==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-MAY-08 3D4T . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR Y.CARIUS,C.G.FRIEDRICH,A.J.SCHEIDIG . 96 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5490.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 15.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 10 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 92 0, 0.0 3,-0.1 0, 0.0 66,-0.0 0.000 360.0 360.0 360.0 131.0 21.8 4.8 -0.7 2 2 A E + 0 0 151 65,-0.1 66,-2.7 1,-0.1 2,-0.3 0.397 360.0 172.7 -90.3 118.8 23.4 4.4 -2.9 3 3 A L E +A 67 0A 13 32,-0.4 2,-0.3 64,-0.2 64,-0.2 -0.599 3.6 170.1 -84.3 140.6 26.6 5.6 -1.1 4 4 A R E -A 66 0A 66 62,-1.6 62,-2.9 -2,-0.3 2,-0.7 -0.982 27.0-136.9-138.6 151.4 30.1 5.4 -2.6 5 5 A L E -Ab 65 38A 0 32,-2.4 34,-2.5 -2,-0.3 2,-0.5 -0.905 16.5-157.2-109.5 108.0 33.4 6.9 -1.5 6 6 A L E -Ab 64 39A 3 58,-2.6 58,-2.7 -2,-0.7 2,-0.6 -0.701 4.7-159.4 -79.4 127.1 35.5 8.4 -4.3 7 7 A M E -Ab 63 40A 0 32,-2.9 34,-2.8 -2,-0.5 2,-0.5 -0.938 5.7-154.3-109.5 112.9 39.1 8.6 -3.4 8 8 A F E +Ab 62 41A 3 54,-3.2 54,-1.2 -2,-0.6 2,-0.2 -0.752 23.9 166.6 -89.5 129.4 41.0 11.0 -5.6 9 9 A E E - b 0 42A 24 32,-2.6 34,-2.8 -2,-0.5 35,-0.3 -0.797 18.5-166.7-131.7 172.5 44.7 10.3 -6.0 10 10 A Q > - 0 0 55 -2,-0.2 3,-1.3 32,-0.2 6,-0.1 -0.967 41.0 -74.9-154.8 161.1 47.7 11.3 -8.1 11 11 A P T 3 S+ 0 0 107 0, 0.0 3,-0.1 0, 0.0 31,-0.0 -0.275 116.1 21.0 -53.6 140.1 51.3 10.0 -8.7 12 12 A G T 3 S+ 0 0 86 1,-0.2 2,-1.4 2,-0.1 3,-0.2 0.651 80.6 148.6 74.2 13.6 53.8 10.8 -5.9 13 13 A a <> - 0 0 20 -3,-1.3 4,-2.1 1,-0.2 -1,-0.2 -0.674 23.1-178.0 -83.6 92.4 50.9 11.2 -3.3 14 14 A L H > S+ 0 0 98 -2,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.894 82.7 52.0 -54.9 -43.1 52.6 9.9 -0.1 15 15 A Y H > S+ 0 0 108 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.851 107.3 52.7 -69.6 -31.1 49.4 10.5 1.9 16 16 A a H > S+ 0 0 4 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.930 109.7 48.7 -60.7 -47.6 47.4 8.4 -0.7 17 17 A A H X S+ 0 0 58 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.877 108.5 54.8 -63.3 -37.7 49.9 5.6 -0.3 18 18 A R H X S+ 0 0 110 -4,-2.2 4,-2.0 2,-0.2 5,-0.3 0.921 109.0 47.1 -60.0 -45.3 49.6 5.9 3.5 19 19 A W H X>S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 5,-1.9 0.907 110.1 53.6 -58.3 -45.5 45.8 5.5 3.1 20 20 A D H <5S+ 0 0 51 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.819 115.7 39.6 -60.8 -35.7 46.3 2.5 0.8 21 21 A A H <5S+ 0 0 73 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.825 126.8 31.5 -81.5 -35.3 48.5 0.8 3.3 22 22 A E H <5S+ 0 0 76 -4,-2.0 4,-0.3 -5,-0.2 -3,-0.2 0.900 131.7 14.9 -97.2 -48.4 46.6 1.7 6.5 23 23 A I T >X5S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 3,-0.6 0.864 108.7 71.6 -97.9 -45.1 42.9 1.9 5.8 24 24 A A T 34< S+ 0 0 1 -4,-2.6 3,-1.6 1,-0.3 6,-0.4 0.783 89.9 38.7 -49.1 -56.0 38.0 -0.8 4.6 28 28 A P G 3 S+ 0 0 76 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.537 112.7 61.3 -74.1 -1.0 35.6 -3.2 2.8 29 29 A L G < S+ 0 0 140 -3,-2.2 2,-0.2 -4,-0.1 -2,-0.2 0.399 95.6 75.5-101.8 0.3 35.7 -5.5 5.8 30 30 A T S <> S- 0 0 37 -3,-1.6 4,-2.1 -4,-0.3 5,-0.1 -0.687 89.1-114.5-109.5 160.0 34.1 -2.8 8.1 31 31 A D H > S+ 0 0 127 -2,-0.2 4,-1.9 2,-0.2 5,-0.1 0.898 118.2 47.7 -57.2 -45.7 30.6 -1.5 8.4 32 32 A E H > S+ 0 0 48 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.929 111.4 50.2 -60.9 -48.7 31.6 1.9 7.2 33 33 A G H 4 S+ 0 0 1 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.878 113.3 46.7 -55.9 -40.8 33.5 0.5 4.3 34 34 A R H < S+ 0 0 160 -4,-2.1 -1,-0.2 -7,-0.2 -2,-0.2 0.784 108.9 53.5 -76.4 -30.3 30.5 -1.6 3.4 35 35 A A H < S+ 0 0 49 -4,-1.9 -32,-0.4 1,-0.2 -2,-0.2 0.806 126.1 22.7 -70.2 -30.2 28.0 1.3 3.7 36 36 A A S < S- 0 0 0 -4,-1.9 -1,-0.2 -5,-0.1 -32,-0.2 -0.653 84.3-151.8-140.5 80.2 30.2 3.4 1.2 37 37 A P - 0 0 61 0, 0.0 -32,-2.4 0, 0.0 2,-0.2 -0.231 23.3-115.2 -59.9 139.7 32.4 1.3 -1.0 38 38 A V E -b 5 0A 31 -34,-0.2 2,-0.4 -5,-0.1 -32,-0.2 -0.483 28.9-175.0 -81.2 143.8 35.6 3.0 -2.2 39 39 A Q E -b 6 0A 112 -34,-2.5 -32,-2.9 -2,-0.2 2,-0.3 -0.981 17.2-141.4-137.0 122.6 36.3 3.9 -5.8 40 40 A R E +b 7 0A 111 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.692 23.9 171.5 -90.1 139.3 39.7 5.4 -6.8 41 41 A L E -b 8 0A 43 -34,-2.8 -32,-2.6 -2,-0.3 2,-0.5 -0.927 34.4-110.6-137.4 159.5 40.1 8.1 -9.4 42 42 A Q E > -b 9 0A 69 -2,-0.3 3,-1.1 -34,-0.2 -32,-0.2 -0.826 21.7-136.3 -90.6 131.9 42.9 10.3 -10.6 43 43 A M T 3 S+ 0 0 28 -34,-2.8 14,-0.2 -2,-0.5 -33,-0.1 0.849 101.9 47.0 -52.0 -41.2 42.5 14.0 -9.7 44 44 A R T 3 S+ 0 0 180 -35,-0.3 -1,-0.2 2,-0.0 3,-0.1 0.557 93.3 92.2 -88.4 -7.0 43.6 15.2 -13.2 45 45 A D S < S- 0 0 98 -3,-1.1 -4,-0.0 1,-0.1 0, 0.0 -0.484 88.6 -94.0 -76.5 156.1 41.4 12.8 -15.3 46 46 A P - 0 0 121 0, 0.0 -4,-0.2 0, 0.0 -1,-0.1 -0.325 51.7-100.4 -60.1 151.0 37.9 13.8 -16.5 47 47 A L - 0 0 70 1,-0.1 3,-0.1 4,-0.1 -4,-0.0 -0.455 41.6 -91.9 -71.5 149.9 35.2 12.6 -14.1 48 48 A P > - 0 0 45 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.291 61.3 -86.6 -52.8 142.5 33.2 9.5 -14.9 49 49 A P T 3 S+ 0 0 129 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.254 111.4 19.8 -51.6 142.2 30.0 10.5 -16.9 50 50 A G T 3 S+ 0 0 40 1,-0.2 2,-0.4 -3,-0.1 19,-0.0 0.160 86.7 129.5 87.4 -18.4 27.0 11.5 -14.7 51 51 A L < - 0 0 16 -3,-1.5 2,-0.6 19,-0.1 -1,-0.2 -0.582 42.1-159.7 -80.1 125.0 29.0 12.2 -11.5 52 52 A E B -c 70 0A 115 17,-3.5 19,-2.4 -2,-0.4 2,-0.3 -0.901 7.5-170.8-113.2 111.3 28.2 15.6 -10.1 53 53 A L - 0 0 40 -2,-0.6 13,-0.0 17,-0.2 4,-0.0 -0.752 27.4-134.3 -99.8 152.0 30.6 17.2 -7.6 54 54 A A S S- 0 0 82 -2,-0.3 -1,-0.1 1,-0.2 16,-0.0 0.790 87.6 -11.6 -70.8 -31.0 30.0 20.3 -5.5 55 55 A R S S- 0 0 116 -3,-0.0 -1,-0.2 0, 0.0 0, 0.0 -0.958 90.0 -69.7-160.2 165.5 33.5 21.7 -6.5 56 56 A P - 0 0 94 0, 0.0 2,-0.6 0, 0.0 -13,-0.0 -0.177 44.7-116.1 -56.3 154.9 36.7 20.7 -8.2 57 57 A V + 0 0 20 -14,-0.2 3,-0.1 1,-0.1 5,-0.0 -0.869 46.0 157.9 -88.1 121.8 39.1 18.2 -6.5 58 58 A T + 0 0 101 -2,-0.6 2,-0.4 1,-0.1 -1,-0.1 0.430 54.3 57.1-123.1 -3.6 42.3 20.2 -5.9 59 59 A F S S- 0 0 112 -16,-0.0 18,-0.1 18,-0.0 -51,-0.1 -0.973 79.1-114.8-131.8 140.3 43.9 18.2 -3.1 60 60 A T S S+ 0 0 15 -2,-0.4 -45,-0.2 1,-0.2 -51,-0.1 -0.988 94.4 36.3-122.6 140.1 45.0 14.5 -2.9 61 61 A P S S+ 0 0 0 0, 0.0 16,-3.0 0, 0.0 2,-0.4 0.488 78.2 159.4 -74.9 139.3 43.9 12.4 -1.1 62 62 A T E -AD 8 76A 0 -54,-1.2 -54,-3.2 14,-0.2 2,-0.6 -0.994 23.8-158.7-119.4 138.4 40.3 13.7 -1.2 63 63 A F E -AD 7 75A 0 12,-3.0 12,-2.4 -2,-0.4 2,-0.6 -0.971 7.8-164.5-114.9 112.8 37.4 11.3 -0.3 64 64 A V E -AD 6 74A 0 -58,-2.7 -58,-2.6 -2,-0.6 2,-0.7 -0.902 11.4-145.1-101.2 120.0 34.1 12.4 -1.8 65 65 A L E -AD 5 73A 0 8,-2.3 7,-3.4 -2,-0.6 8,-1.5 -0.749 21.6-162.7 -79.9 117.3 31.0 10.8 -0.3 66 66 A M E -AD 4 71A 0 -62,-2.9 -62,-1.6 -2,-0.7 2,-0.6 -0.845 17.4-159.6-103.6 136.5 28.4 10.4 -3.1 67 67 A A E > S-AD 3 70A 31 3,-3.0 3,-1.6 -2,-0.4 2,-0.4 -0.961 78.0 -44.5-109.9 104.1 24.7 9.8 -2.7 68 68 A G T 3 S- 0 0 30 -66,-2.7 -66,-0.1 -2,-0.6 -64,-0.1 -0.544 124.2 -24.6 66.9-128.2 23.8 8.4 -6.1 69 69 A D T 3 S+ 0 0 91 -2,-0.4 -17,-3.5 -18,-0.1 2,-0.4 0.285 123.4 84.8-100.1 13.5 25.5 10.5 -8.7 70 70 A V E < S-cD 52 67A 82 -3,-1.6 -3,-3.0 -19,-0.2 -17,-0.2 -0.940 81.9-111.5-125.2 134.3 25.7 13.6 -6.4 71 71 A E E - D 0 66A 25 -19,-2.4 -5,-0.3 -2,-0.4 3,-0.1 -0.420 27.1-179.4 -59.5 127.8 28.3 14.7 -3.9 72 72 A S E - 0 0 38 -7,-3.4 2,-0.3 1,-0.4 -6,-0.2 0.771 65.2 -43.9 -91.8 -39.8 26.9 14.6 -0.3 73 73 A G E - D 0 65A 13 -8,-1.5 -8,-2.3 2,-0.0 -1,-0.4 -0.962 56.8-136.4-176.8 175.4 30.2 15.8 1.3 74 74 A R E - D 0 64A 27 -2,-0.3 2,-0.4 -10,-0.3 -10,-0.2 -0.978 6.5-141.0-149.0 160.6 33.9 15.3 1.3 75 75 A L E - D 0 63A 12 -12,-2.4 -12,-3.0 -2,-0.3 2,-0.6 -0.998 17.8-152.9-121.2 132.2 37.1 14.8 3.4 76 76 A E E - D 0 62A 87 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.1 -0.914 57.3 -3.8-108.2 116.6 40.3 16.4 2.4 77 77 A G - 0 0 12 -16,-3.0 -14,-0.1 -2,-0.6 3,-0.0 -0.341 66.1-104.9 99.2 172.1 43.4 14.8 3.5 78 78 A Y + 0 0 7 -18,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.638 34.6 166.2-141.0 79.2 44.5 11.9 5.6 79 79 A P S S- 0 0 91 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.541 70.1 -57.8 -69.3 -9.1 45.9 13.0 9.0 80 80 A G >> - 0 0 17 1,-0.1 4,-1.9 -3,-0.0 3,-1.2 -0.710 58.4 -73.0 146.2 168.1 45.7 9.4 10.3 81 81 A E H 3> S+ 0 0 72 1,-0.3 4,-1.8 -2,-0.2 -1,-0.1 0.855 123.8 53.3 -55.5 -44.1 43.4 6.5 10.9 82 82 A D H 34 S+ 0 0 129 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.614 110.5 48.4 -73.6 -14.9 41.7 8.0 13.9 83 83 A F H <> S+ 0 0 113 -3,-1.2 4,-1.4 2,-0.1 5,-0.2 0.852 109.1 53.5 -85.4 -39.0 40.8 11.1 11.9 84 84 A F H X S+ 0 0 5 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.933 103.9 51.2 -63.0 -54.7 39.4 9.2 8.9 85 85 A W H X S+ 0 0 46 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.896 114.0 38.6 -58.9 -51.3 36.9 6.9 10.6 86 86 A P H > S+ 0 0 77 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.821 116.5 51.5 -74.9 -26.7 34.8 9.4 12.7 87 87 A M H X S+ 0 0 92 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.879 111.7 47.7 -73.5 -35.0 34.9 12.2 10.0 88 88 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.934 108.0 55.9 -65.8 -45.2 33.7 9.7 7.4 89 89 A A H X S+ 0 0 44 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.890 104.9 53.1 -54.8 -42.0 31.0 8.6 9.9 90 90 A R H X S+ 0 0 155 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.901 110.2 47.5 -59.4 -43.4 29.8 12.2 10.1 91 91 A L H X S+ 0 0 2 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.931 113.0 47.7 -62.0 -44.6 29.5 12.3 6.3 92 92 A I H < S+ 0 0 18 -4,-2.8 4,-0.4 1,-0.2 3,-0.3 0.899 109.6 54.8 -64.2 -40.8 27.6 9.0 6.2 93 93 A G H >< S+ 0 0 45 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.834 107.0 49.3 -57.7 -38.7 25.3 10.1 8.9 94 94 A Q H 3< S+ 0 0 95 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.723 98.5 66.0 -82.6 -19.6 24.3 13.3 7.0 95 95 A A T 3< 0 0 28 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.572 360.0 360.0 -76.4 -10.3 23.6 11.4 3.8 96 96 A E < 0 0 141 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 -0.466 360.0 360.0-143.2 360.0 20.8 9.8 5.7