4 135.2 -8.9 17.3 -2.0 7 7 A I E -A 28 0A 12 21,-2.8 21,-2.9 -2,-0.1 2,-0.6 -0.932 2.4-151.7-102.9 125.1 -5.1 17.0 -1.7 8 8 A K E +A 27 0A 157 -2,-0.5 2,-0.3 19,-0.2 19,-0.2 -0.858 39.3 138.2 -91.5 124.7 -3.3 13.8 -2.8 9 9 A C E -A 26 0A 11 17,-2.2 17,-3.2 -2,-0.6 2,-0.3 -0.867 51.6 -84.3-150.2-178.5 -0.1 13.4 -0.8 10 10 A K E +A 25 0A 82 -2,-0.3 138,-2.7 15,-0.2 2,-0.3 -0.758 42.0 170.4 -96.7 145.9 2.0 10.9 1.0 11 11 A A E -AB 24 147A 0 13,-2.4 13,-3.2 -2,-0.3 2,-0.8 -0.968 38.0-113.2-143.8 159.7 1.5 9.8 4.6 12 12 A A E -A 23 0A 0 134,-3.1 53,-0.5 -2,-0.3 2,-0.4 -0.884 39.0-166.2 -94.1 108.4 2.8 7.1 6.9 13 13 A V E -A 22 0A 0 9,-2.9 9,-2.9 -2,-0.8 2,-0.7 -0.797 17.5-152.3 -94.8 136.5 -0.1 4.8 7.6 14 14 A L B +E 63 0B 0 49,-2.9 49,-2.0 -2,-0.4 7,-0.1 -0.926 16.5 179.3-103.8 106.4 -0.2 2.1 10.4 15 15 A W - 0 0 66 -2,-0.7 2,-0.3 5,-0.4 -1,-0.1 0.789 65.2 -1.0 -79.0 -28.5 -2.6 -0.5 9.0 16 16 A E S > S- 0 0 111 4,-0.2 3,-0.6 47,-0.1 -1,-0.3 -0.975 87.4 -80.5-158.9 153.7 -2.3 -2.8 12.0 17 17 A E T 3 S+ 0 0 94 -2,-0.3 37,-0.2 1,-0.2 36,-0.1 -0.187 108.5 20.9 -56.2 152.7 -0.6 -3.1 15.3 18 18 A K T 3 S+ 0 0 161 35,-3.1 -1,-0.2 1,-0.2 36,-0.1 0.829 98.3 114.4 56.6 39.7 3.0 -4.4 15.4 19 19 A K S < S- 0 0 110 -3,-0.6 -1,-0.2 34,-0.1 3,-0.1 -0.934 71.5-100.2-129.8 155.8 3.8 -3.5 11.8 20 20 A P - 0 0 81 0, 0.0 -5,-0.4 0, 0.0 -4,-0.2 -0.362 50.5 -91.7 -64.9 158.1 6.1 -1.0 10.2 21 21 A F - 0 0 7 -7,-0.1 2,-0.6 -6,-0.1 -7,-0.2 -0.469 39.6-139.2 -66.9 142.0 4.6 2.3 8.9 22 22 A S E -A 13 0A 38 -9,-2.9 -9,-2.9 -2,-0.2 2,-0.7 -0.935 6.7-135.8-108.0 123.8 3.6 2.1 5.3 23 23 A I E +A 12 0A 60 -2,-0.6 2,-0.3 -11,-0.2 -11,-0.2 -0.687 40.9 171.2 -76.4 121.1 4.3 5.1 3.1 24 24 A E E -A 11 0A 42 -13,-3.2 -13,-2.4 -2,-0.7 2,-0.6 -0.895 42.1-111.2-131.3 156.9 1.0 5.5 1.1 25 25 A E E -A 10 0A 120 -2,-0.3 108,-0.3 -15,-0.2 2,-0.3 -0.778 47.5-179.9 -80.9 120.7 -0.7 7.9 -1.3 26 26 A V E -A 9 0A 2 -17,-3.2 -17,-2.2 -2,-0.6 2,-0.5 -0.804 27.8-128.8-120.0 163.9 -3.6 9.3 0.7 27 27 A E E -AC 8 131A 76 104,-2.7 104,-2.0 -2,-0.3 2,-0.6 -0.967 18.8-158.8-111.9 129.0 -6.3 11.9 -0.1 28 28 A V E -AC 7 130A 0 -21,-2.9 -21,-2.8 -2,-0.5 102,-0.2 -0.961 15.3-137.5-112.0 115.7 -6.7 14.7 2.4 29 29 A A - 0 0 31 100,-2.7 -24,-0.1 -2,-0.6 -23,-0.1 -0.222 28.0 -96.0 -67.9 157.8 -10.1 16.3 2.3 30 30 A P - 0 0 39 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.403 51.8 -86.9 -70.6 157.1 -10.5 20.1 2.5 31 31 A P - 0 0 18 0, 0.0 47,-0.2 0, 0.0 3,-0.1 -0.463 39.1-149.8 -70.1 132.5 -11.2 21.7 6.0 32 32 A K > - 0 0 122 1,-0.2 3,-1.8 -2,-0.2 45,-0.2 -0.060 54.2 -39.3 -82.7-170.8 -14.8 22.0 7.1 33 33 A A T 3 S+ 0 0 49 1,-0.3 -1,-0.2 44,-0.2 46,-0.2 -0.338 132.9 6.5 -58.9 133.8 -16.1 24.7 9.4 34 34 A H T 3 S+ 0 0 103 44,-2.3 120,-2.7 1,-0.3 2,-0.3 0.720 105.0 119.9 70.0 24.9 -13.6 25.5 12.2 35 35 A E E < -G 153 0C 4 -3,-1.8 42,-3.2 118,-0.2 2,-0.4 -0.857 48.9-151.6-119.6 160.2 -10.9 23.2 10.7 36 36 A V E -GH 152 76C 0 116,-2.8 116,-2.7 -2,-0.3 2,-0.5 -0.995 5.1-148.6-135.3 125.7 -7.4 24.0 9.5 37 37 A R E -GH 151 75C 0 38,-2.6 37,-2.5 -2,-0.4 38,-1.4 -0.859 22.6-165.4 -99.0 130.6 -5.4 22.2 6.8 38 38 A I E -GH 150 73C 0 112,-3.0 112,-2.2 -2,-0.5 2,-0.7 -0.943 21.2-141.0-124.0 133.2 -1.7 22.2 7.4 39 39 A K E -GH 149 72C 92 33,-3.1 33,-2.4 -2,-0.4 110,-0.2 -0.815 35.2-127.7 -86.6 115.9 1.4 21.5 5.2 40 40 A M E + H 0 71C 3 108,-2.4 31,-0.3 -2,-0.7 3,-0.1 -0.417 33.2 172.8 -68.9 142.3 3.9 19.6 7.5 41 41 A V E - 0 0 44 29,-2.5 333,-1.9 1,-0.4 2,-0.3 0.681 68.7 -5.2-113.1 -39.1 7.4 20.9 7.7 42 42 A A E -IH 373 70C 0 28,-2.0 28,-2.6 331,-0.2 -1,-0.4 -0.980 56.1-171.0-156.7 149.9 8.8 18.8 10.5 43 43 A T E -IH 372 69C 0 329,-2.3 329,-3.3 -2,-0.3 26,-0.3 -0.999 17.2-136.0-144.8 135.7 7.6 16.2 13.0 44 44 A G E -I 371 0C 0 24,-2.7 2,-0.7 -2,-0.3 24,-0.5 -0.567 19.1-123.7 -87.7 153.2 9.3 14.5 16.0 45 45 A I - 0 0 3 325,-2.0 325,-0.4 -2,-0.2 2,-0.3 -0.908 35.2-170.4 -98.0 112.8 9.2 10.8 16.8 46 46 A C >> - 0 0 10 -2,-0.7 3,-1.5 1,-0.1 4,-1.2 -0.782 35.3-118.8-105.2 148.8 7.8 10.4 20.3 47 47 A R H 3> S+ 0 0 130 -2,-0.3 4,-2.0 1,-0.3 3,-0.3 0.854 114.4 62.5 -45.1 -40.5 7.6 7.3 22.5 48 48 A S H 3> S+ 0 0 41 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.844 97.4 54.8 -62.4 -32.1 3.8 7.7 22.5 49 49 A D H <> S+ 0 0 0 -3,-1.5 4,-1.3 1,-0.2 3,-0.4 0.887 107.6 50.8 -63.4 -38.3 3.8 7.2 18.7 50 50 A D H X S+ 0 0 23 -4,-1.2 4,-2.6 -3,-0.3 -2,-0.2 0.837 101.4 62.3 -66.2 -35.3 5.6 3.8 19.4 51 51 A H H X>S+ 0 0 27 -4,-2.0 6,-2.1 1,-0.2 5,-1.4 0.821 100.2 53.7 -63.2 -30.8 3.0 2.9 22.0 52 52 A V H ><5S+ 0 0 3 -4,-1.0 3,-0.7 -3,-0.4 -1,-0.2 0.937 108.9 48.9 -63.3 -47.6 0.4 3.0 19.2 53 53 A V H 3<5S+ 0 0 9 -4,-1.3 -35,-3.1 1,-0.2 -2,-0.2 0.930 110.9 49.7 -56.5 -46.5 2.5 0.6 17.2 54 54 A S H 3<5S- 0 0 54 -4,-2.6 -1,-0.2 -37,-0.2 -2,-0.2 0.645 110.8-120.8 -69.4 -17.7 2.9 -1.8 20.2 55 55 A G T <<5S+ 0 0 19 -4,-0.8 -3,-0.2 -3,-0.7 -2,-0.1 0.532 86.1 111.8 85.8 8.0 -0.9 -1.7 20.8 56 56 A T S - 0 0 8 -42,-3.2 3,-1.4 -2,-0.4 -44,-0.2 -0.271 52.4 -58.9 -76.5 174.6 -12.4 26.3 6.9 78 78 A E T 3 S+ 0 0 161 -47,-0.2 -44,-2.3 1,-0.2 -1,-0.2 -0.232 120.3 14.0 -54.4 137.0 -15.4 28.7 7.5 79 79 A G T 3 S+ 0 0 50 1,-0.2 2,-0.3 -46,-0.2 -1,-0.2 0.438 81.4 146.7 77.9 4.4 -15.3 30.7 10.7 80 80 A V < + 0 0 16 -3,-1.4 -1,-0.2 -45,-0.1 -4,-0.1 -0.595 10.6 161.7 -74.1 126.8 -11.6 30.2 11.6 81 81 A T + 0 0 118 -2,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.550 58.2 64.6-119.2 -17.0 -10.2 33.3 13.3 82 82 A T S S+ 0 0 57 1,-0.1 2,-0.3 75,-0.0 77,-0.3 0.596 106.8 28.7 -95.5 -13.1 -7.0 32.3 15.1 83 83 A V - 0 0 1 75,-0.1 -1,-0.1 76,-0.0 6,-0.0 -0.962 63.4-161.8-141.9 161.4 -4.9 31.3 12.1 84 84 A R > - 0 0 186 -2,-0.3 3,-2.2 -3,-0.0 -11,-0.3 -0.944 42.0 -72.9-140.1 154.9 -4.6 32.3 8.4 85 85 A P T 3 S+ 0 0 78 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.239 119.3 25.7 -48.4 136.1 -3.1 30.7 5.3 86 86 A G T 3 S+ 0 0 49 -13,-3.0 2,-0.1 1,-0.3 -12,-0.1 0.203 89.1 131.7 90.3 -12.6 0.7 31.0 5.4 87 87 A D < - 0 0 34 -3,-2.2 -14,-2.6 -14,-0.1 -1,-0.3 -0.443 60.4-119.4 -70.1 142.4 1.0 31.1 9.2 88 88 A K E +J 72 0C 47 72,-0.5 72,-2.5 -16,-0.2 2,-0.3 -0.662 44.3 178.1 -77.3 140.9 3.5 28.9 11.0 89 89 A V E -JK 71 159C 0 -18,-2.7 -18,-2.5 -2,-0.3 70,-0.2 -0.971 32.4-147.3-148.3 156.6 1.7 26.6 13.4 90 90 A I E - K 0 158C 0 68,-1.9 68,-1.7 -2,-0.3 -20,-0.2 -0.998 28.9-128.3-127.6 118.8 2.1 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 -0.425 20.8-134.7 -63.6 145.0 -0.8 21.2 16.2 92 92 A L - 0 0 2 64,-3.2 -24,-0.1 50,-0.2 4,-0.1 -0.900 18.0-171.1-110.2 107.7 -2.0 20.7 19.8 93 93 A F S S+ 0 0 20 -2,-0.6 22,-0.4 80,-0.4 -1,-0.1 0.786 90.8 51.4 -70.7 -23.2 -2.5 17.1 20.9 94 94 A T S S- 0 0 2 20,-0.1 -1,-0.2 -3,-0.1 230,-0.1 -0.969 96.5-145.2-106.1 111.3 -4.1 18.5 24.1 95 95 A P - 0 0 3 0, 0.0 16,-0.6 0, 0.0 229,-0.3 -0.121 8.7-146.5 -70.7 166.2 -6.7 20.9 22.7 96 96 A Q + 0 0 28 59,-2.3 61,-0.1 227,-0.1 14,-0.1 -0.754 22.9 169.7-133.7 88.3 -7.7 24.3 24.3 97 97 A C - 0 0 28 -2,-0.3 -1,-0.1 1,-0.1 59,-0.1 0.810 32.2-144.7 -66.3 -31.4 -11.4 24.8 23.6 98 98 A G S S+ 0 0 32 57,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.332 81.6 72.0 84.7 -5.5 -11.6 27.7 26.1 99 99 A K S S+ 0 0 184 5,-0.0 -1,-0.1 4,-0.0 -3,-0.0 0.714 70.3 87.7-115.5 -29.5 -15.2 26.8 27.1 100 100 A C S > S- 0 0 24 1,-0.1 4,-2.2 5,-0.0 5,-0.2 -0.249 87.6-102.7 -77.6 165.3 -15.2 23.6 29.2 101 101 A R T 4 S+ 0 0 185 1,-0.2 4,-0.3 2,-0.2 7,-0.2 0.807 121.9 50.9 -59.4 -28.9 -14.8 23.5 33.0 102 102 A V T >4 S+ 0 0 27 2,-0.2 3,-1.1 1,-0.2 6,-0.3 0.925 110.1 47.2 -73.7 -46.1 -11.1 22.5 32.7 103 103 A C T 34 S+ 0 0 16 1,-0.3 -2,-0.2 7,-0.1 -1,-0.2 0.832 113.1 51.2 -63.7 -30.8 -10.2 25.2 30.2 104 104 A K T 3< S+ 0 0 159 -4,-2.2 -1,-0.3 3,-0.0 -2,-0.2 0.515 92.8 94.0 -80.6 -7.4 -12.0 27.7 32.6 105 105 A H S X S- 0 0 104 -3,-1.1 3,-0.5 -4,-0.3 -5,-0.0 -0.732 76.9-134.6 -90.5 133.9 -10.1 26.4 35.6 106 106 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.790 103.3 29.8 -57.5 -27.6 -6.8 28.3 36.5 107 107 A E T 3 S+ 0 0 90 215,-0.0 2,-0.2 -5,-0.0 -4,-0.1 0.500 99.7 94.0-112.4 -4.2 -4.8 25.1 37.0 108 108 A G < + 0 0 18 -3,-0.5 3,-0.1 -6,-0.3 215,-0.0 -0.587 29.8 159.2 -87.1 152.3 -6.4 22.6 34.6 109 109 A N + 0 0 18 -2,-0.2 2,-2.0 214,-0.1 215,-0.3 0.408 46.2 101.2-142.8 -8.3 -5.2 22.0 31.1 110 110 A F - 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