==== 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 01-SEP-99 1QLJ . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR S.RAMASWAMY,B.V.PLAPP . 374 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15606.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 67.6 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 . 47 12.6 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 . 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 . 30 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.7 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 0 2 1 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 . 1 3 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 0 0 0 1 2 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 0 145 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -37.3 9.6 10.3 96.5 2 2 A T > + 0 0 53 72,-0.1 3,-1.4 5,-0.0 73,-0.1 0.523 360.0 105.2-129.9 -25.6 9.3 12.9 93.8 3 3 A A T 3 S+ 0 0 55 1,-0.2 3,-0.1 71,-0.2 72,-0.1 -0.261 83.9 20.3 -61.2 142.3 6.9 11.3 91.4 4 4 A G T 3 S+ 0 0 63 1,-0.2 2,-0.3 72,-0.1 -1,-0.2 0.201 110.8 78.8 85.2 -17.4 3.3 12.8 91.4 5 5 A K S < S- 0 0 126 -3,-1.4 -1,-0.2 24,-0.1 23,-0.1 -0.820 88.7 -80.7-124.4 164.4 4.2 16.1 93.1 6 6 A V - 0 0 73 -2,-0.3 2,-0.5 24,-0.1 23,-0.2 -0.301 39.8-143.3 -61.9 140.3 5.6 19.4 92.1 7 7 A I E -A 28 0A 15 21,-2.5 21,-3.3 142,-0.0 2,-0.5 -0.928 3.5-148.3-110.0 130.2 9.4 19.7 91.8 8 8 A K E +A 27 0A 140 -2,-0.5 2,-0.3 19,-0.2 19,-0.2 -0.854 39.9 135.5 -95.5 125.7 11.2 22.8 92.9 9 9 A C E -A 26 0A 11 17,-2.6 17,-3.8 -2,-0.5 2,-0.3 -0.961 52.4 -88.6-159.4 175.3 14.4 23.4 90.9 10 10 A K E +A 25 0A 85 -2,-0.3 138,-2.2 15,-0.3 139,-0.3 -0.664 40.8 171.5 -94.0 152.1 16.4 26.0 89.0 11 11 A A E -AB 24 147A 0 13,-1.8 13,-2.2 -2,-0.3 2,-0.9 -0.969 40.0-104.4-152.8 158.1 15.9 26.7 85.3 12 12 A A E -A 23 0A 0 134,-3.0 53,-0.5 -2,-0.3 2,-0.4 -0.810 43.7-167.9 -91.1 106.3 17.2 29.3 82.9 13 13 A V E -AC 22 64A 0 9,-2.9 9,-3.4 -2,-0.9 2,-0.6 -0.806 18.6-158.3-101.7 138.8 14.4 31.8 82.4 14 14 A L E + C 0 63A 0 49,-2.3 49,-2.0 -2,-0.4 7,-0.1 -0.966 14.5 175.5-112.2 106.1 14.1 34.5 79.7 15 15 A W + 0 0 80 -2,-0.6 2,-0.3 5,-0.3 -1,-0.1 0.784 66.3 6.8 -81.2 -34.3 11.7 37.1 81.0 16 16 A E S > S- 0 0 109 4,-0.2 3,-0.5 47,-0.1 -1,-0.1 -0.902 87.7 -82.6-142.2 171.4 12.1 39.5 78.1 17 17 A E T 3 S+ 0 0 106 -2,-0.3 37,-0.2 1,-0.2 36,-0.1 -0.391 108.0 15.4 -77.1 154.3 13.8 39.8 74.7 18 18 A K T 3 S+ 0 0 160 35,-4.2 -1,-0.2 1,-0.2 36,-0.1 0.905 100.0 121.4 47.0 50.5 17.4 40.8 74.4 19 19 A K < - 0 0 99 -3,-0.5 -1,-0.2 34,-0.2 3,-0.1 -0.975 68.5-104.5-137.6 147.4 17.9 40.0 78.1 20 20 A P - 0 0 85 0, 0.0 -5,-0.3 0, 0.0 -4,-0.2 -0.299 48.0 -89.9 -70.3 162.3 20.4 37.6 79.7 21 21 A F - 0 0 6 -7,-0.1 2,-0.5 -6,-0.1 -7,-0.2 -0.517 40.1-143.3 -72.0 138.7 19.0 34.3 81.0 22 22 A S E -A 13 0A 43 -9,-3.4 -9,-2.9 -2,-0.2 2,-1.0 -0.930 9.1-132.9-108.1 124.4 18.0 34.6 84.6 23 23 A I E +A 12 0A 56 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.679 40.1 176.8 -77.3 104.0 18.6 31.6 86.8 24 24 A E E -A 11 0A 39 -13,-2.2 -13,-1.8 -2,-1.0 2,-0.8 -0.720 38.2-115.9-111.8 157.6 15.3 31.2 88.7 25 25 A E E -A 10 0A 115 -2,-0.3 -15,-0.3 -15,-0.2 2,-0.2 -0.856 47.3-176.6 -88.8 111.9 13.8 28.8 91.2 26 26 A V E -A 9 0A 0 -17,-3.8 -17,-2.6 -2,-0.8 2,-0.6 -0.703 28.0-129.8-111.1 163.9 10.9 27.3 89.3 27 27 A E E -AD 8 131A 72 104,-2.8 104,-1.0 -2,-0.2 2,-0.7 -0.970 19.2-158.7-114.3 113.8 8.1 24.8 90.1 28 28 A V E -AD 7 130A 0 -21,-3.3 -21,-2.5 -2,-0.6 102,-0.2 -0.878 17.2-136.8 -96.6 113.9 7.9 22.0 87.5 29 29 A A - 0 0 28 100,-2.8 -24,-0.1 -2,-0.7 3,-0.1 -0.257 27.3 -94.2 -69.0 150.9 4.4 20.4 87.7 30 30 A P - 0 0 38 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.267 50.6 -88.8 -63.3 154.2 4.0 16.6 87.6 31 31 A P - 0 0 18 0, 0.0 47,-0.2 0, 0.0 3,-0.1 -0.485 38.8-151.5 -71.0 124.8 3.3 15.0 84.2 32 32 A K > - 0 0 103 -2,-0.3 3,-1.6 1,-0.2 45,-0.2 -0.157 54.0 -39.8 -78.5-174.8 -0.3 14.7 83.2 33 33 A A T 3 S+ 0 0 46 1,-0.3 -1,-0.2 44,-0.2 46,-0.2 -0.192 132.3 6.8 -53.6 132.3 -1.5 11.8 80.9 34 34 A H T 3 S+ 0 0 100 44,-1.0 120,-3.3 1,-0.3 2,-0.3 0.727 105.2 119.6 65.7 26.7 0.9 11.0 78.1 35 35 A E E < -G 153 0B 4 -3,-1.6 42,-2.5 118,-0.3 2,-0.4 -0.860 49.8-150.1-120.3 154.0 3.6 13.4 79.5 36 36 A V E -GH 152 76B 0 116,-3.4 116,-2.7 -2,-0.3 2,-0.5 -0.986 4.9-147.4-129.2 130.6 7.1 12.6 80.7 37 37 A R E -GH 151 75B 0 38,-2.5 37,-1.9 -2,-0.4 38,-1.3 -0.865 21.7-163.3 -97.7 129.1 9.1 14.5 83.3 38 38 A I E -GH 150 73B 0 112,-2.9 112,-2.0 -2,-0.5 2,-0.8 -0.936 20.0-144.1-119.3 134.7 12.9 14.5 82.6 39 39 A K E -GH 149 72B 84 33,-4.2 33,-3.3 -2,-0.4 110,-0.3 -0.857 34.6-130.3 -91.9 112.4 15.8 15.3 84.9 40 40 A M E + H 0 71B 1 108,-2.3 31,-0.3 -2,-0.8 3,-0.1 -0.429 33.9 171.1 -66.4 136.5 18.2 17.1 82.5 41 41 A V E + 0 0 37 29,-2.6 333,-2.2 1,-0.4 2,-0.3 0.720 68.4 1.6-111.6 -43.4 21.8 15.8 82.5 42 42 A A E -IH 373 70B 0 28,-1.6 28,-2.0 331,-0.2 -1,-0.4 -0.989 59.5-176.3-151.3 136.7 23.3 17.8 79.6 43 43 A T E -IH 372 69B 0 329,-2.2 329,-3.3 -2,-0.3 26,-0.3 -0.996 17.3-136.8-135.7 139.5 22.0 20.4 77.2 44 44 A G E -I 371 0B 0 24,-3.1 2,-0.7 -2,-0.4 24,-0.5 -0.554 16.5-122.6 -93.9 158.8 23.6 22.0 74.2 45 45 A I - 0 0 2 325,-1.8 325,-0.5 -2,-0.2 2,-0.3 -0.904 35.3-175.6-104.4 106.5 23.6 25.7 73.2 46 46 A C >> - 0 0 12 -2,-0.7 3,-1.6 323,-0.1 4,-1.1 -0.703 37.0-117.7-101.3 153.7 22.2 26.0 69.7 47 47 A R H 3> S+ 0 0 133 1,-0.3 4,-1.5 -2,-0.3 -1,-0.1 0.795 112.5 64.1 -59.6 -29.2 21.9 29.1 67.6 48 48 A S H 34 S+ 0 0 43 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.751 97.7 55.8 -67.3 -24.2 18.1 28.8 67.5 49 49 A D H X> S+ 0 0 0 -3,-1.6 4,-1.5 2,-0.2 3,-1.0 0.890 106.2 50.0 -72.6 -39.5 18.1 29.3 71.3 50 50 A D H 3X S+ 0 0 27 -4,-1.1 4,-2.3 1,-0.3 6,-0.2 0.816 102.1 63.5 -66.3 -31.0 19.9 32.6 70.8 51 51 A H H 3< S+ 0 0 25 -4,-1.5 6,-3.3 2,-0.2 5,-0.5 0.715 100.2 52.0 -66.2 -23.4 17.3 33.4 68.2 52 52 A V H X4 S+ 0 0 3 -3,-1.0 3,-1.6 -4,-0.4 -2,-0.2 0.941 108.2 52.0 -74.3 -48.5 14.7 33.4 71.0 53 53 A V H 3< S+ 0 0 5 -4,-1.5 -35,-4.2 1,-0.3 -34,-0.2 0.867 111.2 45.3 -52.4 -48.0 16.8 35.8 73.0 54 54 A S T 3< S- 0 0 41 -4,-2.3 -1,-0.3 -37,-0.2 -2,-0.2 0.471 111.6-116.3 -81.1 0.0 17.1 38.3 70.2 55 55 A G S < S+ 0 0 20 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.452 86.1 118.5 79.4 -2.8 13.4 38.1 69.3 56 56 A T S S+ 0 0 30 -5,-0.5 2,-1.0 -6,-0.2 -4,-0.2 0.969 72.7 49.4 -58.9 -53.5 14.4 36.8 65.9 57 57 A L S S- 0 0 20 -6,-3.3 2,-0.4 -9,-0.1 -1,-0.2 -0.774 92.7-142.2 -91.7 102.3 12.5 33.5 66.6 58 58 A V + 0 0 115 -2,-1.0 -6,-0.1 238,-0.1 -2,-0.1 -0.514 40.7 141.8 -70.8 120.4 9.1 34.7 67.8 59 59 A T - 0 0 16 -2,-0.4 81,-0.1 -7,-0.2 4,-0.1 -0.954 57.3 -75.7-153.0 151.9 7.8 32.5 70.6 60 60 A P - 0 0 35 0, 0.0 60,-0.1 0, 0.0 78,-0.1 -0.270 59.6-109.3 -57.0 137.1 5.8 33.4 73.8 61 61 A L S S+ 0 0 48 2,-0.1 2,-0.2 76,-0.1 -46,-0.1 -0.907 90.5 45.3-123.5 152.2 7.7 35.0 76.7 62 62 A P S S+ 0 0 20 0, 0.0 76,-2.4 0, 0.0 2,-0.3 0.522 86.3 163.0 -68.9 153.0 8.7 34.6 79.4 63 63 A V E -Ce 14 138A 0 -49,-2.0 -49,-2.3 74,-0.2 2,-0.7 -0.962 45.1-131.9-143.0 155.4 10.0 31.2 78.3 64 64 A I E -C 13 0A 0 74,-1.8 76,-0.3 -2,-0.3 -51,-0.2 -0.963 39.4-162.8-106.2 108.9 12.4 28.4 79.3 65 65 A A + 0 0 0 -2,-0.7 81,-2.7 -53,-0.5 75,-0.2 0.196 35.4 105.1 -76.8-159.4 14.4 27.8 76.1 66 66 A G + 0 0 0 79,-0.3 79,-1.0 78,-0.3 78,-0.9 0.350 20.1 172.9 92.8 135.5 16.6 24.8 75.1 67 67 A H + 0 0 2 -23,-0.4 2,-0.6 77,-0.2 26,-0.4 0.271 62.8 78.1-154.2 -1.0 15.8 22.0 72.7 68 68 A E S S+ 0 0 0 -24,-0.5 -24,-3.1 24,-0.1 2,-0.3 -0.908 71.5 101.8-118.4 102.3 19.1 20.1 72.4 69 69 A A E -H 43 0B 0 -2,-0.6 2,-0.3 22,-0.4 -26,-0.2 -0.927 47.0-144.5-162.8-176.7 19.5 17.9 75.4 70 70 A A E +H 42 0B 0 -28,-2.0 -29,-2.6 -2,-0.3 -28,-1.6 -0.948 28.8 137.1-154.3 163.2 19.5 14.6 77.2 71 71 A G E -HJ 40 89B 0 18,-1.9 18,-2.8 -2,-0.3 2,-0.4 -0.971 47.6 -66.7 177.8-165.1 18.6 13.4 80.7 72 72 A I E -HJ 39 88B 41 -33,-3.3 -33,-4.2 -2,-0.3 2,-0.5 -0.932 39.6-119.6-117.5 136.9 16.8 10.8 82.8 73 73 A V E -H 38 0B 2 14,-2.0 13,-2.8 -2,-0.4 -35,-0.3 -0.613 26.3-176.8 -72.5 118.5 13.1 10.3 83.1 74 74 A E E - 0 0 29 -37,-1.9 2,-0.3 -2,-0.5 -1,-0.2 0.793 65.9 -18.8 -85.9 -30.4 12.1 10.9 86.7 75 75 A S E -H 37 0B 5 -38,-1.3 -38,-2.5 9,-0.1 -1,-0.3 -0.979 58.0-137.6-166.9 165.0 8.5 9.9 86.2 76 76 A I E -H 36 0B 44 -2,-0.3 -40,-0.2 -40,-0.2 2,-0.1 -0.892 19.7-120.0-130.6 158.3 5.7 9.4 83.6 77 77 A G > - 0 0 10 -42,-2.5 3,-1.1 -2,-0.3 2,-0.3 -0.328 51.8 -68.3 -87.4 176.8 2.0 10.3 83.3 78 78 A E T 3 S+ 0 0 164 -47,-0.2 -44,-1.0 1,-0.2 -1,-0.1 -0.513 121.5 21.8 -71.6 124.4 -0.8 7.8 82.9 79 79 A G T 3 S+ 0 0 39 1,-0.4 -1,-0.2 -2,-0.3 2,-0.1 0.013 79.8 137.9 111.9 -29.3 -0.7 6.2 79.5 80 80 A V < + 0 0 13 -3,-1.1 -1,-0.4 -45,-0.2 -4,-0.1 -0.332 15.8 161.1 -54.8 121.1 3.0 6.8 78.7 81 81 A T + 0 0 117 -3,-0.1 -1,-0.2 -2,-0.1 3,-0.0 0.542 57.1 65.5-120.9 -14.3 4.1 3.6 77.2 82 82 A T S S+ 0 0 57 1,-0.1 77,-0.3 75,-0.0 2,-0.3 0.565 105.3 29.1 -90.4 -11.8 7.3 4.4 75.3 83 83 A V - 0 0 1 75,-0.1 -1,-0.1 76,-0.0 6,-0.0 -0.976 62.2-159.4-145.5 157.9 9.6 5.4 78.2 84 84 A R > - 0 0 166 -2,-0.3 3,-2.2 -3,-0.0 -11,-0.3 -0.971 40.8 -76.1-138.4 152.8 10.0 4.5 81.9 85 85 A P T 3 S+ 0 0 73 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.133 118.0 29.5 -48.1 134.8 11.6 6.1 85.0 86 86 A G T 3 S+ 0 0 52 -13,-2.8 2,-0.2 1,-0.3 -12,-0.1 0.201 88.1 133.3 97.7 -15.6 15.4 5.7 84.9 87 87 A D < - 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