==== 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 25-JAN-02 1KV9 . COMPND 2 MOLECULE: TYPE II QUINOHEMOPROTEIN ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR Z.-W.CHEN,K.MATSUSHITA,T.YAMASHITA,T.FUJII,H.TOYAMA,O.ADACHI . 664 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24004.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 423 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 168 25.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 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-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 54 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 11.0 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 1 2 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 1 6 6 9 1 3 1 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 . 2 1 6 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 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 0 114 0, 0.0 2,-0.3 0, 0.0 115,-0.1 0.000 360.0 360.0 360.0 71.3 -28.2 5.6 -5.2 2 2 A G + 0 0 48 116,-0.1 2,-0.5 113,-0.0 116,-0.2 -0.845 360.0 51.4 144.1-105.9 -25.0 7.1 -6.5 3 3 A V B +A 117 0A 3 114,-1.9 114,-3.7 -2,-0.3 2,-0.2 -0.616 63.1 145.3 -78.7 120.0 -21.7 5.3 -6.8 4 4 A D > - 0 0 76 -2,-0.5 4,-2.2 112,-0.2 5,-0.2 -0.786 63.8 -81.4-139.5-178.5 -21.8 2.0 -8.7 5 5 A E H > S+ 0 0 50 -2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.923 126.7 51.7 -56.7 -47.6 -19.6 0.1 -11.1 6 6 A A H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.895 110.2 50.1 -56.2 -42.7 -20.6 2.1 -14.1 7 7 A A H > S+ 0 0 28 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.911 112.1 46.0 -63.8 -43.7 -19.8 5.3 -12.3 8 8 A I H < S+ 0 0 3 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.879 113.6 49.0 -68.9 -36.7 -16.3 4.1 -11.2 9 9 A R H >< S+ 0 0 71 -4,-2.6 3,-1.8 1,-0.2 4,-0.3 0.868 103.7 61.3 -70.3 -35.2 -15.5 2.8 -14.6 10 10 A A H >X S+ 0 0 51 -4,-2.1 4,-2.0 1,-0.3 3,-1.7 0.800 89.7 69.0 -61.4 -29.9 -16.6 6.0 -16.3 11 11 A T T 3< S+ 0 0 6 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.626 78.4 82.8 -65.9 -10.0 -13.9 8.0 -14.3 12 12 A E T <4 S+ 0 0 76 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.849 111.0 18.1 -61.7 -32.7 -11.4 6.1 -16.5 13 13 A Q T <4 S+ 0 0 149 -3,-1.7 2,-0.6 -4,-0.3 -2,-0.2 0.707 119.4 68.9-107.9 -31.0 -12.0 8.8 -19.1 14 14 A A < - 0 0 58 -4,-2.0 3,-0.4 1,-0.1 -1,-0.1 -0.823 60.4-169.9 -94.2 117.7 -13.6 11.6 -17.1 15 15 A G + 0 0 7 -2,-0.6 18,-0.2 1,-0.2 -1,-0.1 0.532 60.9 95.3 -85.9 -5.4 -11.1 13.1 -14.7 16 16 A G S S+ 0 0 20 492,-0.2 493,-2.6 16,-0.1 2,-0.2 0.863 85.6 39.4 -52.8 -43.6 -13.5 15.2 -12.7 17 17 A E - 0 0 56 -3,-0.4 2,-0.3 491,-0.2 48,-0.2 -0.633 56.7-154.2-112.7 169.0 -13.9 12.7 -9.8 18 18 A W B +B 64 0B 0 46,-1.9 46,-2.3 -2,-0.2 6,-0.1 -0.857 23.6 166.1-140.1 94.7 -11.9 10.2 -7.8 19 19 A L + 0 0 2 4,-0.4 96,-0.6 -2,-0.3 2,-0.3 0.512 56.4 42.2 -96.0 -7.3 -14.2 7.5 -6.5 20 20 A S B > S-F 23 0C 4 3,-0.7 3,-2.5 94,-0.1 94,-0.1 -0.944 90.1 -97.5-138.1 159.3 -11.9 4.7 -5.3 21 21 A H T 3 S+ 0 0 7 137,-0.4 -1,-0.1 -2,-0.3 3,-0.1 0.865 125.1 32.8 -39.8 -61.3 -8.7 4.5 -3.4 22 22 A G T 3 S- 0 0 0 2,-0.2 2,-2.0 1,-0.2 7,-1.7 -0.030 116.6-113.8 -91.2 33.0 -6.3 4.2 -6.4 23 23 A R B < S+F 20 0C 2 -3,-2.5 -3,-0.7 4,-0.2 -4,-0.4 -0.514 94.1 36.3 71.5 -75.9 -8.7 6.4 -8.3 24 24 A T S > S- 0 0 7 -2,-2.0 3,-1.9 -5,-0.1 -2,-0.2 -0.555 93.8-105.8-100.2 168.2 -9.8 3.8 -10.9 25 25 A Y T 3 S+ 0 0 5 1,-0.3 212,-2.0 -17,-0.2 -1,-0.1 0.782 123.1 60.2 -62.7 -24.3 -10.3 0.0 -10.3 26 26 A A T 3 S- 0 0 21 210,-0.2 278,-2.4 277,-0.1 -1,-0.3 0.581 104.0-138.1 -77.6 -10.4 -7.0 -0.5 -12.1 27 27 A E < + 0 0 2 -3,-1.9 -4,-0.2 276,-0.2 -2,-0.1 0.880 55.8 140.7 54.3 46.7 -5.3 1.6 -9.4 28 28 A Q - 0 0 26 -6,-0.3 360,-2.6 2,-0.1 438,-0.2 0.679 51.9-143.9 -87.3 -19.7 -3.1 3.6 -11.8 29 29 A R + 0 0 1 -7,-1.7 437,-2.2 1,-0.2 2,-0.5 0.936 50.8 143.2 51.9 48.3 -3.7 6.8 -9.8 30 30 A F E -g 466 0D 34 -8,-0.3 437,-0.2 435,-0.2 -1,-0.2 -0.983 38.5-155.3-121.0 122.9 -3.6 8.7 -13.1 31 31 A S E -g 467 0D 0 435,-2.6 437,-2.0 -2,-0.5 438,-0.2 -0.874 13.3-151.5-104.6 129.1 -6.0 11.6 -13.7 32 32 A P + 0 0 31 0, 0.0 -1,-0.1 0, 0.0 435,-0.1 0.654 65.0 116.2 -67.6 -15.1 -7.0 12.6 -17.2 33 33 A L + 0 0 15 -18,-0.2 435,-0.7 1,-0.1 436,-0.5 -0.290 34.8 168.6 -57.6 135.8 -7.3 16.2 -15.9 34 34 A K + 0 0 142 434,-0.2 -1,-0.1 433,-0.1 433,-0.0 0.084 39.8 111.0-141.4 29.1 -4.9 18.6 -17.5 35 35 A Q S S+ 0 0 75 1,-0.2 2,-0.6 2,-0.0 -2,-0.0 0.888 86.4 52.6 -68.5 -36.3 -5.8 22.2 -16.6 36 36 A I S S+ 0 0 0 3,-0.0 2,-0.2 479,-0.0 433,-0.2 -0.890 82.7 157.4 -99.0 118.8 -2.6 22.1 -14.6 37 37 A D >> - 0 0 46 -2,-0.6 4,-2.0 433,-0.1 3,-1.3 -0.795 58.3 -85.6-135.4 179.8 0.3 21.0 -16.8 38 38 A A T 34 S+ 0 0 25 431,-2.0 4,-0.2 1,-0.3 432,-0.1 0.730 122.7 57.7 -60.0 -21.7 4.1 21.2 -17.0 39 39 A S T 34 S+ 0 0 73 430,-0.2 -1,-0.3 1,-0.1 -3,-0.0 0.733 122.4 19.4 -82.7 -22.5 3.8 24.5 -18.8 40 40 A N T X4 S+ 0 0 39 -3,-1.3 3,-2.3 2,-0.1 -2,-0.2 0.400 87.8 102.3-128.7 3.4 1.8 26.3 -16.0 41 41 A V G >< S+ 0 0 1 -4,-2.0 3,-2.0 1,-0.3 -3,-0.1 0.711 71.2 75.4 -63.2 -17.0 2.4 24.4 -12.8 42 42 A R G 3 S+ 0 0 175 1,-0.3 -1,-0.3 -4,-0.2 452,-0.1 0.760 92.6 55.2 -64.4 -21.1 4.9 27.0 -11.8 43 43 A S G < S+ 0 0 55 -3,-2.3 508,-2.7 2,-0.1 509,-0.4 0.375 81.1 124.0 -90.8 2.0 1.8 29.2 -11.1 44 44 A L E < +K 550 0E 9 -3,-2.0 2,-0.3 506,-0.2 506,-0.2 -0.384 36.0 168.9 -65.1 139.9 0.3 26.5 -8.8 45 45 A G E -K 549 0E 11 504,-1.9 504,-2.4 -2,-0.1 2,-0.5 -0.924 43.8 -78.5-145.9 170.2 -0.5 27.9 -5.3 46 46 A L E -K 548 0E 2 508,-0.5 508,-2.9 506,-0.4 502,-0.3 -0.619 39.1-176.7 -73.7 122.5 -2.3 26.9 -2.1 47 47 A A E - 0 0 8 500,-2.8 2,-0.3 -2,-0.5 506,-0.2 0.908 61.8 -33.2 -85.5 -50.4 -6.0 27.5 -2.7 48 48 A W E -K 547 0E 45 499,-1.8 499,-2.3 506,-0.1 -1,-0.4 -0.971 56.9-157.2-162.6 167.8 -7.2 26.6 0.8 49 49 A Y E -K 546 0E 73 -2,-0.3 2,-0.4 497,-0.2 497,-0.2 -0.985 10.2-141.3-152.4 160.9 -6.5 24.4 3.7 50 50 A M E -K 545 0E 24 495,-2.1 495,-2.2 -2,-0.3 2,-0.2 -0.987 17.0-138.4-130.2 122.7 -8.1 22.8 6.8 51 51 A D E -K 544 0E 97 -2,-0.4 2,-0.4 493,-0.2 493,-0.2 -0.590 24.8-150.2 -75.3 140.3 -6.3 22.4 10.1 52 52 A L - 0 0 14 491,-2.0 2,-2.5 -2,-0.2 491,-0.2 -0.942 21.3-126.5-120.0 136.3 -7.0 19.0 11.6 53 53 A D S S+ 0 0 88 -2,-0.4 2,-0.3 2,-0.0 491,-0.1 -0.550 75.2 117.8 -75.8 80.9 -7.2 18.0 15.3 54 54 A N + 0 0 9 -2,-2.5 489,-0.7 489,-0.2 -2,-0.2 -0.986 38.1 172.4-152.3 136.2 -4.7 15.2 14.5 55 55 A T + 0 0 106 -2,-0.3 2,-0.2 487,-0.1 486,-0.1 0.255 63.9 69.5-130.7 10.0 -1.2 14.6 15.8 56 56 A R S S- 0 0 27 1,-0.2 18,-0.2 52,-0.1 467,-0.1 -0.593 97.7 -47.5-118.5-177.9 -0.4 11.2 14.3 57 57 A G - 0 0 0 -2,-0.2 2,-0.6 16,-0.1 53,-0.2 -0.209 41.7-155.4 -57.6 135.3 0.2 9.9 10.8 58 58 A L + 0 0 2 463,-2.7 445,-0.6 1,-0.1 444,-0.4 -0.948 27.7 156.5-110.9 108.7 -2.2 10.9 8.0 59 59 A E + 0 0 3 51,-0.7 445,-0.3 -2,-0.6 -1,-0.1 0.394 27.6 127.4-113.6 1.2 -2.1 8.2 5.3 60 60 A A - 0 0 0 12,-0.3 459,-0.4 50,-0.3 52,-0.3 -0.250 50.1-147.5 -68.5 145.3 -5.4 8.8 3.6 61 61 A T - 0 0 1 50,-1.7 52,-0.4 442,-0.1 457,-0.1 -0.957 31.7-129.7-104.4 115.4 -6.0 9.3 -0.1 62 62 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.318 15.1-144.2 -66.8 153.5 -9.0 11.6 -0.3 63 63 A L E - C 0 70B 0 7,-2.5 7,-2.8 -44,-0.1 2,-0.4 -0.879 9.3-153.9-113.8 149.8 -12.0 10.6 -2.5 64 64 A F E +BC 18 69B 4 -46,-2.3 -46,-1.9 -2,-0.3 2,-0.3 -0.987 22.1 157.0-130.4 126.7 -14.0 13.2 -4.4 65 65 A H E > - C 0 68B 41 3,-2.4 3,-1.7 -2,-0.4 -2,-0.0 -0.948 66.1 -14.8-151.2 126.6 -17.6 12.9 -5.5 66 66 A D T 3 S- 0 0 128 -2,-0.3 3,-0.1 1,-0.3 444,-0.1 0.905 128.4 -45.5 50.2 52.3 -20.3 15.4 -6.3 67 67 A G T 3 S+ 0 0 19 442,-0.2 16,-2.2 1,-0.2 17,-0.5 0.438 116.3 110.9 76.0 0.1 -18.5 18.4 -4.8 68 68 A V E < -CD 65 82B 19 -3,-1.7 -3,-2.4 14,-0.2 2,-0.5 -0.907 55.7-148.6-116.9 138.0 -17.6 16.5 -1.6 69 69 A I E -CD 64 81B 1 12,-3.2 12,-3.2 -2,-0.4 2,-0.5 -0.874 13.8-164.7 -99.7 124.9 -14.2 15.4 -0.3 70 70 A Y E +CD 63 80B 15 -7,-2.8 -7,-2.5 -2,-0.5 43,-0.3 -0.951 25.6 142.7-112.6 121.0 -14.2 12.2 1.8 71 71 A T E - 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0 0 144 -5,-0.3 -5,-2.8 1,-0.1 2,-0.5 -0.608 62.5-110.3 -89.3 146.6 -16.2 23.5 5.5 88 88 A E E -E 81 0B 73 -2,-0.2 -7,-0.3 -7,-0.2 3,-0.1 -0.630 27.2-168.3 -74.4 120.7 -16.4 20.2 7.4 89 89 A L E - 0 0 83 -9,-2.9 2,-0.3 -2,-0.5 -1,-0.2 0.904 63.6 -32.8 -76.7 -44.7 -19.8 18.7 6.6 90 90 A W E -E 80 0B 20 -10,-1.1 -10,-2.5 2,-0.0 2,-0.3 -0.970 53.7-145.5-166.6 166.7 -19.7 16.0 9.2 91 91 A R E -E 79 0B 89 -2,-0.3 2,-0.5 -12,-0.2 -12,-0.3 -0.996 4.6-152.4-144.7 145.6 -17.2 13.7 11.0 92 92 A Y E -E 78 0B 43 -14,-3.4 -14,-2.8 -2,-0.3 46,-0.1 -0.984 8.2-171.6-122.1 127.4 -17.5 10.2 12.3 93 93 A D - 0 0 73 -2,-0.5 -16,-0.1 -16,-0.2 -17,-0.1 -0.958 11.5-165.9-120.6 111.3 -15.3 9.0 15.2 94 94 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -18,-0.1 0.566 38.6-129.3 -71.0 -7.3 -15.5 5.3 16.0 95 95 A E - 0 0 160 1,-0.2 2,-0.2 -20,-0.1 -19,-0.1 0.963 28.7-163.0 57.1 59.0 -13.8 6.1 19.3 96 96 A V - 0 0 8 -21,-0.5 -1,-0.2 1,-0.1 2,-0.2 -0.541 28.7-105.7 -72.8 134.0 -11.0 3.5 19.1 97 97 A A > - 0 0 60 -2,-0.2 3,-2.2 1,-0.2 4,-0.2 -0.438 25.2-135.3 -60.9 127.6 -9.4 2.9 22.5 98 98 A K G > S+ 0 0 86 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.837 103.4 61.5 -55.6 -35.7 -6.0 4.7 22.4 99 99 A V G > S+ 0 0 42 1,-0.3 3,-2.2 530,-0.2 4,-0.3 0.581 78.7 87.5 -69.6 -6.5 -4.3 1.7 23.9 100 100 A K G X S+ 0 0 30 -3,-2.2 3,-1.7 1,-0.3 -1,-0.3 0.752 71.9 76.9 -62.3 -19.3 -5.4 -0.3 20.9 101 101 A A G X S+ 0 0 14 -3,-1.7 3,-1.7 1,-0.3 -1,-0.3 0.708 74.8 74.7 -63.8 -19.9 -2.1 1.0 19.5 102 102 A R G < S+ 0 0 51 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.817 106.9 34.9 -62.6 -27.5 -0.3 -1.6 21.6 103 103 A T G < S+ 0 0 41 -3,-1.7 2,-0.4 -4,-0.3 -1,-0.3 -0.161 101.0 87.2-118.4 37.5 -1.5 -4.1 19.0 104 104 A S X - 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