==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE (CH-OH(D)-NAD(A)) 29-SEP-95 1CDO . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GADUS CALLARIAS; . AUTHOR H.EKLUND . 748 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29020.0 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 . 74 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 13.0 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 . 0 0.0 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 . 40 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 3.3 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 2 1 1 1 7 2 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 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 . 5 5 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 2 0 2 0 2 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 A 0 0 121 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -10.1 45.5 1.2 -1.0 2 2 A T > + 0 0 49 73,-0.1 3,-2.1 5,-0.0 74,-0.1 0.559 360.0 119.8-117.0 -17.2 45.8 3.1 2.3 3 3 A V T 3 S+ 0 0 96 1,-0.3 3,-0.1 72,-0.1 73,-0.1 -0.235 84.0 12.5 -55.7 133.0 44.9 0.4 4.8 4 4 A G T 3 S+ 0 0 67 1,-0.3 2,-0.3 27,-0.0 -1,-0.3 0.471 113.4 98.5 78.1 4.1 47.8 -0.3 7.3 5 5 A K S < S- 0 0 127 -3,-2.1 -1,-0.3 24,-0.1 2,-0.2 -0.859 81.0-106.6-123.8 155.7 49.6 2.8 6.1 6 6 A V - 0 0 76 -2,-0.3 2,-0.4 -3,-0.1 23,-0.2 -0.557 40.4-135.3 -74.6 141.7 50.0 6.3 7.4 7 7 A I E -A 28 0A 8 21,-2.8 21,-3.4 -2,-0.2 2,-0.5 -0.868 10.8-155.8-107.0 136.8 48.0 8.7 5.2 8 8 A K E +A 27 0A 140 -2,-0.4 2,-0.3 19,-0.2 19,-0.2 -0.937 37.3 140.3-106.0 129.2 49.3 12.1 3.9 9 9 A C E -A 26 0A 6 17,-2.3 17,-2.8 -2,-0.5 2,-0.4 -0.941 50.9 -78.8-158.1 177.9 46.4 14.4 3.1 10 10 A K E +A 25 0A 62 -2,-0.3 139,-2.2 15,-0.2 2,-0.3 -0.757 44.8 163.7 -92.0 139.3 45.1 18.0 3.3 11 11 A A E -AB 24 148A 0 13,-2.4 13,-3.0 -2,-0.4 2,-0.8 -0.983 41.0-116.8-150.8 146.2 43.7 19.5 6.5 12 12 A A E -A 23 0A 0 135,-2.6 54,-0.5 -2,-0.3 2,-0.4 -0.830 40.0-164.7 -88.1 109.9 42.9 23.1 7.7 13 13 A V E -A 22 0A 0 9,-2.6 9,-2.3 -2,-0.8 2,-0.8 -0.828 18.2-153.5-103.3 135.3 45.3 23.6 10.6 14 14 A A B -E 64 0B 1 50,-3.1 50,-2.5 -2,-0.4 7,-0.1 -0.896 10.0-173.7-105.7 100.5 45.0 26.4 13.2 15 15 A W - 0 0 39 -2,-0.8 2,-0.3 5,-0.3 -1,-0.1 0.759 68.3 -6.7 -65.5 -30.2 48.6 26.9 14.5 16 16 A E S > S- 0 0 99 4,-0.1 3,-1.0 46,-0.1 -1,-0.1 -0.975 87.2 -74.1-159.4 166.6 47.5 29.3 17.2 17 17 A A T 3 S+ 0 0 21 -2,-0.3 37,-0.2 1,-0.2 36,-0.1 -0.130 108.5 16.2 -62.6 161.2 44.5 31.3 18.4 18 18 A N T 3 S+ 0 0 100 35,-3.0 -1,-0.2 1,-0.1 36,-0.1 0.499 99.1 116.0 51.9 13.6 43.2 34.3 16.6 19 19 A K S < S- 0 0 98 -3,-1.0 -1,-0.1 34,-0.1 -3,-0.1 -0.778 73.0-101.8-110.8 149.7 45.1 33.4 13.4 20 20 A P - 0 0 95 0, 0.0 -5,-0.3 0, 0.0 -4,-0.1 -0.395 46.8-103.1 -65.7 150.1 43.7 32.5 10.0 21 21 A L - 0 0 9 -7,-0.1 2,-0.4 -6,-0.1 -7,-0.2 -0.390 29.7-143.7 -73.8 155.3 43.7 28.8 9.2 22 22 A V E -A 13 0A 63 -9,-2.3 -9,-2.6 -2,-0.1 2,-0.6 -0.977 13.2-128.1-125.7 126.6 46.3 27.2 6.8 23 23 A I E +A 12 0A 52 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.627 44.5 174.3 -72.8 115.1 45.7 24.4 4.4 24 24 A E E -A 11 0A 33 -13,-3.0 -13,-2.4 -2,-0.6 2,-0.6 -0.821 38.7-117.8-122.5 162.8 48.5 21.9 5.3 25 25 A E E +A 10 0A 96 -2,-0.3 109,-0.3 -15,-0.2 2,-0.3 -0.928 44.2 179.1-100.1 117.2 49.5 18.4 4.3 26 26 A I E -A 9 0A 1 -17,-2.8 -17,-2.3 -2,-0.6 2,-0.5 -0.751 28.9-119.6-115.2 167.4 49.3 16.3 7.5 27 27 A E E -AC 8 132A 98 105,-2.6 105,-1.7 -2,-0.3 2,-0.6 -0.917 20.4-156.3-108.5 130.4 50.0 12.7 8.3 28 28 A V E -AC 7 131A 0 -21,-3.4 -21,-2.8 -2,-0.5 103,-0.2 -0.962 17.6-137.2-110.3 117.2 47.1 10.7 9.7 29 29 A D - 0 0 58 101,-2.4 -24,-0.1 -2,-0.6 101,-0.1 -0.159 30.3 -86.7 -67.9 167.4 48.2 7.7 11.7 30 30 A V - 0 0 44 1,-0.1 -1,-0.1 -26,-0.1 2,-0.1 -0.539 56.1 -90.6 -75.1 145.3 46.6 4.2 11.4 31 31 A P - 0 0 16 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.342 42.4-146.2 -61.6 128.2 43.6 3.7 13.7 32 32 A H > - 0 0 62 1,-0.2 3,-1.8 46,-0.2 46,-0.2 -0.066 50.2 -38.3 -79.9-171.6 44.5 2.2 17.1 33 33 A A T 3 S+ 0 0 55 1,-0.3 -1,-0.2 45,-0.2 47,-0.2 -0.211 130.9 2.9 -53.9 134.9 42.3 -0.2 19.1 34 34 A N T 3 S+ 0 0 67 45,-3.0 121,-2.9 1,-0.2 122,-0.3 0.657 104.9 127.3 61.0 22.1 38.6 0.6 18.9 35 35 A E E < -G 154 0C 25 -3,-1.8 43,-2.9 119,-0.3 2,-0.4 -0.745 48.3-147.3-110.4 158.2 39.1 3.4 16.4 36 36 A I E -GH 153 77C 0 117,-2.8 117,-2.4 -2,-0.3 2,-0.6 -0.971 5.9-149.2-123.8 131.3 37.7 4.3 13.0 37 37 A R E -GH 152 76C 0 39,-2.8 38,-3.0 -2,-0.4 39,-1.4 -0.933 25.9-167.7-101.2 123.6 39.6 6.1 10.2 38 38 A I E -GH 151 74C 0 113,-2.9 113,-2.2 -2,-0.6 2,-0.8 -0.923 25.3-140.1-120.5 134.8 37.1 8.1 8.1 39 39 A K E -GH 150 73C 73 34,-2.5 34,-1.7 -2,-0.4 2,-0.5 -0.808 30.4-139.3 -88.8 110.2 37.2 9.9 4.8 40 40 A I E + H 0 72C 2 109,-2.2 32,-0.2 -2,-0.8 3,-0.1 -0.622 25.6 177.4 -76.3 122.1 35.3 13.1 5.4 41 41 A I E + 0 0 45 30,-2.0 333,-0.6 -2,-0.5 2,-0.3 0.734 68.2 1.5 -93.7 -29.1 33.0 14.0 2.4 42 42 A A E -IH 373 71C 0 29,-1.3 29,-1.7 331,-0.2 -1,-0.3 -0.979 58.0-175.9-160.2 147.2 31.4 17.1 3.9 43 43 A T E -IH 372 70C 0 329,-1.2 329,-2.7 -2,-0.3 27,-0.3 -0.982 16.1-141.9-150.4 131.2 31.5 19.3 7.0 44 44 A G E -I 371 0C 0 25,-2.5 2,-0.5 -2,-0.3 24,-0.4 -0.398 23.9-118.9 -82.6 170.1 29.5 22.3 8.2 45 45 A V - 0 0 0 325,-1.1 325,-0.3 -2,-0.1 2,-0.3 -0.965 30.4-165.4-112.9 125.7 31.1 25.1 10.2 46 46 A C >> - 0 0 6 -2,-0.5 3,-1.0 323,-0.1 4,-0.9 -0.759 31.2-118.8-108.7 159.0 29.6 25.7 13.7 47 47 A H H 3> S+ 0 0 81 -2,-0.3 4,-2.2 1,-0.2 -1,-0.1 0.727 110.9 68.1 -67.8 -21.3 30.0 28.7 16.0 48 48 A T H 3> S+ 0 0 35 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.802 93.6 58.4 -67.0 -26.5 31.7 26.5 18.6 49 49 A D H <> S+ 0 0 0 -3,-1.0 4,-1.6 1,-0.2 -1,-0.2 0.936 109.0 45.0 -66.4 -42.5 34.6 26.2 16.1 50 50 A L H X>S+ 0 0 4 -4,-0.9 4,-3.5 1,-0.2 5,-0.7 0.893 103.9 64.2 -67.6 -40.6 34.9 30.0 16.2 51 51 A Y H X>S+ 0 0 10 -4,-2.2 5,-2.6 1,-0.2 4,-1.6 0.911 106.8 41.6 -49.2 -50.6 34.6 30.1 20.1 52 52 A H H <>S+ 0 0 1 -4,-1.5 5,-1.5 3,-0.2 -1,-0.2 0.936 119.3 45.7 -63.7 -45.9 37.8 28.2 20.6 53 53 A L H <5S+ 0 0 2 -4,-1.6 -35,-3.0 -5,-0.2 -2,-0.2 0.835 133.5 12.3 -67.3 -37.9 39.7 30.1 17.9 54 54 A F H <5S+ 0 0 46 -4,-3.5 -3,-0.2 -37,-0.2 -2,-0.2 0.751 133.6 28.7-112.7 -36.5 38.5 33.6 18.8 55 55 A E T < - 0 0 61 64,-0.2 3,-2.0 1,-0.2 -1,-0.2 -0.282 12.8-136.6 -53.6 126.5 42.9 28.0 25.6 59 59 A K T 3 S+ 0 0 192 1,-0.3 3,-0.5 -3,-0.2 -1,-0.2 0.716 100.2 49.0 -60.9 -28.0 46.7 28.2 25.3 60 60 A D T 3 S+ 0 0 125 1,-0.2 -1,-0.3 62,-0.1 63,-0.1 0.430 94.8 79.4 -91.9 1.4 47.3 24.5 25.5 61 61 A G S < S+ 0 0 0 -3,-2.0 -1,-0.2 61,-0.1 -2,-0.1 0.120 77.2 124.4 -95.9 21.1 44.7 23.8 22.8 62 62 A F + 0 0 31 -3,-0.5 -47,-0.1 1,-0.1 2,-0.1 -0.953 42.4 41.9-135.9 150.1 46.9 24.7 19.8 63 63 A P S S+ 0 0 13 0, 0.0 76,-2.0 0, 0.0 2,-0.3 0.587 85.1 154.6 -74.3 156.5 47.9 23.8 17.2 64 64 A V E -Ef 14 139B 0 -50,-2.5 -50,-3.1 74,-0.2 2,-0.6 -0.996 48.5-132.9-154.7 152.4 44.6 22.1 16.2 65 65 A V E - f 0 140B 0 74,-2.3 76,-2.1 -2,-0.3 80,-0.2 -0.954 35.8-156.3-104.7 114.8 42.4 20.9 13.3 66 66 A L + 0 0 1 -2,-0.6 81,-2.1 -54,-0.5 -54,-0.1 -0.091 38.8 104.3 -79.2-175.1 38.8 22.2 14.1 67 67 A G + 0 0 0 79,-0.2 79,-1.3 78,-0.2 78,-0.3 0.292 19.5 168.7 107.0 128.4 35.6 20.7 12.8 68 68 A H + 0 0 2 -24,-0.4 26,-0.2 77,-0.2 -23,-0.1 0.044 63.2 74.9-159.8 33.3 32.8 18.6 14.4 69 69 A E + 0 0 0 -25,-0.3 -25,-2.5 106,-0.1 2,-0.2 -0.351 68.8 122.3-146.8 54.5 29.8 18.5 12.0 70 70 A G E -H 43 0C 0 -27,-0.3 2,-0.3 22,-0.2 -27,-0.2 -0.521 43.1-151.6-115.0-179.5 30.8 16.2 9.2 71 71 A A E +H 42 0C 0 -29,-1.7 -30,-2.0 -2,-0.2 -29,-1.3 -0.969 27.8 144.8-152.2 137.5 29.8 13.0 7.5 72 72 A G E -HJ 40 90C 0 18,-2.6 18,-2.9 -2,-0.3 2,-0.4 -0.812 42.2 -83.5-154.7-164.3 31.8 10.3 5.7 73 73 A I E -HJ 39 89C 56 -34,-1.7 -34,-2.5 -2,-0.2 16,-0.2 -0.950 45.1-108.7-120.2 133.9 32.7 6.8 4.6 74 74 A V E -H 38 0C 3 14,-2.4 13,-2.5 -2,-0.4 -36,-0.2 -0.410 32.0-179.9 -62.5 134.6 34.7 4.3 6.7 75 75 A E E - 0 0 22 -38,-3.0 2,-0.3 1,-0.5 -37,-0.2 0.758 64.0 -23.8-103.6 -42.2 38.2 3.8 5.3 76 76 A S E -H 37 0C 5 -39,-1.4 -39,-2.8 9,-0.1 -1,-0.5 -0.965 58.6-134.6-166.0 157.3 39.6 1.3 7.8 77 77 A V E -H 36 0C 48 -2,-0.3 -41,-0.2 -41,-0.2 3,-0.1 -0.913 16.8-123.8-123.4 151.1 39.1 0.1 11.4 78 78 A G > - 0 0 6 -43,-2.9 3,-1.2 -2,-0.3 -45,-0.2 -0.295 50.5 -66.3 -83.0 172.3 41.4 -0.6 14.3 79 79 A P T 3 S+ 0 0 91 0, 0.0 -45,-3.0 0, 0.0 -44,-0.2 -0.174 118.7 33.9 -57.8 153.4 41.5 -3.9 16.2 80 80 A G T 3 S+ 0 0 60 1,-0.2 2,-0.5 -47,-0.2 -2,-0.1 0.473 87.8 125.1 81.0 2.2 38.5 -4.8 18.3 81 81 A V < + 0 0 17 -3,-1.2 -1,-0.2 1,-0.1 -4,-0.1 -0.845 14.1 146.1-101.8 126.7 36.1 -3.2 15.8 82 82 A T + 0 0 141 -2,-0.5 -1,-0.1 -3,-0.1 -2,-0.0 0.468 63.0 68.8-129.4 -12.5 33.2 -5.3 14.4 83 83 A E S S+ 0 0 73 1,-0.0 2,-0.3 2,-0.0 -2,-0.1 0.822 98.9 50.5 -79.1 -34.2 30.4 -2.8 14.0 84 84 A F + 0 0 6 76,-0.0 -7,-0.1 4,-0.0 -1,-0.0 -0.848 59.7 176.4-111.1 146.2 32.0 -0.8 11.2 85 85 A Q > - 0 0 125 -2,-0.3 3,-1.6 -9,-0.1 -11,-0.3 -0.964 44.3 -72.8-141.3 151.8 33.5 -1.9 7.9 86 86 A P T 3 S+ 0 0 83 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.117 113.4 26.5 -46.7 134.5 35.0 -0.0 4.9 87 87 A G T 3 S+ 0 0 52 -13,-2.5 2,-0.2 1,-0.3 -12,-0.1 0.295 86.7 128.5 95.4 -10.1 32.6 1.8 2.6 88 88 A E < - 0 0 47 -3,-1.6 -14,-2.4 1,-0.1 2,-0.4 -0.545 61.7-114.9 -82.5 147.0 29.8 2.3 5.2 89 89 A K E +J 73 0C 51 72,-0.4 72,-2.6 -16,-0.2 2,-0.3 -0.662 44.4 167.1 -83.1 131.2 28.4 5.8 5.8 90 90 A V E -JK 72 160C 0 -18,-2.9 -18,-2.6 -2,-0.4 70,-0.2 -0.890 32.0-145.0-140.2 168.9 29.0 7.4 9.2 91 91 A I E - K 0 159C 0 68,-2.2 68,-2.4 -2,-0.3 -20,-0.2 -0.975 23.3-137.9-137.2 113.7 28.8 10.6 11.3 92 92 A P E - K 0 158C 1 0, 0.0 2,-0.4 0, 0.0 66,-0.2 -0.359 20.8-142.9 -69.1 156.9 31.4 11.3 13.9 93 93 A L - 0 0 3 64,-2.9 82,-0.1 50,-0.1 -24,-0.1 -0.963 18.5-144.6-127.9 145.0 30.2 12.7 17.3 94 94 A F S S+ 0 0 31 80,-0.5 2,-0.3 -2,-0.4 22,-0.1 0.460 90.0 52.6 -84.0 -1.1 31.7 15.2 19.8 95 95 A I S S- 0 0 21 62,-0.1 2,-0.2 21,-0.1 20,-0.1 -0.969 82.9-123.4-132.0 150.4 30.2 13.3 22.8 96 96 A S - 0 0 17 18,-0.5 61,-0.2 -2,-0.3 228,-0.2 -0.496 15.9-169.9 -96.7 161.7 30.6 9.6 23.7 97 97 A Q + 0 0 27 59,-1.1 61,-0.1 -2,-0.2 15,-0.1 -0.622 11.3 170.3-147.3 78.2 28.3 6.7 24.3 98 98 A C - 0 0 34 -2,-0.1 14,-0.1 1,-0.1 59,-0.1 0.623 34.8-144.1 -65.6 -15.9 30.2 3.7 25.8 99 99 A G S S+ 0 0 38 1,-0.1 -1,-0.1 57,-0.1 13,-0.0 0.420 81.0 73.8 67.7 -2.9 26.9 2.0 26.5 100 100 A E S S+ 0 0 157 5,-0.0 -1,-0.1 4,-0.0 2,-0.1 0.625 72.4 87.0-116.8 -14.8 28.2 0.4 29.7 101 101 A C S > S- 0 0 18 1,-0.1 4,-1.5 4,-0.0 3,-0.1 -0.323 88.5-100.9 -83.3 170.1 28.4 3.2 32.4 102 102 A R H > S+ 0 0 109 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.784 120.4 50.3 -57.9 -33.6 25.7 4.4 34.7 103 103 A F H >4 S+ 0 0 8 2,-0.2 3,-0.7 1,-0.2 6,-0.4 0.906 108.6 49.4 -74.6 -41.5 24.9 7.5 32.5 104 104 A C H 34 S+ 0 0 14 1,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.767 109.6 55.2 -67.2 -28.8 24.6 5.6 29.2 105 105 A Q H 3< S+ 0 0 126 -4,-1.5 -1,-0.2 2,-0.0 -2,-0.2 0.656 93.0 84.7 -80.0 -16.9 22.3 3.2 30.9 106 106 A S X< - 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