==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-APR-09 3GZY . COMPND 2 MOLECULE: BIPHENYL DIOXYGENASE SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: COMAMONAS TESTOSTERONI; . AUTHOR P.KUMAR,C.L.COLBERT,J.T.BOLIN . 626 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 408 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 22.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 1 0.2 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 . 43 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.1 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 4 2 0 1 1 1 2 1 0 0 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 PARALLEL BRIDGES PER LADDER . 2 4 5 3 5 1 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 3 0 1 1 0 0 1 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 18 A N 0 0 144 0, 0.0 2,-0.6 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0-120.6 62.1 36.0 -29.1 2 19 A W - 0 0 38 25,-0.1 3,-0.0 4,-0.0 0, 0.0 -0.888 360.0-158.1-122.0 114.3 58.7 34.3 -29.2 3 20 A T > - 0 0 78 -2,-0.6 4,-2.5 1,-0.1 5,-0.2 -0.406 34.8-112.0 -72.3 156.0 56.6 33.9 -32.4 4 21 A P H > S+ 0 0 57 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.908 123.9 51.4 -54.9 -39.2 52.8 33.4 -32.0 5 22 A D H > S+ 0 0 108 1,-0.2 4,-1.7 2,-0.2 426,-0.0 0.934 107.8 50.9 -65.3 -41.2 53.5 29.9 -33.3 6 23 A A H 4 S+ 0 0 32 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.881 113.0 46.2 -62.4 -40.4 56.2 29.4 -30.7 7 24 A I H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 4,-0.3 0.889 108.2 54.0 -68.6 -40.6 53.9 30.5 -28.0 8 25 A R H >< S+ 0 0 103 -4,-2.6 3,-1.5 1,-0.3 -2,-0.2 0.879 100.6 62.7 -66.6 -31.5 50.9 28.4 -29.1 9 26 A A T 3< S+ 0 0 78 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.658 87.1 73.0 -63.6 -17.8 53.1 25.3 -29.1 10 27 A L T < S+ 0 0 3 -3,-1.5 9,-3.0 -4,-0.3 2,-0.4 0.638 100.8 44.9 -72.9 -12.8 53.6 25.7 -25.3 11 28 A V E < -A 18 0A 13 -3,-1.5 2,-0.5 -4,-0.3 7,-0.2 -0.991 61.3-177.3-132.1 123.5 50.0 24.5 -24.6 12 29 A D E >> +A 17 0A 47 5,-3.0 5,-2.2 -2,-0.4 4,-1.2 -0.905 7.8 171.2-122.1 102.0 48.3 21.5 -26.3 13 30 A Q T 45S+ 0 0 44 -2,-0.5 -1,-0.1 3,-0.2 407,-0.1 0.707 79.4 57.7 -81.4 -19.4 44.7 21.2 -25.2 14 31 A D T 45S+ 0 0 112 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.881 121.2 25.9 -74.2 -41.6 44.0 18.5 -27.8 15 32 A N T 45S- 0 0 76 2,-0.1 -2,-0.2 381,-0.0 -1,-0.2 0.583 108.7-121.3 -98.8 -7.0 46.8 16.2 -26.5 16 33 A G T <5 + 0 0 0 -4,-1.2 376,-2.9 1,-0.2 2,-0.4 0.949 61.1 134.7 76.7 49.2 46.8 17.5 -22.9 17 34 A K E < -AB 12 391A 87 -5,-2.2 -5,-3.0 374,-0.2 2,-0.4 -0.986 35.3-162.4-135.8 144.3 50.3 18.7 -22.5 18 35 A L E -AB 11 390A 12 372,-1.8 372,-2.9 -2,-0.4 2,-0.6 -0.981 20.2-131.3-123.8 136.4 51.9 21.8 -21.0 19 36 A D E > - B 0 389A 30 -9,-3.0 3,-1.9 -2,-0.4 370,-0.2 -0.785 17.8-140.1 -83.0 124.2 55.5 23.1 -21.6 20 37 A A G > S+ 0 0 0 368,-2.8 3,-1.9 -2,-0.6 4,-0.3 0.629 92.0 81.7 -56.4 -20.3 57.0 24.0 -18.1 21 38 A R G >> S+ 0 0 80 1,-0.3 4,-2.0 367,-0.2 3,-1.1 0.696 73.7 75.1 -60.0 -23.7 58.6 27.1 -19.6 22 39 A I G <4 S+ 0 0 3 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.809 97.7 46.6 -60.5 -24.9 55.3 28.9 -19.2 23 40 A Y G <4 S+ 0 0 6 -3,-1.9 -1,-0.2 363,-0.2 -2,-0.2 0.518 125.1 23.2 -94.3 -8.0 55.9 29.1 -15.4 24 41 A A T <4 S+ 0 0 22 -3,-1.1 -2,-0.2 -4,-0.3 -3,-0.1 0.643 82.6 111.8-128.6 -32.6 59.5 30.3 -15.4 25 42 A D X - 0 0 40 -4,-2.0 4,-1.7 1,-0.1 -4,-0.0 -0.264 48.7-155.8 -60.7 126.1 60.6 32.1 -18.6 26 43 A Q H > S+ 0 0 89 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.834 92.7 54.2 -72.1 -35.1 61.2 35.8 -18.1 27 44 A D H > S+ 0 0 85 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.920 109.1 49.5 -68.4 -42.3 60.6 36.8 -21.7 28 45 A L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.879 107.8 55.2 -63.6 -41.8 57.2 35.1 -21.5 29 46 A Y H X S+ 0 0 2 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.930 106.3 49.7 -56.0 -49.6 56.5 36.9 -18.3 30 47 A Q H X S+ 0 0 101 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.924 109.9 51.1 -61.1 -34.0 57.1 40.3 -19.9 31 48 A L H X S+ 0 0 17 -4,-1.9 4,-3.6 2,-0.2 5,-0.4 0.891 106.9 55.4 -68.3 -33.0 54.8 39.3 -22.7 32 49 A E H X>S+ 0 0 2 -4,-2.1 4,-2.5 1,-0.2 5,-2.4 0.935 103.2 54.2 -60.4 -47.4 52.2 38.4 -20.0 33 50 A L H <5S+ 0 0 44 -4,-2.6 5,-0.4 3,-0.2 -1,-0.2 0.869 119.6 34.3 -53.8 -38.1 52.4 41.9 -18.6 34 51 A E H <5S+ 0 0 129 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.934 129.9 29.3 -79.3 -51.2 51.6 43.3 -22.1 35 52 A R H <5S+ 0 0 64 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.631 132.7 24.0 -95.6 -17.4 49.2 40.8 -23.6 36 53 A V T >X5S+ 0 0 0 -4,-2.5 3,-1.2 -5,-0.4 4,-0.8 0.714 130.5 29.3-110.4 -66.4 47.5 39.3 -20.5 37 54 A F T 34 -C 154 0B 3 -2,-0.3 3,-2.7 108,-0.2 4,-0.5 -0.865 38.0-115.0-123.9 148.3 34.8 45.4 -3.4 47 64 A E G > S+ 0 0 61 106,-2.7 3,-1.5 -2,-0.3 107,-0.1 0.824 115.7 62.9 -52.0 -32.4 32.5 48.4 -3.5 48 65 A T G 3 S+ 0 0 57 1,-0.3 -1,-0.3 105,-0.2 4,-0.1 0.551 87.7 71.1 -74.3 -4.6 32.3 48.3 0.3 49 66 A H G < S+ 0 0 42 -3,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.794 113.1 27.1 -77.8 -23.2 36.0 48.9 0.4 50 67 A I S < S+ 0 0 0 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.1 -0.491 74.5 154.5-136.7 64.4 35.2 52.5 -0.7 51 68 A P + 0 0 71 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.768 56.6 51.7 -64.6 -36.6 31.7 53.3 0.5 52 69 A K S > S- 0 0 149 1,-0.1 3,-2.5 -4,-0.1 18,-0.3 -0.688 96.4 -80.2-114.0 156.7 31.8 57.1 0.7 53 70 A I T 3 S+ 0 0 78 1,-0.3 18,-0.2 -2,-0.2 -1,-0.1 -0.259 118.0 17.8 -50.3 134.7 32.9 59.9 -1.5 54 71 A G T 3 S+ 0 0 1 16,-2.3 44,-2.4 1,-0.3 -1,-0.3 0.263 89.4 138.2 79.9 -9.4 36.6 60.4 -1.5 55 72 A D E < -E 97 0C 26 -3,-2.5 15,-2.4 42,-0.3 2,-0.3 -0.413 31.3-176.4 -63.9 139.2 37.2 56.8 -0.1 56 73 A Y E -EF 96 69C 10 40,-2.4 40,-1.5 13,-0.2 2,-0.4 -0.972 23.5-160.7-139.3 158.8 40.2 55.1 -1.9 57 74 A L E -EF 95 68C 18 11,-2.2 11,-2.8 -2,-0.3 2,-0.5 -0.994 14.5-146.6-132.2 129.5 42.0 51.8 -2.0 58 75 A T E + F 0 67C 16 36,-2.0 9,-0.2 -2,-0.4 2,-0.2 -0.895 41.5 131.3 -96.6 136.8 45.5 51.5 -3.3 59 76 A T E - F 0 66C 2 7,-2.4 7,-2.3 -2,-0.5 2,-0.3 -0.659 44.8 -85.6-153.4-148.8 46.1 48.1 -5.0 60 77 A Y E - F 0 65C 48 5,-0.3 2,-0.5 -2,-0.2 3,-0.1 -0.959 7.6-159.3-137.9 151.0 47.6 46.7 -8.3 61 78 A M E > S- F 0 64C 3 3,-2.5 3,-2.2 -2,-0.3 2,-0.5 -0.954 88.2 -49.0-120.2 101.9 46.9 45.8 -11.9 62 79 A G T 3 S- 0 0 4 -2,-0.5 -29,-0.0 1,-0.3 -24,-0.0 -0.598 122.8 -26.0 68.6-119.1 49.8 43.4 -12.5 63 80 A E T 3 S+ 0 0 81 -2,-0.5 -1,-0.3 -3,-0.1 261,-0.0 0.290 116.6 104.8-110.8 8.4 52.8 45.2 -11.2 64 81 A D E < -F 61 0C 77 -3,-2.2 -3,-2.5 16,-0.0 2,-0.3 -0.806 69.1-134.8 -89.6 125.0 51.3 48.7 -11.8 65 82 A P E -F 60 0C 27 0, 0.0 16,-3.2 0, 0.0 2,-0.3 -0.642 31.1-178.0 -78.2 130.6 50.1 50.4 -8.6 66 83 A V E -FG 59 80C 0 -7,-2.3 -7,-2.4 -2,-0.3 2,-0.5 -0.912 25.4-131.9-129.4 156.9 46.7 52.0 -9.0 67 84 A I E -FG 58 79C 0 12,-2.6 12,-1.9 -2,-0.3 2,-0.5 -0.947 14.3-162.8-106.0 124.5 44.2 54.1 -6.9 68 85 A M E +FG 57 78C 0 -11,-2.8 -11,-2.2 -2,-0.5 2,-0.4 -0.969 23.7 174.8-108.9 121.3 40.6 52.9 -6.8 69 86 A V E -FG 56 77C 0 8,-2.8 8,-2.4 -2,-0.5 2,-0.3 -0.996 34.4-120.5-146.2 134.9 38.5 55.8 -5.6 70 87 A R E - G 0 76C 13 -15,-2.4 -16,-2.3 -2,-0.4 6,-0.2 -0.584 35.1-143.7 -77.3 125.5 34.8 56.7 -5.1 71 88 A Q > - 0 0 12 4,-3.1 3,-2.5 -2,-0.3 -16,-0.1 -0.421 25.4-104.3 -90.2 161.9 33.8 59.8 -7.1 72 89 A K T 3 S+ 0 0 168 1,-0.3 -19,-0.1 2,-0.1 -1,-0.1 0.810 123.8 51.9 -51.7 -38.7 31.3 62.6 -6.2 73 90 A D T 3 S- 0 0 119 1,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.235 122.5-106.8 -82.5 13.3 28.7 61.0 -8.5 74 91 A Q S < S+ 0 0 105 -3,-2.5 -2,-0.1 1,-0.3 -1,-0.0 0.397 82.3 128.1 75.3 -1.2 29.2 57.6 -6.7 75 92 A S - 0 0 42 -5,-0.1 -4,-3.1 1,-0.0 2,-0.4 -0.250 57.2-126.0 -68.2 169.3 31.1 56.2 -9.8 76 93 A I E -G 70 0C 19 -6,-0.2 2,-0.3 72,-0.1 -6,-0.2 -0.992 21.9-165.7-124.4 132.9 34.4 54.6 -9.2 77 94 A K E -G 69 0C 80 -8,-2.4 -8,-2.8 -2,-0.4 2,-0.4 -0.873 4.1-162.9-117.0 155.0 37.6 55.6 -11.0 78 95 A V E +GH 68 146C 0 68,-0.5 68,-3.0 -2,-0.3 2,-0.3 -0.997 17.7 161.7-137.3 124.5 41.0 53.8 -11.3 79 96 A F E -GH 67 145C 0 -12,-1.9 -12,-2.6 -2,-0.4 66,-0.2 -0.971 45.3 -79.9-145.1 160.1 44.2 55.4 -12.3 80 97 A L E -G 66 0C 17 64,-2.4 2,-2.1 -2,-0.3 -14,-0.3 -0.238 35.3-130.8 -60.4 135.5 47.9 54.8 -12.2 81 98 A N S S+ 0 0 6 -16,-3.2 2,-0.3 8,-0.1 -1,-0.1 -0.403 72.5 108.6 -85.9 64.1 49.5 55.7 -8.8 82 99 A Q - 0 0 84 -2,-2.1 7,-0.2 7,-0.2 6,-0.2 -0.914 68.8-125.4-148.5 119.5 52.3 57.6 -10.5 83 100 A C > - 0 0 4 5,-3.4 4,-1.2 -2,-0.3 59,-0.1 -0.303 17.4-139.9 -58.1 135.1 53.0 61.4 -10.7 84 101 A R T 4 S+ 0 0 97 57,-0.4 -1,-0.1 2,-0.2 58,-0.1 0.560 92.4 65.0 -81.0 -2.7 53.3 62.6 -14.3 85 102 A H T 4 S- 0 0 50 3,-0.1 -1,-0.2 56,-0.1 -3,-0.0 0.971 132.8 -21.2 -80.6 -64.4 56.2 64.9 -13.5 86 103 A R T 4 S- 0 0 185 2,-0.1 -2,-0.2 0, 0.0 -1,-0.0 0.343 95.9 -97.3-130.0 9.4 58.9 62.5 -12.4 87 104 A G < + 0 0 30 -4,-1.2 -3,-0.1 1,-0.2 3,-0.1 0.516 60.9 160.2 98.3 3.1 57.0 59.4 -11.4 88 105 A M - 0 0 68 -6,-0.2 -5,-3.4 1,-0.1 2,-0.3 -0.224 52.2 -98.1 -62.1 150.7 56.6 59.6 -7.6 89 106 A R - 0 0 110 -7,-0.2 15,-0.4 1,-0.2 -7,-0.2 -0.537 33.7-157.9 -63.4 125.2 53.9 57.5 -5.9 90 107 A I S S+ 0 0 3 -2,-0.3 2,-0.5 1,-0.2 12,-0.2 0.934 76.6 39.3 -74.5 -44.9 51.1 59.9 -5.5 91 108 A V - 0 0 8 10,-0.1 -1,-0.2 1,-0.1 12,-0.1 -0.947 60.1-177.0-109.0 123.5 49.3 58.1 -2.6 92 109 A R + 0 0 118 -2,-0.5 2,-0.2 -3,-0.1 -1,-0.1 0.404 56.3 81.5-103.2 -1.1 51.4 56.5 0.1 93 110 A S S S- 0 0 2 1,-0.1 410,-0.2 410,-0.1 3,-0.1 -0.636 79.7-121.5-104.5 163.4 48.7 54.8 2.2 94 111 A D S S- 0 0 29 408,-2.9 -36,-2.0 1,-0.3 2,-0.3 0.678 85.3 -43.1 -72.5 -21.5 46.8 51.6 1.8 95 112 A G E S+E 57 0C 5 407,-0.4 2,-0.3 -38,-0.2 -1,-0.3 -0.896 71.2 133.4 168.0 163.3 43.4 53.5 1.8 96 113 A G E -E 56 0C 15 -40,-1.5 -40,-2.4 -2,-0.3 2,-0.4 -0.966 57.4 -58.4 169.3-152.3 41.5 56.3 3.5 97 114 A N E -E 55 0C 60 -2,-0.3 2,-0.3 -42,-0.2 -42,-0.3 -0.988 51.0-178.4-120.7 132.3 39.5 59.3 2.6 98 115 A A - 0 0 4 -44,-2.4 3,-0.1 -2,-0.4 14,-0.1 -0.946 34.5-172.1-126.7 152.5 40.8 62.1 0.4 99 116 A K S S+ 0 0 184 1,-0.4 13,-0.5 -2,-0.3 2,-0.3 0.463 90.4 4.4 -99.6 -18.9 39.8 65.5 -1.1 100 117 A A - 0 0 42 11,-0.2 2,-0.6 12,-0.1 -1,-0.4 -0.982 64.5-131.9-162.5 152.4 43.0 65.5 -3.1 101 118 A F E -I 110 0D 8 9,-3.4 9,-3.0 -2,-0.3 2,-0.5 -0.972 28.8-167.0-114.5 114.5 46.0 63.4 -3.9 102 119 A T E -I 109 0D 66 -2,-0.6 2,-0.4 7,-0.2 7,-0.2 -0.904 19.3-134.6-109.5 130.6 49.3 65.3 -3.6 103 120 A C > - 0 0 3 5,-3.1 4,-1.7 -2,-0.5 -13,-0.1 -0.677 13.3-152.4 -75.7 123.5 52.7 64.3 -4.8 104 121 A T T 4 S+ 0 0 81 -2,-0.4 -1,-0.1 -15,-0.4 -14,-0.1 0.461 83.7 69.0 -78.9 -6.1 55.2 64.9 -2.0 105 122 A Y T 4 S- 0 0 157 3,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.978 128.5 -7.6 -80.4 -63.5 58.2 65.5 -4.4 106 123 A H T 4 S- 0 0 79 2,-0.1 -2,-0.2 14,-0.0 -1,-0.1 0.369 97.8-109.9-117.4 7.2 57.2 68.7 -6.1 107 124 A G < + 0 0 24 -4,-1.7 -3,-0.1 1,-0.3 2,-0.1 0.596 52.9 166.0 87.3 11.2 53.7 69.1 -4.6 108 125 A W - 0 0 13 -5,-0.1 -5,-3.1 11,-0.1 2,-0.4 -0.430 25.6-149.4 -58.2 129.9 51.7 68.5 -7.8 109 126 A A E -IJ 102 118D 14 9,-2.8 8,-2.6 -7,-0.2 9,-1.5 -0.911 13.1-163.6-120.4 140.8 48.1 67.9 -6.6 110 127 A Y E -IJ 101 116D 0 -9,-3.0 -9,-3.4 -2,-0.4 6,-0.2 -0.900 16.9-128.4-121.2 140.3 45.4 65.8 -8.1 111 128 A D > - 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