==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-NOV-01 1KB0 . COMPND 2 MOLECULE: QUINOHEMOPROTEIN ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COMAMONAS TESTOSTERONI; . AUTHOR H.J.ROZEBOOM,A.OUBRIE . 670 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23602.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 416 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 166 24.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 46 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 3 2 2 1 0 0 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 6 5 11 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 5 3 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 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 T > 0 0 155 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-102.9 13.6 49.6 57.8 2 2 A G H > + 0 0 34 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.920 360.0 51.7 -67.5 -46.3 10.6 47.5 56.9 3 3 A P H > S+ 0 0 38 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.915 109.6 48.3 -59.3 -45.0 10.8 48.9 53.4 4 4 A A H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.914 113.8 45.7 -63.9 -42.6 14.5 48.0 53.0 5 5 A A H X S+ 0 0 64 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.869 112.6 50.9 -68.2 -35.5 14.0 44.4 54.2 6 6 A Q H X S+ 0 0 58 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.920 110.9 50.5 -65.6 -39.7 10.9 44.0 52.0 7 7 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 5,-0.3 0.924 110.2 48.1 -64.6 -44.9 13.0 45.2 49.1 8 8 A A H X S+ 0 0 37 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.950 116.2 43.8 -61.4 -48.4 15.8 42.8 49.8 9 9 A A H X S+ 0 0 58 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.901 114.4 49.3 -64.4 -41.7 13.5 39.9 50.1 10 10 A A H >< S+ 0 0 2 -4,-3.0 3,-0.7 1,-0.2 4,-0.3 0.949 115.5 40.8 -64.4 -49.9 11.3 40.8 47.1 11 11 A V H >< S+ 0 0 0 -4,-2.5 118,-2.1 1,-0.2 3,-1.3 0.783 104.6 66.6 -73.3 -28.1 14.2 41.3 44.7 12 12 A Q H 3< S+ 0 0 110 -4,-2.0 -1,-0.2 116,-0.4 116,-0.2 0.847 97.3 57.5 -57.8 -31.5 16.1 38.3 46.0 13 13 A R T << S+ 0 0 128 -4,-0.9 2,-0.6 -3,-0.7 -1,-0.2 0.638 81.3 108.5 -75.2 -11.9 13.2 36.2 44.6 14 14 A V < + 0 0 0 -3,-1.3 114,-3.1 -4,-0.3 2,-0.3 -0.547 38.6 116.1 -79.4 115.7 13.7 37.5 41.0 15 15 A D S > S- 0 0 44 -2,-0.6 4,-2.2 112,-0.2 5,-0.2 -0.846 79.1 -74.8-154.3-176.4 15.1 35.0 38.6 16 16 A G H > S+ 0 0 9 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.878 128.5 50.8 -58.5 -40.6 13.8 33.2 35.5 17 17 A D H > S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.899 109.7 51.9 -65.6 -36.1 11.6 30.8 37.3 18 18 A F H > S+ 0 0 24 2,-0.2 4,-1.9 -5,-0.2 -2,-0.2 0.922 107.1 51.5 -65.2 -45.3 10.0 33.7 39.1 19 19 A I H < S+ 0 0 9 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.898 113.5 46.0 -60.6 -37.9 9.3 35.7 36.0 20 20 A R H >< S+ 0 0 112 -4,-2.0 3,-1.5 1,-0.2 4,-0.4 0.916 110.4 51.4 -68.7 -44.2 7.6 32.6 34.5 21 21 A A H >< S+ 0 0 73 -4,-2.6 3,-0.7 1,-0.2 4,-0.3 0.824 99.2 67.1 -64.6 -27.0 5.6 31.8 37.6 22 22 A N G >X S+ 0 0 10 -4,-1.9 4,-2.5 1,-0.2 3,-0.6 0.687 84.5 79.6 -72.1 -1.3 4.4 35.5 37.6 23 23 A A G <4 S+ 0 0 38 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.864 76.8 63.9 -72.2 -43.6 2.5 34.7 34.4 24 24 A A G <4 S- 0 0 69 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.1 0.807 132.3 -4.9 -58.5 -23.6 -0.6 33.0 35.7 25 25 A R T <4 S- 0 0 183 -3,-0.6 -2,-0.2 -4,-0.3 -1,-0.2 0.499 79.5-141.9-150.2 -6.5 -1.8 36.0 37.6 26 26 A T < + 0 0 1 -4,-2.5 18,-0.2 -5,-0.2 -3,-0.1 0.843 36.2 158.9 36.8 56.8 0.8 38.9 37.3 27 27 A P + 0 0 51 0, 0.0 501,-3.0 0, 0.0 2,-0.2 0.809 69.2 45.2 -72.1 -25.0 0.6 40.3 40.8 28 28 A D S S- 0 0 12 499,-0.2 48,-0.2 -6,-0.2 498,-0.1 -0.694 71.4-144.4-111.3 164.8 4.0 41.8 40.2 29 29 A W B +A 75 0A 0 46,-2.8 46,-2.3 -2,-0.2 6,-0.1 -0.743 31.6 169.0-124.8 81.5 5.6 43.7 37.2 30 30 A P + 0 0 1 0, 0.0 96,-0.4 0, 0.0 2,-0.3 0.616 58.5 35.1 -76.6 -15.6 9.1 42.2 37.5 31 31 A T S > S- 0 0 23 3,-0.1 3,-2.3 42,-0.1 44,-0.1 -0.896 92.2-104.8-132.0 161.4 10.6 43.4 34.2 32 32 A I T 3 S+ 0 0 10 -2,-0.3 93,-0.1 92,-0.3 -1,-0.0 0.816 126.4 40.8 -60.0 -26.3 10.0 46.6 32.3 33 33 A G T 3 S- 0 0 0 2,-0.2 7,-2.2 1,-0.0 2,-1.4 0.161 112.4-119.0-104.5 16.3 7.9 44.5 29.8 34 34 A V S < S+ 0 0 1 -3,-2.3 2,-0.2 6,-0.2 -3,-0.1 -0.353 87.9 21.9 74.0 -45.4 6.2 42.3 32.5 35 35 A D S > S- 0 0 24 -2,-1.4 3,-0.9 -5,-0.1 -2,-0.2 -0.750 93.9 -90.8-137.6 179.0 7.7 39.1 31.1 36 36 A Y T 3 S+ 0 0 21 1,-0.2 214,-1.6 -2,-0.2 -2,-0.1 0.811 125.2 54.5 -65.7 -29.3 10.5 37.9 28.9 37 37 A A T 3 S- 0 0 21 212,-0.2 280,-2.0 279,-0.1 -1,-0.2 0.611 104.5-136.3 -73.8 -13.5 8.4 38.2 25.7 38 38 A E < + 0 0 9 -3,-0.9 -4,-0.1 278,-0.2 -2,-0.1 0.858 47.8 155.3 52.8 49.1 7.8 41.9 26.8 39 39 A T - 0 0 13 2,-0.1 361,-2.5 360,-0.1 -5,-0.2 0.778 42.4-144.2 -70.8 -25.8 4.1 41.7 26.0 40 40 A R + 0 0 13 -7,-2.2 445,-2.0 1,-0.2 2,-0.5 0.839 53.4 138.3 56.8 37.8 3.3 44.5 28.5 41 41 A Y E -e 485 0B 9 -8,-0.4 2,-0.4 443,-0.2 -1,-0.2 -0.953 41.5-156.4-114.6 121.8 0.1 42.7 29.3 42 42 A S E -e 486 0B 0 443,-2.4 445,-2.1 -2,-0.5 446,-0.2 -0.836 11.8-153.3 -97.2 139.5 -1.2 42.3 32.8 43 43 A R + 0 0 71 -2,-0.4 2,-0.2 443,-0.2 -1,-0.1 0.479 62.8 114.7 -86.0 -2.1 -3.5 39.5 33.6 44 44 A L + 0 0 17 -18,-0.2 444,-0.6 1,-0.1 443,-0.3 -0.476 35.7 172.9 -70.8 137.2 -5.0 41.6 36.5 45 45 A D + 0 0 101 442,-0.2 -1,-0.1 -2,-0.2 441,-0.0 0.163 46.7 106.2-132.3 21.6 -8.6 42.6 36.0 46 46 A Q S S+ 0 0 75 1,-0.1 2,-0.6 2,-0.0 5,-0.1 0.921 85.4 53.9 -63.7 -42.7 -9.6 44.2 39.3 47 47 A I S S+ 0 0 0 487,-0.1 2,-0.2 3,-0.0 443,-0.2 -0.856 86.8 157.9 -88.0 121.8 -9.5 47.5 37.3 48 48 A N >> - 0 0 52 -2,-0.6 4,-2.0 441,-0.1 3,-0.8 -0.797 57.3 -83.4-138.5-178.4 -11.8 46.8 34.3 49 49 A A T 34 S+ 0 0 33 439,-1.3 4,-0.3 -2,-0.2 440,-0.1 0.807 122.8 52.3 -63.0 -27.6 -13.9 48.6 31.7 50 50 A A T 34 S+ 0 0 81 1,-0.2 -1,-0.2 438,-0.1 -3,-0.0 0.739 122.0 26.3 -80.2 -25.3 -16.8 49.0 34.1 51 51 A N T X4 S+ 0 0 41 -3,-0.8 3,-2.4 2,-0.1 -2,-0.2 0.439 88.8 96.6-117.7 -1.4 -15.0 50.6 37.0 52 52 A V G >< S+ 0 0 0 -4,-2.0 3,-2.1 1,-0.3 -3,-0.1 0.806 74.7 71.3 -62.7 -23.9 -12.0 52.3 35.4 53 53 A K G 3 S+ 0 0 137 1,-0.3 -1,-0.3 -4,-0.3 460,-0.1 0.716 92.7 59.4 -60.4 -16.8 -14.0 55.5 35.5 54 54 A D G < S+ 0 0 94 -3,-2.4 512,-2.9 458,-0.1 -1,-0.3 0.230 75.0 129.3 -99.9 13.4 -13.5 55.5 39.3 55 55 A L E < +I 565 0C 13 -3,-2.1 2,-0.3 510,-0.3 510,-0.2 -0.475 31.7 172.5 -64.8 138.8 -9.7 55.5 39.2 56 56 A G E -I 564 0C 16 508,-2.6 508,-2.3 -2,-0.2 511,-0.4 -0.918 40.7 -77.9-140.1 169.3 -8.2 58.2 41.4 57 57 A L E -Ij 563 568C 11 510,-0.5 512,-2.3 512,-0.3 506,-0.3 -0.540 34.5-178.9 -74.7 122.5 -4.8 59.2 42.5 58 58 A A E - 0 0 31 504,-3.1 2,-0.3 -2,-0.4 505,-0.2 0.854 67.9 -35.5 -82.1 -45.8 -3.4 56.9 45.3 59 59 A W E -I 562 0C 27 503,-1.6 503,-2.2 510,-0.1 -1,-0.4 -0.969 51.2-143.4-167.8 162.6 -0.1 58.8 45.5 60 60 A S E -I 561 0C 41 -2,-0.3 2,-0.4 501,-0.2 501,-0.2 -0.954 10.9-152.7-135.1 154.6 2.5 60.7 43.5 61 61 A Y E -I 560 0C 17 499,-2.1 499,-2.6 -2,-0.3 2,-0.7 -0.998 15.7-129.3-133.1 133.3 6.3 60.8 43.9 62 62 A N E -I 559 0C 79 -2,-0.4 497,-0.2 497,-0.2 496,-0.1 -0.696 16.2-174.1 -86.9 112.9 8.7 63.6 42.9 63 63 A L - 0 0 5 495,-2.5 496,-0.2 -2,-0.7 -1,-0.2 0.591 31.6-139.6 -77.9 -15.1 11.6 62.3 40.7 64 64 A E + 0 0 124 494,-0.8 495,-0.1 1,-0.2 2,-0.1 0.394 57.7 128.3 69.6 2.9 13.1 65.8 40.9 65 65 A S - 0 0 14 493,-0.2 493,-2.2 1,-0.1 -1,-0.2 -0.349 44.2-167.2 -83.7 166.1 14.2 65.6 37.2 66 66 A T + 0 0 106 491,-0.2 -1,-0.1 -3,-0.1 490,-0.1 0.398 68.6 67.5-128.2 -4.8 13.4 68.2 34.5 67 67 A R S S- 0 0 25 1,-0.2 18,-0.2 52,-0.1 475,-0.1 -0.242 100.0 -42.0-107.7-167.4 14.4 66.2 31.4 68 68 A G - 0 0 0 -2,-0.1 2,-0.5 16,-0.1 -1,-0.2 -0.243 41.7-163.1 -67.0 148.7 12.9 63.1 29.8 69 69 A V + 0 0 0 471,-2.6 453,-0.7 51,-0.1 471,-0.5 -0.969 19.9 161.9-125.9 108.9 11.7 60.2 31.9 70 70 A E + 0 0 4 51,-0.7 453,-0.5 -2,-0.5 2,-0.2 0.486 34.4 111.2-109.7 -3.7 11.3 57.1 29.6 71 71 A A - 0 0 0 50,-0.5 467,-0.4 12,-0.4 52,-0.2 -0.503 56.3-142.9 -84.7 143.3 11.2 54.2 32.1 72 72 A T - 0 0 2 50,-0.7 52,-0.3 -2,-0.2 11,-0.1 -0.805 35.9-115.6 -88.0 134.8 8.3 51.9 33.1 73 73 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.421 21.2-144.0 -71.9 143.6 8.6 51.2 36.8 74 74 A V E - B 0 81A 0 7,-2.4 7,-2.7 -44,-0.1 2,-0.4 -0.846 20.1-170.5-103.3 144.3 9.2 47.6 37.9 75 75 A V E +AB 29 80A 0 -46,-2.3 -46,-2.8 -2,-0.4 2,-0.4 -0.990 16.1 176.0-141.7 128.7 7.4 46.4 41.0 76 76 A V E > S- B 0 79A 1 3,-2.0 3,-2.1 -2,-0.4 -66,-0.1 -0.996 79.9 -14.5-135.2 125.0 7.8 43.2 43.1 77 77 A D T 3 S- 0 0 63 -2,-0.4 3,-0.1 1,-0.3 452,-0.1 0.863 128.7 -53.3 49.5 44.7 5.7 42.9 46.4 78 78 A G T 3 S+ 0 0 0 450,-0.4 16,-2.2 1,-0.2 2,-0.6 0.566 110.0 122.4 73.5 7.5 4.9 46.6 46.4 79 79 A I E < -BC 76 93A 1 -3,-2.1 -3,-2.0 14,-0.2 2,-0.4 -0.933 47.3-159.7-106.1 118.6 8.6 47.7 46.1 80 80 A M E -BC 75 92A 0 12,-2.8 12,-2.7 -2,-0.6 2,-0.4 -0.800 14.1-170.8-104.0 143.6 9.1 49.9 43.0 81 81 A Y E +BC 74 91A 1 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.3 -0.996 17.9 154.7-131.0 128.7 12.2 50.7 41.0 82 82 A V E - C 0 90A 0 8,-2.3 8,-2.8 -2,-0.4 2,-0.2 -0.996 29.8-135.2-151.2 146.6 12.3 53.4 38.3 83 83 A S E - C 0 89A 0 -2,-0.3 -12,-0.4 6,-0.2 6,-0.2 -0.641 16.9-169.7-100.3 162.2 15.0 55.6 36.7 84 84 A A > - 0 0 2 4,-2.5 3,-0.6 1,-0.3 -14,-0.2 -0.319 46.4 -36.6-123.7-151.9 14.7 59.3 35.9 85 85 A S G > S+ 0 0 5 1,-0.2 3,-1.6 -18,-0.2 -1,-0.3 -0.301 121.5 24.9 -73.1 159.3 16.9 61.7 33.9 86 86 A W G 3 S- 0 0 18 33,-2.2 21,-0.5 1,-0.3 -1,-0.2 0.804 129.4 -72.0 55.4 30.6 20.8 61.4 34.0 87 87 A S G < S+ 0 0 0 -3,-0.6 2,-0.3 32,-0.5 -1,-0.3 0.673 83.5 159.9 64.6 22.2 20.5 57.7 34.9 88 88 A V < - 0 0 18 -3,-1.6 -4,-2.5 16,-0.1 2,-0.4 -0.570 27.3-148.7 -78.2 135.1 19.3 58.4 38.5 89 89 A V E -CD 83 103A 0 14,-3.0 14,-2.7 -2,-0.3 2,-0.4 -0.872 9.5-164.5-109.3 135.1 17.5 55.3 40.1 90 90 A H E -CD 82 102A 3 -8,-2.8 -8,-2.3 -2,-0.4 2,-0.5 -0.963 8.3-160.2-119.2 136.0 14.7 55.6 42.7 91 91 A A E -CD 81 101A 0 10,-2.8 9,-3.2 -2,-0.4 10,-1.4 -0.973 20.8-171.3-112.9 123.5 13.4 52.8 44.9 92 92 A I E -CD 80 99A 0 -12,-2.7 -12,-2.8 -2,-0.5 2,-0.9 -0.954 25.7-135.1-123.5 133.9 9.9 53.7 46.2 93 93 A D E >>> -CD 79 98A 12 5,-2.9 4,-2.9 -2,-0.4 3,-1.4 -0.766 17.5-162.0 -85.5 107.9 7.8 51.9 48.8 94 94 A T T 345S+ 0 0 7 -16,-2.2 -1,-0.2 -2,-0.9 -15,-0.1 0.719 83.4 68.1 -68.5 -14.9 4.4 51.8 47.1 95 95 A R T 345S+ 0 0 74 -17,-0.4 -1,-0.3 1,-0.2 -16,-0.1 0.723 121.6 16.0 -73.6 -20.1 2.6 51.2 50.4 96 96 A T T <45S- 0 0 73 -3,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.565 96.6-124.7-123.7 -19.1 3.5 54.8 51.5 97 97 A G T <5 + 0 0 7 -4,-2.9 2,-0.2 1,-0.3 -3,-0.2 0.494 69.2 132.6 79.9 7.5 4.5 56.5 48.3 98 98 A N E < -D 93 0A 102 -5,-0.7 -5,-2.9 1,-0.1 -1,-0.3 -0.596 63.6 -98.8 -98.0 154.3 7.8 57.3 50.0 99 99 A R E -D 92 0A 103 -2,-0.2 -7,-0.3 -7,-0.2 3,-0.1 -0.356 26.7-179.0 -62.6 140.1 11.4 57.0 48.9 100 100 A I E S- 0 0 39 -9,-3.2 2,-0.3 1,-0.5 -8,-0.2 0.745 71.6 -30.6-101.8 -50.5 13.4 54.0 50.2 101 101 A W E -D 91 0A 15 -10,-1.4 -10,-2.8 2,-0.0 -1,-0.5 -0.981 49.7-144.1-161.5 165.7 16.6 55.1 48.5 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