==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(NAD(A)-CHOH(D)) 08-NOV-93 2OXI . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR S.AL-KARADAGHI,E.S.CEDERGREN-ZEPPEZAUER . 748 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 502 67.1 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 . 100 13.4 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 . 43 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 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 6 0 0 3 2 3 4 0 0 4 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 . 2 8 6 0 2 0 4 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 0 0 0 4 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 0 157 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-105.7 32.3 54.1 14.7 2 2 A T > + 0 0 55 2,-0.1 3,-2.6 72,-0.1 73,-0.1 0.726 360.0 111.3 -93.0 -24.9 31.2 50.7 16.3 3 3 A A T 3 S+ 0 0 69 1,-0.3 3,-0.1 71,-0.2 72,-0.1 -0.119 90.6 11.7 -43.0 125.3 34.2 49.0 17.8 4 4 A G T 3 S+ 0 0 67 1,-0.2 -1,-0.3 27,-0.0 2,-0.3 0.334 110.7 97.8 84.5 -10.9 34.1 49.0 21.6 5 5 A K S < S- 0 0 127 -3,-2.6 -1,-0.2 24,-0.1 2,-0.2 -0.811 82.1-105.0-114.4 153.2 30.4 50.1 21.7 6 6 A V - 0 0 71 -2,-0.3 2,-0.4 -3,-0.1 23,-0.2 -0.535 37.5-142.3 -63.1 128.2 27.1 48.0 22.2 7 7 A I E -A 28 0A 14 21,-2.2 21,-3.4 -2,-0.2 2,-0.5 -0.890 4.8-150.2 -99.0 136.0 25.4 47.9 18.7 8 8 A K E +A 27 0A 139 -2,-0.4 2,-0.2 19,-0.2 19,-0.2 -0.951 39.0 142.7-101.5 124.2 21.5 48.2 18.8 9 9 A C E -A 26 0A 9 17,-2.5 17,-3.1 -2,-0.5 2,-0.3 -0.870 51.5 -77.8-152.5 179.6 20.2 46.2 15.8 10 10 A K E +A 25 0A 86 -2,-0.2 138,-2.2 15,-0.2 2,-0.3 -0.730 46.2 166.2 -90.5 137.0 17.4 43.9 14.4 11 11 A A E -AB 24 147A 0 13,-1.8 13,-2.7 -2,-0.3 2,-0.8 -0.984 39.9-115.7-148.6 142.4 17.5 40.2 15.3 12 12 A A E -A 23 0A 0 134,-2.9 53,-0.5 -2,-0.3 2,-0.4 -0.764 36.3-165.8 -84.0 110.8 14.8 37.5 14.9 13 13 A V E -AC 22 64A 0 9,-2.9 9,-3.1 -2,-0.8 2,-0.6 -0.796 14.3-154.5 -96.3 137.6 14.0 36.4 18.5 14 14 A L E + C 0 63A 0 49,-2.4 49,-2.0 -2,-0.4 7,-0.1 -0.968 17.0 175.6-107.0 114.4 12.0 33.2 19.2 15 15 A W + 0 0 70 -2,-0.6 2,-0.3 5,-0.4 -1,-0.1 0.804 64.7 13.3 -87.0 -28.6 10.3 33.8 22.5 16 16 A E S > S- 0 0 114 4,-0.2 3,-1.1 45,-0.1 -1,-0.2 -0.972 86.5 -93.6-147.7 149.6 8.3 30.6 22.7 17 17 A E T 3 S+ 0 0 92 -2,-0.3 37,-0.2 1,-0.2 36,-0.2 -0.269 107.1 20.7 -62.2 155.5 8.2 27.2 20.9 18 18 A K T 3 S+ 0 0 164 35,-2.7 -1,-0.2 1,-0.2 36,-0.1 0.499 100.5 107.5 59.6 19.5 5.7 27.0 18.0 19 19 A K S < S- 0 0 112 -3,-1.1 -1,-0.2 34,-0.1 2,-0.2 -0.618 75.4 -95.9-112.2 167.5 5.4 30.8 17.4 20 20 A P - 0 0 86 0, 0.0 -5,-0.4 0, 0.0 -4,-0.2 -0.532 49.5 -94.8 -74.6 158.5 6.8 33.0 14.6 21 21 A F - 0 0 7 -2,-0.2 2,-0.5 -7,-0.1 -7,-0.2 -0.394 36.2-133.6 -65.8 148.7 10.0 34.7 15.1 22 22 A S E -A 13 0A 46 -9,-3.1 -9,-2.9 -2,-0.1 2,-0.7 -0.932 10.0-135.8-111.0 120.5 9.7 38.2 16.4 23 23 A I E +A 12 0A 61 -2,-0.5 2,-0.2 -11,-0.2 -11,-0.2 -0.749 42.6 172.8 -76.6 113.7 11.9 40.9 14.6 24 24 A E E -A 11 0A 28 -13,-2.7 -13,-1.8 -2,-0.7 2,-0.5 -0.740 41.0-113.2-118.7 168.3 13.1 42.8 17.6 25 25 A E E +A 10 0A 120 -2,-0.2 108,-0.3 -15,-0.2 2,-0.3 -0.919 45.4 179.2 -99.8 122.9 15.6 45.6 18.4 26 26 A V E -A 9 0A 0 -17,-3.1 -17,-2.5 -2,-0.5 2,-0.6 -0.880 29.6-124.4-122.9 159.0 18.4 44.0 20.5 27 27 A E E -AD 8 131A 61 104,-2.8 104,-2.1 -2,-0.3 2,-0.7 -0.944 20.9-157.1-103.3 123.5 21.6 45.3 22.0 28 28 A V E -AD 7 130A 0 -21,-3.4 -21,-2.2 -2,-0.6 102,-0.2 -0.901 14.2-140.9-103.2 103.0 24.7 43.3 20.9 29 29 A A - 0 0 28 100,-1.8 -24,-0.1 -2,-0.7 -23,-0.1 -0.064 27.6-100.1 -54.1 154.9 27.5 43.7 23.4 30 30 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 -24,-0.1 -0.434 51.4 -75.8 -81.5 166.1 31.0 44.1 22.0 31 31 A P - 0 0 22 0, 0.0 47,-0.3 0, 0.0 3,-0.1 -0.327 41.0-152.4 -70.7 132.8 33.5 41.1 21.9 32 32 A K > - 0 0 102 1,-0.2 3,-1.2 45,-0.2 45,-0.2 -0.140 57.6 -37.3 -82.4-166.0 35.1 40.0 25.1 33 33 A A T 3 S+ 0 0 56 1,-0.3 -1,-0.2 44,-0.2 46,-0.2 -0.384 133.4 2.4 -65.4 129.8 38.6 38.3 25.1 34 34 A H T 3 S+ 0 0 95 44,-2.0 120,-2.3 1,-0.3 2,-0.3 0.847 103.1 119.0 62.6 40.2 38.8 35.9 22.0 35 35 A E E < -G 153 0B 4 -3,-1.2 42,-2.7 118,-0.2 2,-0.4 -0.914 49.1-151.7-128.8 156.7 35.4 36.7 20.6 36 36 A V E -GH 152 76B 0 116,-2.6 116,-2.5 -2,-0.3 2,-0.4 -0.969 7.2-144.8-125.7 131.5 34.7 38.2 17.2 37 37 A R E -GH 151 75B 0 38,-2.9 37,-2.9 -2,-0.4 38,-1.2 -0.915 23.4-162.8-103.6 139.5 31.6 40.4 16.4 38 38 A I E -GH 150 73B 0 112,-2.9 112,-2.2 -2,-0.4 2,-0.6 -0.951 20.8-140.6-126.0 143.1 30.3 39.9 12.9 39 39 A K E -GH 149 72B 79 33,-2.8 33,-2.4 -2,-0.4 110,-0.2 -0.907 34.7-128.8-102.5 124.8 28.0 41.8 10.7 40 40 A M E + H 0 71B 0 108,-2.3 31,-0.3 -2,-0.6 3,-0.1 -0.464 32.2 171.9 -76.1 141.9 25.8 39.3 8.9 41 41 A V E + 0 0 38 29,-2.3 333,-1.5 1,-0.5 2,-0.3 0.696 67.5 1.5-119.4 -31.3 25.4 39.3 5.1 42 42 A A E +IH 373 70B 0 28,-1.5 28,-1.6 331,-0.2 -1,-0.5 -0.965 60.0 179.7-157.0 135.6 23.5 36.1 4.1 43 43 A T E -IH 372 69B 0 329,-2.3 329,-3.4 -2,-0.3 26,-0.3 -0.987 17.7-139.0-147.5 138.2 22.0 33.4 6.3 44 44 A G E -I 371 0B 0 24,-2.9 2,-0.7 -2,-0.4 24,-0.5 -0.614 17.7-117.3 -95.4 160.7 20.1 30.3 5.2 45 45 A I - 0 0 1 325,-1.7 325,-0.4 -2,-0.2 2,-0.3 -0.914 37.4-175.3 -99.7 106.6 17.0 28.6 6.7 46 46 A C >> - 0 0 5 -2,-0.7 4,-1.2 323,-0.1 3,-1.1 -0.710 36.3-118.4-101.4 150.3 18.0 25.1 7.8 47 47 A R H 3> S+ 0 0 99 -2,-0.3 4,-2.0 1,-0.3 5,-0.1 0.803 111.0 67.2 -60.7 -28.8 15.5 22.5 9.2 48 48 A S H 3> S+ 0 0 24 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.851 97.7 53.9 -60.9 -31.3 17.5 22.5 12.5 49 49 A D H X> S+ 0 0 0 -3,-1.1 4,-1.4 1,-0.2 3,-0.7 0.939 108.5 47.8 -70.2 -39.2 16.3 26.0 13.1 50 50 A D H 3X S+ 0 0 7 -4,-1.2 4,-2.7 1,-0.2 -2,-0.2 0.833 102.8 63.9 -65.8 -32.1 12.8 24.9 12.5 51 51 A H H 3X>S+ 0 0 21 -4,-2.0 6,-1.6 2,-0.2 5,-1.4 0.865 100.7 52.3 -61.0 -34.0 13.5 22.0 15.0 52 52 A V H X<5S+ 0 0 4 -4,-1.2 3,-0.9 -3,-0.7 -2,-0.2 0.933 110.1 47.3 -66.1 -41.4 14.0 24.7 17.7 53 53 A V H 3<5S+ 0 0 6 -4,-1.4 -35,-2.7 1,-0.3 -2,-0.2 0.942 112.4 51.0 -65.1 -44.6 10.7 26.2 16.9 54 54 A S H 3<5S- 0 0 43 -4,-2.7 -1,-0.3 -37,-0.2 -2,-0.2 0.649 108.8-120.7 -63.1 -23.7 9.1 22.7 16.9 55 55 A G T <<5S+ 0 0 21 -3,-0.9 -3,-0.2 -4,-0.8 242,-0.2 0.505 85.7 116.1 85.0 2.6 10.5 21.7 20.4 56 56 A T S - 0 0 10 -42,-2.7 3,-1.8 -2,-0.3 -44,-0.2 -0.357 53.0 -54.3 -87.0 176.0 38.2 41.1 21.2 78 78 A E T 3 S+ 0 0 167 -47,-0.3 -44,-2.0 1,-0.3 -1,-0.2 -0.255 123.8 11.6 -58.3 122.4 41.5 41.0 23.1 79 79 A G T 3 S+ 0 0 43 1,-0.3 -1,-0.3 -46,-0.2 -46,-0.1 0.377 78.2 145.2 94.4 -4.7 43.7 38.2 21.7 80 80 A V < + 0 0 13 -3,-1.8 -1,-0.3 -45,-0.2 -4,-0.1 -0.480 10.4 162.4 -66.5 139.2 41.9 37.2 18.4 81 81 A T + 0 0 117 -2,-0.1 -1,-0.2 3,-0.0 3,-0.0 0.455 59.5 66.0-129.2 -19.9 44.6 36.2 15.9 82 82 A T S S+ 0 0 57 1,-0.1 2,-0.3 75,-0.0 77,-0.3 0.574 107.7 28.8 -89.3 -9.3 42.8 34.2 13.2 83 83 A V - 0 0 2 75,-0.1 -1,-0.1 76,-0.0 6,-0.0 -0.989 61.9-163.9-145.9 154.1 40.6 37.0 11.8 84 84 A R > - 0 0 191 -2,-0.3 3,-1.6 1,-0.1 -11,-0.3 -0.888 46.7 -71.7-127.5 156.8 40.9 40.8 11.6 85 85 A P T 3 S+ 0 0 76 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.190 120.0 31.7 -40.4 134.0 38.1 43.5 10.9 86 86 A G T 3 S+ 0 0 54 -13,-2.7 2,-0.2 1,-0.3 -12,-0.1 0.253 87.8 131.2 95.4 -15.0 36.9 43.3 7.2 87 87 A D < - 0 0 32 -3,-1.6 -14,-2.9 -14,-0.1 2,-0.4 -0.479 60.0-125.4 -72.2 138.5 37.5 39.6 6.8 88 88 A K E +J 72 0B 46 72,-0.5 72,-2.9 -16,-0.2 2,-0.3 -0.726 40.1 174.7 -77.5 132.7 34.8 37.5 5.4 89 89 A V E -JK 71 159B 0 -18,-2.1 -18,-2.0 -2,-0.4 70,-0.2 -0.896 30.2-145.3-137.5 160.6 34.1 34.7 7.8 90 90 A I E - K 0 158B 0 68,-1.6 68,-2.1 -2,-0.3 -20,-0.2 -0.995 29.8-128.0-123.5 123.7 31.6 31.8 8.1 91 91 A P E - K 0 157B 0 0, 0.0 2,-0.6 0, 0.0 -22,-0.3 -0.500 20.2-134.4 -74.5 150.6 30.6 31.1 11.8 92 92 A L - 0 0 4 64,-3.1 -24,-0.1 50,-0.2 82,-0.1 -0.918 15.9-165.9-113.2 109.1 30.9 27.4 12.8 93 93 A F S S+ 0 0 21 -2,-0.6 22,-0.5 80,-0.4 -1,-0.1 0.679 92.3 50.3 -70.0 -13.7 28.1 25.7 14.8 94 94 A T S S- 0 0 1 20,-0.1 -1,-0.1 21,-0.1 231,-0.1 -0.993 94.0-146.7-114.5 116.0 30.6 22.8 15.6 95 95 A P - 0 0 5 0, 0.0 16,-0.6 0, 0.0 229,-0.4 -0.188 9.8-145.0 -76.6 179.3 33.7 24.6 16.9 96 96 A Q + 0 0 23 59,-2.1 61,-0.1 227,-0.1 14,-0.1 -0.722 20.3 174.9-136.3 84.0 37.2 23.4 16.4 97 97 A C - 0 0 18 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 0.669 29.6-145.1 -70.4 -14.7 39.1 24.3 19.7 98 98 A G S S+ 0 0 45 1,-0.1 -1,-0.1 57,-0.1 57,-0.0 0.158 82.1 72.5 81.2 -17.1 42.3 22.5 18.5 99 99 A K S S+ 0 0 166 -2,-0.1 2,-0.2 4,-0.0 -1,-0.1 0.389 72.7 88.6-114.7 -12.4 43.2 21.4 22.0 100 100 A C S > S- 0 0 18 1,-0.1 4,-2.6 5,-0.0 5,-0.2 -0.541 86.3-102.5 -94.2 170.2 40.7 18.6 23.0 101 101 A R H > S+ 0 0 65 1,-0.2 4,-1.6 2,-0.2 7,-0.2 0.840 122.7 47.4 -49.0 -43.8 41.0 14.8 22.4 102 102 A V H 4 S+ 0 0 0 2,-0.2 6,-0.3 1,-0.2 -1,-0.2 0.933 112.1 47.5 -71.9 -45.5 38.5 15.0 19.5 103 103 A C H 4 S+ 0 0 15 1,-0.2 -2,-0.2 7,-0.1 -1,-0.2 0.842 114.3 48.3 -65.6 -32.6 40.2 17.9 17.8 104 104 A K H < S+ 0 0 150 -4,-2.6 -1,-0.2 2,-0.0 -2,-0.2 0.783 94.3 88.6 -74.9 -31.7 43.6 16.2 18.2 105 105 A H S < S- 0 0 41 -4,-1.6 3,-0.2 -5,-0.2 -5,-0.0 -0.551 79.4-134.9 -65.0 135.5 42.2 12.9 16.8 106 106 A P S S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 217,-0.1 0.588 98.3 33.1 -68.1 -22.6 42.6 12.7 12.9 107 107 A E S S+ 0 0 129 -5,-0.1 2,-0.2 215,-0.0 -5,-0.1 0.648 97.6 86.3-110.5 -22.0 39.1 11.5 12.2 108 108 A G + 0 0 1 -6,-0.3 553,-0.1 -3,-0.2 578,-0.1 -0.503 37.9 170.8 -84.9 147.1 36.8 13.0 15.0 109 109 A N + 0 0 11 551,-0.4 2,-2.2 576,-0.2 215,-0.3 0.527 47.4 102.9-122.0 -8.3 35.2 16.5 14.4 110 110 A F - 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