==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-JUN-12 4FFU . COMPND 2 MOLECULE: OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR V.N.MALASHKEVICH,R.BHOSLE,R.TORO,B.HILLERICH,A.GIZZI,S.GARFO . 1785 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 72191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1341 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 547 30.6 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 . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 217 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 204 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 263 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 23 0 0 0 0 0 10 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 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 PARALLEL BRIDGES PER LADDER . 0 24 12 0 0 0 0 13 2 10 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 12 0 0 0 0 0 0 0 0 5 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 -6 A N > 0 0 149 0, 0.0 3,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.1 -1.3 14.9 60.9 2 -5 A L T 3 + 0 0 136 1,-0.2 3,-0.1 3,-0.0 1375,-0.0 0.784 360.0 46.2 -61.2 -32.7 -5.0 15.4 60.0 3 -4 A Y T 3 S+ 0 0 123 1,-0.2 1375,-2.4 1374,-0.1 2,-0.3 0.399 111.3 47.4 -99.1 -0.6 -5.7 17.3 63.3 4 -3 A F E < -a 1378 0A 87 -3,-0.7 2,-0.5 1373,-0.2 1375,-0.2 -0.874 62.9-179.2-144.2 109.8 -2.7 19.7 63.5 5 -2 A Q E -a 1379 0A 77 1373,-3.0 1375,-2.6 -2,-0.3 2,-0.5 -0.954 9.9-162.0-118.2 124.7 -1.7 21.8 60.5 6 -1 A S E -a 1380 0A 77 -2,-0.5 1375,-0.2 1373,-0.2 2,-0.2 -0.890 22.8-128.6-100.8 122.0 1.2 24.2 60.5 7 0 A X - 0 0 51 1373,-2.9 2,-0.1 -2,-0.5 1372,-0.0 -0.467 31.8-118.8 -65.2 136.2 1.2 26.7 57.8 8 1 A X - 0 0 97 -2,-0.2 1374,-0.2 1,-0.1 3,-0.1 -0.366 16.4-158.8 -70.5 155.9 4.6 26.7 56.1 9 2 A S S S+ 0 0 26 1,-0.3 74,-0.6 1373,-0.1 2,-0.3 0.344 84.0 16.0-108.0 -4.5 6.9 29.6 55.9 10 3 A E B -l 83 0B 70 72,-0.2 2,-0.3 635,-0.1 -1,-0.3 -0.971 64.4-156.9-156.5 161.9 8.7 28.2 52.9 11 4 A Q - 0 0 88 72,-2.7 2,-0.3 -2,-0.3 75,-0.1 -0.878 14.4-139.2-152.2 118.6 8.0 25.5 50.3 12 5 A T + 0 0 61 -2,-0.3 2,-0.4 72,-0.2 72,-0.1 -0.587 22.8 177.5 -77.7 128.9 10.6 23.7 48.2 13 6 A I - 0 0 52 -2,-0.3 139,-0.1 5,-0.0 73,-0.1 -0.944 16.6-148.0-134.7 113.2 9.5 23.2 44.5 14 7 A Y > - 0 0 56 -2,-0.4 3,-1.6 137,-0.1 4,-0.3 -0.309 31.1 -97.8 -78.7 164.4 12.0 21.5 42.2 15 8 A Y G > S+ 0 0 31 137,-2.7 3,-1.6 1,-0.3 138,-0.2 0.844 120.2 56.7 -45.1 -47.2 12.5 22.2 38.5 16 9 A E G 3 S+ 0 0 70 1,-0.3 -1,-0.3 136,-0.2 137,-0.1 0.748 100.7 58.9 -65.1 -22.8 10.4 19.2 37.4 17 10 A D G < S+ 0 0 84 -3,-1.6 2,-1.0 2,-0.1 -1,-0.3 0.429 79.2 87.3 -93.9 0.5 7.4 20.4 39.4 18 11 A Y S < S- 0 0 25 -3,-1.6 2,-0.7 -4,-0.3 -1,-0.1 -0.867 80.2-152.4 -88.0 96.3 7.1 23.8 37.5 19 12 A E > - 0 0 122 -2,-1.0 3,-2.3 1,-0.1 94,-0.3 -0.663 12.5-119.3 -88.4 115.6 4.9 22.1 34.9 20 13 A Q T 3 S+ 0 0 129 -2,-0.7 94,-0.2 1,-0.3 3,-0.1 -0.220 97.0 21.7 -53.8 132.5 5.2 23.9 31.6 21 14 A G T 3 S+ 0 0 49 92,-3.3 -1,-0.3 1,-0.3 93,-0.1 0.263 85.3 143.5 91.5 -10.9 1.9 25.3 30.3 22 15 A H < - 0 0 103 -3,-2.3 91,-2.5 91,-0.1 2,-0.4 -0.444 33.9-159.4 -62.4 134.5 0.4 25.4 33.8 23 16 A V E +M 112 0C 78 89,-0.2 2,-0.4 -3,-0.1 89,-0.2 -0.945 14.5 179.7-116.6 135.9 -1.8 28.5 34.2 24 17 A R E -M 111 0C 98 87,-2.2 87,-3.1 -2,-0.4 2,-0.5 -0.999 9.8-161.2-133.5 143.3 -2.9 30.2 37.4 25 18 A L E -M 110 0C 86 -2,-0.4 85,-0.2 85,-0.2 3,-0.1 -0.973 17.1-139.5-119.7 126.1 -5.1 33.2 37.7 26 19 A T - 0 0 15 83,-2.5 53,-0.1 -2,-0.5 52,-0.1 -0.275 29.5 -89.3 -74.8 169.1 -5.1 35.2 41.0 27 20 A S - 0 0 73 51,-0.2 82,-0.4 1,-0.1 2,-0.2 -0.267 54.7-101.0 -62.3 163.6 -8.1 36.7 42.7 28 21 A G - 0 0 6 80,-0.1 2,-0.3 -3,-0.1 80,-0.2 -0.504 29.1-166.7 -93.1 160.6 -8.9 40.3 41.7 29 22 A R E -W 107 0D 4 78,-2.0 78,-2.5 -2,-0.2 2,-0.4 -0.962 21.4-129.7-145.0 126.5 -8.2 43.6 43.3 30 23 A T E -W 106 0D 4 770,-2.7 2,-0.6 -2,-0.3 76,-0.3 -0.641 21.4-131.5 -76.5 132.3 -9.8 46.9 42.3 31 24 A I - 0 0 0 74,-3.4 73,-3.1 -2,-0.4 74,-0.3 -0.758 35.0-170.4 -86.3 117.5 -7.2 49.7 41.8 32 25 A T > - 0 0 2 -2,-0.6 4,-1.3 71,-0.2 3,-0.4 -0.626 40.5-104.8-109.4 167.9 -8.5 52.6 43.8 33 26 A E H > S+ 0 0 39 1,-0.2 4,-2.3 -2,-0.2 3,-0.3 0.890 121.7 61.8 -58.2 -34.7 -7.5 56.3 44.1 34 27 A T H > S+ 0 0 1 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.903 99.4 54.5 -54.7 -45.3 -6.0 55.3 47.4 35 28 A D H > S+ 0 0 1 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.851 107.8 49.2 -59.9 -36.0 -3.6 53.0 45.6 36 29 A F H X S+ 0 0 1 -4,-1.3 4,-2.4 -3,-0.3 -1,-0.2 0.946 114.7 44.2 -63.2 -50.4 -2.4 55.9 43.4 37 30 A V H X S+ 0 0 12 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.895 114.9 48.1 -66.2 -41.4 -1.9 58.2 46.4 38 31 A V H X S+ 0 0 40 -4,-3.3 4,-2.5 -5,-0.2 -1,-0.2 0.928 111.3 51.5 -64.8 -40.9 -0.2 55.4 48.5 39 32 A H H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 6,-0.4 0.929 110.3 47.3 -64.9 -45.3 2.1 54.6 45.5 40 33 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.4 0.924 114.5 48.5 -56.5 -46.5 3.1 58.2 45.1 41 34 A G H < S+ 0 0 13 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.854 114.4 45.7 -62.4 -36.1 3.8 58.4 48.8 42 35 A H H < S+ 0 0 6 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.856 124.9 28.8 -75.7 -39.3 5.8 55.2 48.8 43 36 A T H < S- 0 0 1 -4,-2.6 634,-0.2 -5,-0.2 -2,-0.2 0.663 97.7-121.3-100.1 -21.6 7.9 55.9 45.8 44 37 A G < + 0 0 22 -4,-2.6 2,-0.8 -5,-0.3 -3,-0.1 0.528 68.4 133.5 86.1 8.5 8.2 59.8 45.7 45 38 A D + 0 0 18 -5,-0.4 -1,-0.2 -6,-0.4 -2,-0.1 -0.823 16.4 158.0 -98.5 103.6 6.7 59.9 42.2 46 39 A F + 0 0 41 -2,-0.8 5,-0.1 628,-0.1 -1,-0.1 -0.045 16.1 161.7-109.3 27.1 4.0 62.6 42.1 47 40 A F >> - 0 0 43 1,-0.1 4,-1.9 3,-0.1 3,-1.9 -0.207 48.3-121.2 -59.9 142.1 4.0 63.2 38.4 48 41 A P H 3> S+ 0 0 7 0, 0.0 4,-2.5 0, 0.0 8,-0.3 0.749 107.6 69.4 -61.9 -27.5 0.8 65.0 37.2 49 42 A H H 34 S+ 0 0 45 1,-0.2 16,-2.3 2,-0.2 -2,-0.1 0.804 116.1 27.7 -51.8 -33.1 -0.2 62.1 34.8 50 43 A H H <4 S+ 0 0 22 -3,-1.9 -1,-0.2 14,-0.2 14,-0.1 0.768 134.4 30.1 -97.5 -34.0 -0.9 60.1 38.0 51 44 A X H < S+ 0 0 5 -4,-1.9 428,-2.6 -5,-0.1 2,-0.6 0.517 100.5 71.9-114.4 -3.6 -1.7 62.8 40.6 52 45 A D X - 0 0 15 -4,-2.5 4,-2.4 426,-0.2 -1,-0.1 -0.910 49.0-173.7-124.1 101.7 -3.4 65.9 38.9 53 46 A A H > S+ 0 0 26 -2,-0.6 4,-0.7 2,-0.2 -1,-0.1 0.792 86.9 52.1 -64.3 -31.0 -6.9 65.2 37.6 54 47 A E H >4 S+ 0 0 65 2,-0.2 3,-0.8 1,-0.2 4,-0.4 0.933 111.3 45.0 -72.8 -47.1 -7.1 68.7 35.9 55 48 A F H >4 S+ 0 0 51 1,-0.2 3,-2.2 2,-0.2 -2,-0.2 0.906 106.7 61.7 -56.8 -43.2 -3.9 68.2 34.0 56 49 A A H >< S+ 0 0 0 -4,-2.4 3,-1.7 -8,-0.3 6,-0.3 0.723 87.4 72.3 -62.8 -21.2 -5.0 64.6 33.1 57 50 A K T << S+ 0 0 131 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.783 93.6 57.0 -59.6 -25.0 -8.1 66.1 31.2 58 51 A T T < S+ 0 0 109 -3,-2.2 -1,-0.3 -4,-0.4 -2,-0.2 0.475 93.1 89.3 -86.6 -3.9 -5.6 67.2 28.6 59 52 A L S X S- 0 0 37 -3,-1.7 3,-2.0 -4,-0.2 5,-0.0 -0.574 95.3 -95.3 -90.9 170.5 -4.3 63.6 28.1 60 53 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 0.787 123.1 34.2 -61.5 -44.6 -5.7 61.1 25.6 61 54 A G T 3 S- 0 0 56 2,-0.2 -4,-0.1 1,-0.0 3,-0.1 0.386 104.6-126.1 -86.4 -1.3 -8.0 59.3 27.9 62 55 A G S < S+ 0 0 32 -3,-2.0 2,-0.3 -6,-0.3 -4,-0.1 0.521 75.3 82.5 73.3 9.2 -8.9 62.4 29.9 63 56 A Q S S- 0 0 83 -7,-0.1 -2,-0.2 -6,-0.1 -1,-0.2 -0.936 85.7 -80.5-143.4 164.8 -8.0 60.8 33.3 64 57 A R - 0 0 40 -2,-0.3 39,-0.4 -14,-0.1 2,-0.4 -0.239 43.3-149.1 -59.7 145.4 -5.2 60.0 35.7 65 58 A I - 0 0 52 -16,-2.3 37,-0.2 37,-0.1 3,-0.1 -0.928 19.2-105.2-123.3 146.5 -3.2 56.8 34.9 66 59 A A - 0 0 10 35,-2.6 35,-0.2 -2,-0.4 2,-0.1 -0.335 39.8-100.1 -66.9 149.4 -1.5 54.4 37.3 67 60 A H >> - 0 0 2 1,-0.1 4,-1.9 -22,-0.1 3,-0.8 -0.459 26.9-127.8 -61.5 140.1 2.3 54.4 37.7 68 61 A G H 3> S+ 0 0 24 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.888 111.5 54.8 -55.1 -41.2 3.9 51.6 35.8 69 62 A T H 3> S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.759 105.1 54.4 -67.1 -23.2 5.7 50.5 39.0 70 63 A X H <> S+ 0 0 0 -3,-0.8 4,-3.0 2,-0.2 5,-0.4 0.929 108.7 45.8 -74.9 -45.4 2.3 50.3 40.8 71 64 A I H X S+ 0 0 9 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.902 116.8 47.2 -67.0 -35.4 0.8 48.0 38.3 72 65 A F H X S+ 0 0 2 -4,-2.2 4,-2.9 -5,-0.2 5,-0.3 0.953 114.5 45.2 -65.0 -50.0 3.9 45.9 38.4 73 66 A S H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.905 120.1 38.5 -64.8 -44.3 4.2 45.9 42.2 74 67 A I H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.920 115.6 53.6 -74.0 -42.3 0.5 45.1 42.8 75 68 A G H X S+ 0 0 1 -4,-2.0 4,-0.6 -5,-0.4 -2,-0.2 0.918 115.4 39.7 -56.1 -46.9 0.3 42.7 39.8 76 69 A V H >< S+ 0 0 22 -4,-2.9 3,-1.3 1,-0.2 4,-0.4 0.914 111.8 58.5 -67.5 -42.6 3.3 40.7 41.1 77 70 A G H >< S+ 0 0 6 -4,-2.3 3,-1.5 -5,-0.3 -2,-0.2 0.852 97.7 59.8 -56.1 -38.4 2.1 41.0 44.7 78 71 A L H 3< S+ 0 0 42 -4,-2.4 -1,-0.3 1,-0.3 -51,-0.2 0.814 109.3 45.0 -58.6 -30.2 -1.2 39.3 43.8 79 72 A T T << S+ 0 0 19 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.411 83.9 139.9 -91.0 -2.7 0.9 36.3 42.7 80 73 A A < + 0 0 22 -3,-1.5 2,-0.3 -4,-0.4 563,-0.1 -0.048 26.4 174.7 -54.1 141.5 3.1 36.3 45.8 81 74 A S - 0 0 75 1,-0.1 3,-0.1 561,-0.0 563,-0.1 -0.855 36.9 -64.6-139.8 173.9 4.0 32.9 47.2 82 75 A L - 0 0 38 -2,-0.3 -72,-0.2 1,-0.1 -1,-0.1 -0.290 65.3 -91.6 -56.4 143.3 6.1 31.2 49.9 83 76 A I B -l 10 0B 12 -74,-0.6 -72,-2.7 1,-0.1 -1,-0.1 -0.312 35.2-142.3 -55.6 136.0 9.9 31.5 49.5 84 77 A N > - 0 0 15 -74,-0.2 3,-2.0 3,-0.2 -72,-0.2 -0.919 6.4-159.0-102.7 107.6 11.2 28.5 47.5 85 78 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -73,-0.1 0.726 89.7 49.4 -63.6 -18.8 14.6 27.6 49.0 86 79 A V T 3 S+ 0 0 16 -75,-0.1 66,-2.8 66,-0.1 2,-0.4 0.207 100.1 76.8-104.0 15.3 15.8 25.8 45.8 87 80 A A E < -N 151 0C 18 -3,-2.0 2,-0.5 64,-0.2 64,-0.2 -0.962 61.1-154.3-125.3 139.4 14.9 28.6 43.3 88 81 A F E -N 150 0C 79 62,-2.8 62,-2.4 -2,-0.4 2,-0.9 -0.977 15.1-139.9-110.0 128.9 16.7 31.9 42.6 89 82 A S E -N 149 0C 6 -2,-0.5 60,-0.2 60,-0.2 605,-0.2 -0.781 18.9-176.0 -86.6 103.4 14.7 34.8 41.3 90 83 A Y E - 0 0 94 58,-2.1 604,-2.3 -2,-0.9 2,-0.3 0.877 44.6-104.6 -66.8 -40.6 17.0 36.3 38.6 91 84 A G E -NO 148 693C 0 57,-1.0 57,-2.7 602,-0.2 2,-0.3 -0.986 45.1 -58.2 144.7-150.7 14.6 39.2 37.8 92 85 A Y E -NO 147 692C 10 600,-1.7 600,-2.2 -2,-0.3 2,-0.3 -0.961 34.2-156.2-131.8 146.3 12.3 39.9 34.9 93 86 A D E S+N 146 0C 14 53,-2.4 53,-2.7 -2,-0.3 597,-0.1 -0.876 72.6 13.4-113.1 156.4 12.7 40.3 31.2 94 87 A R E - 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