==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE (NAD(A)-CHOH(D)) 16-JAN-84 7ADH . COMPND 2 MOLECULE: ISONICOTINIMIDYLATED LIVER ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR B.PLAPP,H.EKLUND . 374 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 9.9 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 . 0 0.0 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 . 1 0.3 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 . 44 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 4 1 1 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 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 0 0 PARALLEL BRIDGES PER LADDER . 3 3 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 0 0 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 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 0 142 0, 0.0 2,-0.2 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 146.1 -1.8 21.7 -6.5 2 2 A T + 0 0 90 4,-0.1 2,-0.2 6,-0.0 73,-0.1 -0.764 360.0 114.2-148.2 179.5 -3.1 23.6 -3.7 3 3 A A S S- 0 0 39 71,-0.4 3,-0.1 -2,-0.2 4,-0.1 -0.612 73.8 -81.3-160.9-152.8 -6.9 24.1 -2.9 4 4 A G S S+ 0 0 57 -2,-0.2 2,-0.3 2,-0.2 -1,-0.1 -0.249 103.4 80.4 168.2 20.2 -10.4 24.3 -1.6 5 5 A K S S- 0 0 127 1,-0.3 24,-0.0 24,-0.1 -3,-0.0 -0.956 102.1 -80.1-150.8 116.9 -10.6 20.7 -3.3 6 6 A V - 0 0 78 -2,-0.3 2,-0.3 24,-0.1 -1,-0.3 0.447 60.7-116.3 -6.1 167.9 -9.4 17.4 -1.7 7 7 A I B -A 28 0A 15 21,-1.0 21,-0.5 1,-0.1 -1,-0.1 -0.922 4.5-121.0-136.0 159.9 -5.4 16.9 -2.1 8 8 A K + 0 0 165 -2,-0.3 18,-0.2 19,-0.1 -1,-0.1 0.932 60.1 136.5 -38.6 -89.2 -2.5 14.7 -3.7 9 9 A C - 0 0 2 16,-0.1 17,-2.7 1,-0.1 2,-0.3 0.887 53.6-136.8 28.6 149.3 -0.6 13.5 -0.7 10 10 A K + 0 0 81 15,-0.3 15,-0.2 17,-0.0 -1,-0.1 -0.815 28.4 172.3-122.2 73.7 1.2 10.5 0.9 11 11 A A - 0 0 0 -2,-0.3 2,-0.5 136,-0.2 136,-0.3 -0.302 39.2-111.0 -68.0 174.9 0.3 10.3 4.7 12 12 A A - 0 0 2 134,-0.8 53,-0.4 11,-0.2 11,-0.3 -0.975 27.7-139.4-114.7 108.1 1.6 7.0 6.2 13 13 A V B -D 22 0B 0 9,-1.7 9,-4.6 -2,-0.5 2,-1.0 -0.474 9.0-155.0 -85.6 141.2 -1.1 4.4 7.3 14 14 A L B -E 63 0C 1 49,-0.8 49,-0.9 -2,-0.2 3,-0.2 -0.861 18.1-168.1-105.4 82.0 -0.8 2.4 10.5 15 15 A W - 0 0 52 -2,-1.0 2,-0.1 5,-0.4 -1,-0.1 0.201 55.0 -51.5 -65.7 12.2 -2.9 -0.4 9.2 16 16 A E S S- 0 0 82 3,-0.2 3,-0.4 47,-0.2 -1,-0.3 -0.211 95.8 -9.0 112.7 143.7 -3.3 -2.1 12.6 17 17 A E S S- 0 0 140 1,-0.2 37,-0.2 -3,-0.2 36,-0.1 0.354 112.5 -26.9 -10.1 104.2 -1.2 -3.3 15.4 18 18 A K S S+ 0 0 138 35,-2.0 -1,-0.2 1,-0.2 36,-0.1 0.892 91.3 127.6 36.4 64.1 2.7 -3.5 15.3 19 19 A K - 0 0 113 -3,-0.4 -1,-0.2 1,-0.2 -3,-0.2 -0.892 69.1-103.8-127.2 127.4 2.9 -3.9 11.6 20 20 A P - 0 0 96 0, 0.0 2,-0.4 0, 0.0 -5,-0.4 0.311 52.7 -61.6 -50.9-175.3 5.3 -1.2 10.3 21 21 A F - 0 0 17 -7,-0.1 2,-0.9 -3,-0.1 -7,-0.2 -0.568 36.5-143.5 -82.3 126.5 4.2 2.0 8.6 22 22 A S B -D 13 0B 38 -9,-4.6 -9,-1.7 -2,-0.4 2,-1.4 -0.797 10.5-157.2 -86.5 112.2 2.3 1.9 5.4 23 23 A I + 0 0 55 -2,-0.9 -11,-0.2 -11,-0.3 -1,-0.1 -0.584 39.4 157.8 -94.0 68.7 3.7 4.9 3.6 24 24 A E - 0 0 61 -2,-1.4 2,-0.4 1,-0.1 -1,-0.0 0.406 43.3-103.3 -67.9-166.0 0.6 5.1 1.5 25 25 A E - 0 0 73 -15,-0.2 2,-0.3 2,-0.0 -15,-0.3 -0.993 42.3-173.7-141.6 132.5 -1.2 7.8 -0.6 26 26 A V - 0 0 2 -17,-2.7 2,-0.6 -2,-0.4 106,-0.2 -0.892 29.5-126.8-140.6 169.4 -4.2 9.5 0.6 27 27 A E E - B 0 131A 74 104,-2.0 104,-2.6 -2,-0.3 2,-0.5 -0.843 23.2-176.7-124.2 100.2 -7.0 11.7 0.1 28 28 A V E -AB 7 130A 0 -2,-0.6 -21,-1.0 -21,-0.5 102,-0.2 -0.834 23.9-128.6 -85.2 114.9 -7.6 14.5 2.6 29 29 A A - 0 0 31 100,-0.6 -24,-0.1 -2,-0.5 3,-0.1 -0.125 31.5 -96.0 -62.7 164.1 -10.6 16.7 2.2 30 30 A P - 0 0 39 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.456 65.2 -71.7 -66.7 155.2 -10.4 20.5 2.1 31 31 A P - 0 0 15 0, 0.0 3,-0.2 0, 0.0 4,-0.1 -0.457 50.7-145.1 -61.1 109.5 -11.1 22.0 5.6 32 32 A K > - 0 0 107 -2,-0.4 3,-1.1 1,-0.2 2,-0.4 0.470 52.3 -41.5 -56.3-161.5 -14.7 21.8 6.7 33 33 A A T 3 S+ 0 0 44 1,-0.3 -1,-0.2 44,-0.2 46,-0.1 -0.639 129.7 2.3 -78.1 126.6 -16.3 24.5 8.7 34 34 A H T 3 S+ 0 0 101 44,-1.7 120,-0.7 -2,-0.4 -1,-0.3 0.712 109.0 109.3 71.7 26.4 -14.2 25.9 11.5 35 35 A E E < -G 153 0D 5 -3,-1.1 42,-1.1 118,-0.2 118,-0.2 -0.332 55.5-141.9-118.4-164.5 -11.1 23.6 10.6 36 36 A V E -G 152 0D 0 116,-0.7 116,-1.0 40,-0.2 40,-0.2 -0.619 6.3-143.1-164.1 103.6 -7.7 24.3 9.1 37 37 A R E -G 151 0D 0 -2,-0.2 37,-2.1 114,-0.2 38,-1.0 -0.527 22.8-166.0 -74.3 141.7 -5.6 22.3 6.6 38 38 A I E -GH 150 73D 0 112,-2.3 112,-2.6 35,-0.3 2,-0.8 -0.968 19.6-143.7-125.6 138.9 -1.9 22.4 7.3 39 39 A K E -GH 149 72D 97 33,-2.2 33,-1.0 -2,-0.4 110,-0.3 -0.939 34.4-132.4 -98.6 106.0 1.0 21.3 5.0 40 40 A M E - H 0 71D 4 -2,-0.8 31,-0.2 108,-0.6 3,-0.1 0.026 28.8-179.0 -52.2 170.9 3.5 19.8 7.5 41 41 A V E + 0 0 31 29,-1.2 333,-2.3 1,-0.4 2,-0.3 0.391 68.5 0.4-136.3 -33.0 7.2 20.7 7.4 42 42 A A E -IH 373 70D 0 28,-1.1 28,-1.8 331,-0.2 -1,-0.4 -0.980 54.7-176.7-163.2 151.9 8.4 18.4 10.3 43 43 A T E -IH 372 69D 0 329,-1.3 329,-4.1 -2,-0.3 2,-0.3 -0.990 16.0-134.9-151.8 155.2 7.5 15.9 13.0 44 44 A G E -IH 371 68D 0 24,-3.8 2,-1.0 -2,-0.3 24,-0.5 -0.789 19.9-121.4-115.1 155.2 8.9 13.9 15.8 45 45 A I - 0 0 4 325,-1.7 325,-0.3 -2,-0.3 2,-0.3 -0.865 35.9-179.9 -93.5 95.7 8.7 10.4 16.9 46 46 A C > - 0 0 10 -2,-1.0 3,-0.6 323,-0.1 4,-0.4 -0.592 34.6-125.8 -90.8 154.9 7.4 10.6 20.3 47 47 A R G >> S+ 0 0 112 -2,-0.3 4,-1.7 1,-0.2 3,-0.6 0.695 101.8 80.7 -80.2 -17.3 6.9 7.3 22.0 48 48 A S G 34 S+ 0 0 35 1,-0.3 -1,-0.2 2,-0.2 9,-0.1 0.818 94.5 51.7 -54.4 -24.0 3.4 8.1 22.7 49 49 A D G X> S+ 0 0 0 -3,-0.6 3,-2.0 2,-0.2 4,-1.7 0.793 97.6 62.1 -75.1 -48.1 2.9 7.1 19.1 50 50 A D T <4 S+ 0 0 23 -3,-0.6 4,-0.4 -4,-0.4 -2,-0.2 0.778 93.2 69.0 -54.4 -44.5 4.7 3.8 19.5 51 51 A H T 3< S+ 0 0 34 -4,-1.7 6,-4.4 1,-0.2 -1,-0.3 0.347 101.8 42.9 -58.9 -8.2 2.0 2.9 22.0 52 52 A V T X4 S+ 0 0 7 -3,-2.0 3,-1.4 2,-0.2 -2,-0.2 0.810 105.2 59.5-105.7 -39.9 -0.5 2.7 19.2 53 53 A V T 3< S+ 0 0 3 -4,-1.7 -35,-2.0 1,-0.3 -2,-0.2 0.700 116.7 45.5 -50.3 -16.6 1.8 0.9 16.9 54 54 A S T 3 S- 0 0 39 -4,-0.4 2,-1.4 -5,-0.2 -1,-0.3 0.340 102.9-112.0-120.1 16.7 1.5 -1.5 19.9 55 55 A G S < S+ 0 0 39 -3,-1.4 -4,-0.1 2,-0.3 -2,-0.1 -0.252 96.4 98.9 84.8 -47.2 -1.8 -2.3 21.6 56 56 A T S S+ 0 0 36 -2,-1.4 2,-0.7 1,-0.1 -4,-0.2 0.848 80.8 44.0 -44.0 -57.9 -0.5 -0.3 24.6 57 57 A L S S- 0 0 32 -6,-4.4 -2,-0.3 -9,-0.1 2,-0.3 -0.863 85.7-145.2 -91.0 110.2 -2.4 3.0 23.8 58 58 A V + 0 0 115 -2,-0.7 -6,-0.1 -4,-0.1 -2,-0.0 -0.671 41.4 140.1 -74.7 136.7 -6.0 2.0 22.7 59 59 A T - 0 0 12 -2,-0.3 -4,-0.1 -7,-0.1 61,-0.1 -0.739 58.9 -81.7-171.1 137.4 -7.2 4.5 19.9 60 60 A P - 0 0 38 0, 0.0 78,-0.1 0, 0.0 60,-0.1 -0.189 55.0 -96.2 -59.2 138.7 -9.2 3.4 16.9 61 61 A L S S+ 0 0 38 76,-0.1 2,-0.2 -46,-0.1 -46,-0.1 -0.793 94.8 35.8-111.4 152.6 -7.8 1.8 13.8 62 62 A P S S+ 0 0 18 0, 0.0 76,-3.0 0, 0.0 2,-0.3 0.663 86.0 154.9 -76.1 155.2 -6.8 2.5 11.1 63 63 A V B -Ef 14 138C 1 -49,-0.9 -49,-0.8 74,-0.2 2,-0.7 -0.976 48.8-114.8-150.9 148.7 -5.5 5.8 12.3 64 64 A I - 0 0 0 74,-1.6 76,-0.2 -2,-0.3 81,-0.2 -0.818 38.6-153.3 -93.9 121.2 -2.9 8.4 11.3 65 65 A A + 0 0 3 -2,-0.7 81,-1.8 -53,-0.4 -53,-0.2 -0.129 48.0 85.3 -77.2-178.0 -0.2 8.5 14.1 66 66 A G + 0 0 0 79,-0.3 79,-2.0 78,-0.2 78,-1.1 0.476 27.5 173.0 88.3 139.7 2.0 11.4 15.0 67 67 A H + 0 0 5 -23,-0.4 2,-0.7 77,-0.2 26,-0.3 0.281 62.2 83.9-144.5 -1.0 1.1 14.4 17.3 68 68 A E E +H 44 0D 0 -24,-0.5 -24,-3.8 24,-0.1 2,-0.3 -0.772 65.1 112.7-115.3 88.0 4.4 16.1 17.5 69 69 A A E -H 43 0D 1 -2,-0.7 2,-0.5 22,-0.3 -26,-0.2 -0.995 54.2-132.1-155.1 165.2 4.9 18.4 14.6 70 70 A A E -H 42 0D 0 -28,-1.8 -29,-1.2 -2,-0.3 -28,-1.1 -0.967 32.4-179.4-120.3 116.2 5.3 21.9 13.1 71 71 A G E -HJ 40 89D 0 18,-1.5 18,-2.6 -2,-0.5 2,-0.3 -0.295 29.0-132.1 -99.6-179.7 3.2 22.9 10.1 72 72 A I E -HJ 39 88D 59 -33,-1.0 -33,-2.2 16,-0.3 16,-0.3 -0.937 40.2-117.8-134.5 105.7 2.6 25.9 7.7 73 73 A V E +H 38 0D 2 14,-3.0 13,-0.7 -2,-0.3 -35,-0.3 0.005 34.9 174.5 -47.9 164.7 -1.2 26.5 7.3 74 74 A E + 0 0 26 -37,-2.1 -71,-0.4 1,-0.6 2,-0.3 0.319 60.4 12.2-156.5 3.9 -2.7 26.2 3.7 75 75 A S - 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