==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(NAD(A)-CHOH(D)) 18-OCT-93 1ADG . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR H.LI,W.A.HALLOWS,J.S.PUNZI,V.E.MARQUEZ,H.L.CARRELL, . 374 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15635.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 12.0 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 . 28 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 12.8 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 . 8 2.1 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 1 0 2 2 0 2 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 3 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 PARALLEL BRIDGES PER LADDER . 2 3 1 1 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 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 0 144 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -49.6 -4.9 26.7 -5.5 2 2 A T G > + 0 0 49 1,-0.2 3,-1.9 2,-0.1 73,-0.1 0.768 360.0 106.3 -68.7 -17.0 -5.8 23.7 -3.2 3 3 A A G 3 S+ 0 0 51 1,-0.3 -1,-0.2 71,-0.1 4,-0.1 0.623 75.5 38.4 -38.1 -45.4 -8.0 25.8 -1.1 4 4 A G G < S+ 0 0 61 -3,-0.6 -1,-0.3 26,-0.1 2,-0.2 0.864 115.3 45.7 -83.5 -14.9 -11.5 24.9 -2.0 5 5 A K S < S- 0 0 131 -3,-1.9 23,-0.1 -4,-0.3 -1,-0.0 -0.688 85.8 -67.7-141.0 167.7 -10.9 21.2 -2.4 6 6 A V - 0 0 63 -2,-0.2 2,-0.3 24,-0.1 23,-0.2 -0.148 41.4-150.5 -48.0 132.8 -9.6 17.7 -1.5 7 7 A I E -A 28 0A 15 21,-2.4 21,-2.4 -4,-0.1 2,-0.5 -0.746 3.4-145.9-106.0 149.7 -5.8 17.3 -1.7 8 8 A K E +A 27 0A 117 -2,-0.3 2,-0.3 19,-0.2 19,-0.3 -0.987 37.8 144.4-115.2 125.3 -4.3 13.9 -2.5 9 9 A C E -A 26 0A 6 17,-2.8 17,-3.7 -2,-0.5 2,-0.2 -0.930 48.5 -85.6-154.3 173.1 -1.0 13.3 -0.7 10 10 A K E +A 25 0A 84 -2,-0.3 138,-2.2 15,-0.3 2,-0.3 -0.614 47.2 158.4 -83.9 148.2 1.3 10.8 1.0 11 11 A A E -AB 24 147A 0 13,-1.5 13,-3.1 136,-0.3 2,-0.6 -0.938 43.5 -98.2-162.6 160.6 0.9 9.9 4.7 12 12 A A E -A 23 0A 0 134,-2.9 2,-0.4 -2,-0.3 53,-0.3 -0.761 39.6-168.2 -91.7 120.5 1.8 7.2 7.0 13 13 A V E -A 22 0A 0 9,-2.7 9,-2.5 -2,-0.6 2,-0.6 -0.880 19.0-158.2-112.9 140.0 -0.9 4.7 7.6 14 14 A L B +E 63 0B 0 49,-2.1 49,-1.3 -2,-0.4 3,-0.1 -0.984 17.1 171.7-105.6 115.1 -1.2 2.0 10.2 15 15 A W S S+ 0 0 90 -2,-0.6 2,-0.3 1,-0.4 -1,-0.1 0.745 72.8 11.5 -92.7 -19.1 -3.7 -0.5 8.8 16 16 A E S > S- 0 0 108 4,-0.2 3,-0.7 -3,-0.1 -1,-0.4 -0.981 87.6-100.7-158.4 143.1 -3.0 -3.0 11.5 17 17 A E T 3 S+ 0 0 90 -2,-0.3 37,-0.2 1,-0.2 36,-0.1 -0.369 102.2 28.0 -80.5 158.9 -1.1 -2.9 14.8 18 18 A K T 3 S+ 0 0 136 35,-2.4 -1,-0.2 1,-0.3 36,-0.1 0.728 99.8 112.9 62.6 32.5 2.2 -4.2 15.3 19 19 A K S < S- 0 0 88 -3,-0.7 -1,-0.3 34,-0.2 -3,-0.1 -0.963 72.4-110.4-123.5 141.8 2.9 -3.5 11.6 20 20 A P - 0 0 81 0, 0.0 2,-0.2 0, 0.0 -4,-0.2 -0.188 49.6 -85.6 -58.6 163.1 5.3 -0.8 10.2 21 21 A F - 0 0 11 -7,-0.1 2,-0.5 -6,-0.1 -7,-0.2 -0.498 31.4-139.1 -77.3 145.1 3.7 2.2 8.5 22 22 A S E -A 13 0A 39 -9,-2.5 -9,-2.7 -2,-0.2 2,-0.6 -0.860 13.8-137.0 -95.4 129.1 2.7 2.2 4.9 23 23 A I E +A 12 0A 37 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.818 43.8 172.7 -80.5 122.7 3.5 5.5 3.0 24 24 A E E -A 11 0A 34 -13,-3.1 -13,-1.5 -2,-0.6 2,-0.5 -0.821 39.5-113.9-129.1 171.2 0.2 5.8 1.2 25 25 A E E +A 10 0A 105 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.3 -0.924 45.0 174.9-106.5 135.3 -1.5 8.3 -1.0 26 26 A V E -A 9 0A 1 -17,-3.7 -17,-2.8 -2,-0.5 2,-0.6 -0.868 32.6-115.6-138.1 168.7 -4.6 9.6 0.7 27 27 A E E -AC 8 131A 74 104,-1.7 104,-0.9 -2,-0.3 2,-0.8 -0.954 19.5-155.8-116.5 112.7 -7.2 12.2 0.2 28 28 A V E -AC 7 130A 0 -21,-2.4 -21,-2.4 -2,-0.6 102,-0.2 -0.824 20.6-137.0 -90.8 109.9 -7.3 15.0 2.7 29 29 A A - 0 0 25 100,-1.6 -24,-0.1 -2,-0.8 3,-0.1 -0.230 27.8 -96.2 -55.2 149.5 -10.8 16.4 2.6 30 30 A P - 0 0 44 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.381 50.5 -92.4 -59.7 149.7 -11.3 20.3 2.6 31 31 A P - 0 0 17 0, 0.0 47,-0.3 0, 0.0 3,-0.1 -0.447 35.2-151.1 -71.9 131.8 -11.9 21.9 6.1 32 32 A K > - 0 0 95 -2,-0.2 3,-1.5 1,-0.2 45,-0.1 -0.083 53.9 -38.0 -83.8-163.8 -15.4 22.4 7.3 33 33 A A T 3 S+ 0 0 42 1,-0.3 -1,-0.2 44,-0.2 46,-0.2 -0.380 132.4 6.0 -65.6 136.8 -16.4 25.3 9.7 34 34 A H T 3 S+ 0 0 94 44,-2.5 120,-2.8 1,-0.2 121,-0.3 0.748 104.0 119.6 63.5 29.6 -13.8 25.9 12.4 35 35 A E E < -G 153 0C 3 -3,-1.5 42,-3.1 118,-0.3 2,-0.3 -0.792 46.9-157.0-114.5 162.1 -11.3 23.5 10.8 36 36 A V E -GH 152 76C 0 116,-1.8 116,-1.9 -2,-0.3 2,-0.5 -0.950 7.3-145.3-134.0 150.4 -7.8 24.3 9.6 37 37 A R E -G 151 0C 0 38,-1.9 37,-3.0 -2,-0.3 38,-0.4 -0.996 20.7-161.2-123.7 132.8 -5.8 22.4 7.0 38 38 A I E -GH 150 73C 0 112,-2.5 112,-1.5 -2,-0.5 2,-0.8 -0.905 19.8-142.3-123.5 136.3 -2.1 22.4 7.6 39 39 A K E -GH 149 72C 98 33,-3.3 33,-2.8 -2,-0.4 110,-0.2 -0.869 33.4-134.4 -93.6 114.3 0.9 21.7 5.4 40 40 A M E + H 0 71C 2 108,-2.1 31,-0.2 -2,-0.8 3,-0.1 -0.255 29.9 173.7 -66.8 158.7 3.3 19.9 7.6 41 41 A V E S- 0 0 43 29,-1.3 333,-2.4 1,-0.4 2,-0.3 0.564 70.2 -1.4-133.4 -44.8 7.0 20.8 7.6 42 42 A A E -IH 373 70C 0 28,-1.3 28,-1.8 331,-0.2 -1,-0.4 -0.977 59.9-175.8-152.4 136.4 8.6 18.8 10.4 43 43 A T E -IH 372 69C 0 329,-2.4 329,-2.9 -2,-0.3 26,-0.3 -0.994 20.5-132.9-134.2 134.8 7.0 16.3 12.8 44 44 A G E -I 371 0C 0 24,-2.9 24,-0.4 -2,-0.4 2,-0.4 -0.522 15.2-124.7 -83.0 162.5 8.9 14.5 15.7 45 45 A I E +I 370 0C 3 325,-2.3 325,-0.5 -2,-0.2 2,-0.3 -0.923 35.6 177.3-105.4 131.9 8.7 10.8 16.5 46 46 A C >> - 0 0 12 -2,-0.4 3,-1.9 323,-0.1 4,-1.2 -0.998 42.6-110.0-143.7 140.4 7.6 10.0 20.1 47 47 A R H 3> S+ 0 0 116 -2,-0.3 4,-2.6 1,-0.3 3,-0.3 0.731 108.1 67.3 -31.4 -43.8 6.9 6.9 22.3 48 48 A S H 3> S+ 0 0 40 1,-0.3 4,-0.8 2,-0.3 -1,-0.3 0.833 103.1 41.6 -64.3 -33.8 3.2 7.7 22.4 49 49 A D H <> S+ 0 0 0 -3,-1.9 4,-1.2 1,-0.2 -1,-0.3 0.788 112.7 54.9 -88.2 -16.4 2.5 7.0 18.8 50 50 A D H X S+ 0 0 6 -4,-1.2 4,-2.3 -3,-0.3 -2,-0.3 0.845 102.1 58.6 -73.1 -32.1 4.8 4.0 18.9 51 51 A H H < S+ 0 0 29 -4,-2.6 6,-1.8 2,-0.2 5,-0.4 0.808 102.4 54.9 -60.6 -32.5 2.5 2.8 21.8 52 52 A V H >< S+ 0 0 3 -4,-0.8 3,-1.5 4,-0.2 -1,-0.2 0.932 106.2 51.3 -58.2 -47.9 -0.4 3.0 19.3 53 53 A V H 3< S+ 0 0 6 -4,-1.2 -35,-2.4 1,-0.3 -34,-0.2 0.902 105.9 53.1 -60.7 -51.8 1.5 0.7 17.0 54 54 A S T 3< S- 0 0 43 -4,-2.3 -1,-0.3 -37,-0.2 -2,-0.2 0.585 115.6-111.9 -63.9 -6.8 2.2 -1.8 19.7 55 55 A G S < S+ 0 0 19 -3,-1.5 -3,-0.1 -4,-0.4 -1,-0.1 0.047 92.9 108.4 96.8 -27.7 -1.6 -2.1 20.6 56 56 A T S S+ 0 0 50 -5,-0.4 2,-0.8 -6,-0.2 -4,-0.2 0.889 70.9 49.4 -54.9 -55.3 -0.9 -0.4 24.0 57 57 A L S S- 0 0 18 -6,-1.8 2,-0.7 -9,-0.1 -2,-0.3 -0.842 91.4-144.6 -86.5 117.4 -2.5 3.0 23.4 58 58 A V + 0 0 115 -2,-0.8 -6,-0.1 238,-0.1 -2,-0.1 -0.812 39.0 147.5 -91.9 118.0 -5.8 1.9 22.1 59 59 A T - 0 0 6 -2,-0.7 2,-0.2 -7,-0.2 61,-0.1 -0.920 59.2 -82.7-140.3 143.1 -7.0 4.3 19.5 60 60 A P - 0 0 37 0, 0.0 78,-0.1 0, 0.0 60,-0.0 -0.416 57.5-108.6 -56.0 127.6 -9.1 3.1 16.5 61 61 A L S S+ 0 0 47 -2,-0.2 -46,-0.1 2,-0.1 2,-0.1 -0.722 91.3 53.7 -98.7 152.4 -7.2 1.5 13.6 62 62 A P S S+ 0 0 23 0, 0.0 76,-2.5 0, 0.0 2,-0.3 0.630 84.4 158.3 -67.7 152.7 -6.5 2.3 10.6 63 63 A V E -Ef 14 138B 0 -49,-1.3 -49,-2.1 74,-0.2 2,-0.6 -0.942 52.4-131.8-149.6 152.3 -5.0 5.6 11.7 64 64 A I E - f 0 139B 0 74,-1.9 76,-0.6 -2,-0.3 79,-0.2 -0.967 40.5-164.5 -98.7 104.8 -2.6 8.4 10.7 65 65 A A + 0 0 0 -2,-0.6 81,-1.8 -53,-0.3 75,-0.2 0.025 35.6 111.2 -76.9-162.3 -0.6 8.8 14.1 66 66 A G + 0 0 0 78,-0.2 79,-1.1 79,-0.2 78,-0.7 0.329 20.9 169.6 100.3 124.4 1.6 11.8 14.9 67 67 A H + 0 0 0 -23,-0.3 2,-0.7 77,-0.2 26,-0.3 0.417 60.8 75.4-135.5 -14.1 0.9 14.4 17.5 68 68 A E + 0 0 0 -24,-0.4 -24,-2.9 24,-0.1 2,-0.3 -0.776 66.8 110.7-111.8 102.6 4.1 16.4 17.7 69 69 A A E -H 43 0C 0 -2,-0.7 2,-0.3 22,-0.4 -26,-0.2 -0.951 45.8-147.1-161.0 165.8 4.6 18.9 14.8 70 70 A A E +H 42 0C 0 -28,-1.8 -29,-1.3 -2,-0.3 -28,-1.3 -0.889 34.7 140.7-135.1 155.8 4.8 22.4 13.4 71 71 A G E -HJ 40 89C 0 18,-2.0 18,-1.9 -2,-0.3 2,-0.3 -0.884 45.1 -74.9-168.9-164.0 3.7 23.5 9.8 72 72 A I E -HJ 39 88C 54 -33,-2.8 -33,-3.3 16,-0.2 2,-0.3 -0.953 39.4-113.7-122.0 144.2 2.0 26.2 7.7 73 73 A V E +H 38 0C 4 14,-2.4 13,-4.0 -2,-0.3 -35,-0.2 -0.642 36.4 167.3 -75.6 127.2 -1.8 27.0 7.3 74 74 A E E + 0 0 32 -37,-3.0 2,-0.3 1,-0.4 -1,-0.2 0.757 63.9 11.8-104.8 -75.1 -3.3 26.3 3.9 75 75 A S E - 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