==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-JUL-08 3DML . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR Y.CARIUS,C.G.FRIEDRICH,A.J.SCHEIDIG . 95 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5339.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 15.8 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 1.1 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 . 11 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 1 0 0 0 1 0 0 0 0 0 1 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 2 A E 0 0 149 0, 0.0 66,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 16.2 -8.0 22.5 3.1 2 3 A L E +A 66 0A 10 32,-0.3 2,-0.3 64,-0.2 64,-0.2 -0.657 360.0 169.3 -81.0 138.9 -8.4 25.7 1.1 3 4 A R E -A 65 0A 70 62,-1.7 62,-2.9 -2,-0.3 2,-0.6 -0.985 27.3-138.1-141.6 148.0 -10.3 28.7 2.6 4 5 A L E -Ab 64 37A 0 32,-2.4 34,-2.2 -2,-0.3 2,-0.5 -0.932 16.3-156.7-109.0 113.7 -10.6 32.3 1.4 5 6 A L E -Ab 63 38A 2 58,-3.1 58,-3.1 -2,-0.6 2,-0.6 -0.763 4.2-159.7 -86.5 129.0 -10.5 34.8 4.2 6 7 A X E -Ab 62 39A 0 32,-2.9 34,-2.6 -2,-0.5 2,-0.5 -0.951 5.5-153.3-111.8 117.2 -12.1 38.1 3.4 7 8 A F E +Ab 61 40A 5 54,-3.0 54,-1.2 -2,-0.6 34,-0.2 -0.800 22.9 169.4 -95.4 127.0 -10.9 41.0 5.6 8 9 A E E - b 0 41A 28 32,-2.9 34,-3.0 -2,-0.5 35,-0.3 -0.708 17.8-165.9-126.3 171.1 -13.4 43.8 6.0 9 10 A Q > - 0 0 52 -2,-0.2 3,-1.4 32,-0.2 6,-0.1 -0.962 41.0 -76.1-153.4 160.0 -14.0 47.0 8.1 10 11 A P T 3 S+ 0 0 108 0, 0.0 3,-0.1 0, 0.0 31,-0.0 -0.284 113.6 15.3 -57.0 139.8 -16.9 49.3 8.8 11 12 A G T 3 S+ 0 0 87 1,-0.2 2,-1.0 2,-0.1 0, 0.0 0.584 81.1 150.4 74.1 11.6 -17.8 51.7 6.0 12 13 A C <> - 0 0 22 -3,-1.4 4,-2.0 1,-0.2 -1,-0.2 -0.664 27.1-170.0 -80.9 104.2 -15.8 49.9 3.3 13 14 A L H > S+ 0 0 101 -2,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.887 84.9 52.2 -60.7 -42.0 -17.6 50.6 0.1 14 15 A Y H > S+ 0 0 105 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.847 107.2 52.8 -68.6 -34.3 -15.6 48.0 -1.9 15 16 A C H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.924 109.7 49.7 -56.2 -47.9 -16.4 45.3 0.7 16 17 A A H X S+ 0 0 57 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.875 108.9 52.5 -63.6 -37.3 -20.1 46.1 0.3 17 18 A R H X S+ 0 0 110 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.924 110.7 46.2 -62.1 -42.8 -19.7 45.9 -3.5 18 19 A W H X>S+ 0 0 0 -4,-2.0 5,-2.5 1,-0.2 4,-2.3 0.911 110.5 54.1 -65.7 -43.1 -18.1 42.4 -3.3 19 20 A D H <5S+ 0 0 50 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.846 116.1 39.1 -57.5 -37.5 -20.9 41.3 -0.8 20 21 A A H <5S+ 0 0 74 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.826 127.7 31.1 -79.1 -35.4 -23.5 42.4 -3.3 21 22 A E H <5S+ 0 0 75 -4,-2.4 4,-0.3 -5,-0.2 -3,-0.2 0.897 132.9 15.1 -97.1 -48.6 -21.8 41.2 -6.5 22 23 A I T >X5S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 3,-0.8 0.855 109.5 70.8 -97.0 -46.4 -19.7 38.2 -5.8 23 24 A A T 34< S+ 0 0 2 -4,-2.5 3,-1.7 1,-0.3 6,-0.5 0.837 88.5 40.7 -49.2 -56.7 -19.6 32.5 -4.6 27 28 A P G 3 S+ 0 0 78 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.625 111.9 60.7 -71.0 -5.5 -20.6 29.3 -2.8 28 29 A L G < S+ 0 0 140 -3,-1.9 2,-0.2 -4,-0.2 -2,-0.2 0.427 94.7 78.2 -95.8 -2.2 -22.6 28.2 -5.8 29 30 A T S <> S- 0 0 36 -3,-1.7 4,-2.1 -4,-0.4 5,-0.2 -0.687 88.3-115.8-104.9 157.1 -19.5 28.2 -8.1 30 31 A D H > S+ 0 0 126 -2,-0.2 4,-1.8 2,-0.2 5,-0.1 0.909 117.5 49.6 -54.6 -44.2 -16.7 25.6 -8.5 31 32 A E H > S+ 0 0 50 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.927 110.1 49.2 -61.5 -47.9 -14.2 28.3 -7.2 32 33 A G H 4 S+ 0 0 2 -6,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.848 112.1 48.9 -61.4 -35.1 -16.3 29.2 -4.2 33 34 A R H < S+ 0 0 160 -4,-2.1 -1,-0.2 -7,-0.2 -2,-0.2 0.798 108.8 52.8 -76.8 -27.9 -16.7 25.5 -3.4 34 35 A A H < S+ 0 0 44 -4,-1.8 -32,-0.3 1,-0.3 -2,-0.2 0.824 126.3 22.7 -72.5 -32.8 -12.9 24.9 -3.7 35 36 A A S < S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.1 -32,-0.2 -0.644 83.0-152.7-138.7 78.7 -12.2 27.8 -1.3 36 37 A P - 0 0 55 0, 0.0 -32,-2.4 0, 0.0 2,-0.2 -0.216 22.5-120.3 -56.2 138.0 -15.1 28.6 1.0 37 38 A V E -b 4 0A 31 -34,-0.2 2,-0.4 -5,-0.1 -32,-0.2 -0.531 27.2-176.0 -85.3 143.2 -15.1 32.3 2.2 38 39 A Q E -b 5 0A 92 -34,-2.2 -32,-2.9 -2,-0.2 2,-0.3 -0.988 18.2-140.3-135.4 126.1 -14.9 33.4 5.8 39 40 A R E +b 6 0A 111 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.685 24.0 171.9 -89.6 146.2 -15.2 37.1 6.7 40 41 A L E -b 7 0A 44 -34,-2.6 -32,-2.9 -2,-0.3 2,-0.4 -0.945 34.8-107.5-144.0 160.5 -13.1 38.7 9.4 41 42 A Q E > -b 8 0A 68 -2,-0.3 3,-1.2 -34,-0.2 -32,-0.2 -0.789 21.7-136.2 -92.7 132.7 -12.5 42.3 10.6 42 43 A X T 3 S+ 0 0 31 -34,-3.0 14,-0.2 -2,-0.4 -33,-0.1 0.845 102.8 48.4 -55.2 -38.1 -9.2 43.8 9.7 43 44 A R T 3 S+ 0 0 177 -35,-0.3 -1,-0.2 2,-0.0 3,-0.1 0.573 92.9 94.3 -87.7 -4.3 -8.7 45.3 13.2 44 45 A D S < S- 0 0 101 -3,-1.2 2,-0.0 1,-0.1 -4,-0.0 -0.445 87.2 -96.3 -78.7 155.2 -9.6 42.2 15.2 45 46 A P - 0 0 119 0, 0.0 -4,-0.2 0, 0.0 -1,-0.1 -0.386 53.2 -99.3 -58.1 148.2 -7.0 39.7 16.5 46 47 A L - 0 0 73 1,-0.1 3,-0.1 4,-0.1 -4,-0.0 -0.402 40.8 -93.2 -70.1 149.7 -6.7 36.7 14.2 47 48 A P > - 0 0 48 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.350 62.1 -86.3 -55.9 141.3 -8.6 33.5 14.9 48 49 A P T 3 S+ 0 0 131 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.218 110.9 20.7 -53.2 141.9 -6.1 31.2 16.8 49 50 A G T 3 S+ 0 0 44 1,-0.2 2,-0.5 -3,-0.1 -3,-0.0 0.267 86.9 130.8 88.8 -10.1 -3.7 29.1 14.7 50 51 A L < - 0 0 15 -3,-1.5 2,-0.7 19,-0.1 -1,-0.2 -0.650 41.5-159.7 -86.3 123.0 -4.0 31.2 11.5 51 52 A E B -c 69 0A 117 17,-3.2 19,-2.7 -2,-0.5 2,-0.3 -0.891 7.4-171.1-111.2 109.5 -0.6 32.1 10.0 52 53 A L - 0 0 40 -2,-0.7 13,-0.0 17,-0.2 4,-0.0 -0.738 26.3-136.2 -94.0 151.1 -0.5 35.1 7.7 53 54 A A S S- 0 0 81 -2,-0.3 -1,-0.1 1,-0.2 16,-0.0 0.768 87.7 -9.5 -72.5 -29.7 2.6 36.1 5.6 54 55 A R S S- 0 0 116 -3,-0.0 -1,-0.2 0, 0.0 3,-0.0 -0.960 91.4 -73.3-161.0 163.0 2.1 39.8 6.5 55 56 A P - 0 0 96 0, 0.0 2,-0.6 0, 0.0 -2,-0.0 -0.168 45.9-110.6 -61.3 157.4 -0.5 42.0 8.2 56 57 A V + 0 0 20 -14,-0.2 3,-0.1 1,-0.1 5,-0.0 -0.851 46.7 161.0 -86.3 121.9 -3.8 42.9 6.5 57 58 A T + 0 0 101 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.411 54.8 51.0-122.7 -0.8 -3.5 46.6 5.7 58 59 A F S S- 0 0 106 18,-0.0 -51,-0.1 -16,-0.0 -1,-0.1 -0.977 80.0-110.9-140.7 140.0 -6.2 47.1 3.0 59 60 A T S S+ 0 0 11 -2,-0.3 -45,-0.2 1,-0.2 -51,-0.1 -0.996 95.5 35.2-122.6 139.9 -9.9 46.2 2.8 60 61 A P S S+ 0 0 0 0, 0.0 16,-3.2 0, 0.0 2,-0.4 0.485 78.6 161.2 -77.4 142.8 -11.2 44.2 1.1 61 62 A T E -AD 7 75A 0 -54,-1.2 -54,-3.0 14,-0.2 2,-0.6 -0.998 23.6-156.8-122.5 137.5 -8.3 41.7 1.2 62 63 A F E -AD 6 74A 0 12,-3.3 12,-2.6 -2,-0.4 2,-0.6 -0.955 8.5-166.2-115.2 116.0 -8.8 38.1 0.3 63 64 A V E -AD 5 73A 0 -58,-3.1 -58,-3.1 -2,-0.6 2,-0.7 -0.907 11.6-146.8-107.8 121.8 -6.3 35.7 1.7 64 65 A L E -AD 4 72A 0 8,-2.6 7,-3.8 -2,-0.6 8,-1.6 -0.782 20.2-163.9 -86.6 118.7 -6.2 32.1 0.3 65 66 A X E -AD 3 70A 0 -62,-2.9 -62,-1.7 -2,-0.7 2,-0.6 -0.840 15.9-158.3-102.6 137.3 -5.2 29.8 3.2 66 67 A A E > S-AD 2 69A 25 3,-3.0 3,-1.6 -2,-0.4 2,-0.3 -0.961 76.9 -43.3-111.7 108.2 -4.0 26.3 2.7 67 68 A G T 3 S- 0 0 26 -66,-2.9 -64,-0.1 -2,-0.6 -2,-0.0 -0.511 126.0 -23.8 63.1-128.5 -4.7 24.7 6.0 68 69 A D T 3 S+ 0 0 98 -2,-0.3 -17,-3.2 -3,-0.1 2,-0.4 0.272 123.3 83.1 -98.7 16.8 -3.7 27.2 8.6 69 70 A V E < S-cD 51 66A 80 -3,-1.6 -3,-3.0 -19,-0.2 -17,-0.2 -0.960 81.4-108.8-130.9 135.0 -1.1 29.1 6.5 70 71 A E E + D 0 65A 26 -19,-2.7 -5,-0.3 -2,-0.4 3,-0.1 -0.351 29.1 178.2 -57.8 129.7 -1.5 31.9 3.9 71 72 A S E - 0 0 40 -7,-3.8 2,-0.3 1,-0.5 -6,-0.2 0.762 64.6 -39.6 -98.0 -40.7 -0.8 30.6 0.4 72 73 A G E - D 0 64A 11 -8,-1.6 -8,-2.6 2,-0.0 -1,-0.5 -0.963 57.1-139.0-171.8 175.9 -1.4 33.9 -1.4 73 74 A R E - D 0 63A 26 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.988 8.1-146.0-150.9 156.8 -3.7 37.0 -1.4 74 75 A L E - D 0 62A 13 -12,-2.6 -12,-3.3 -2,-0.3 2,-0.5 -0.997 19.1-154.8-118.4 130.0 -5.6 39.4 -3.5 75 76 A E E + D 0 61A 82 -2,-0.4 -14,-0.2 -14,-0.2 -16,-0.1 -0.932 56.7 2.1-109.8 126.4 -5.9 43.0 -2.3 76 77 A G - 0 0 9 -16,-3.2 -14,-0.1 -2,-0.5 3,-0.1 -0.180 68.4-107.8 94.0 172.9 -8.9 45.1 -3.4 77 78 A Y + 0 0 7 -18,-0.1 3,-0.1 1,-0.1 -1,-0.1 -0.685 33.7 167.5-142.4 80.2 -12.0 44.5 -5.6 78 79 A P - 0 0 86 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.570 68.5 -61.6 -76.1 -4.6 -11.7 46.2 -9.0 79 80 A G >> - 0 0 16 1,-0.2 4,-2.1 -3,-0.1 3,-1.5 -0.697 57.8 -69.9 144.6 172.7 -14.7 44.2 -10.2 80 81 A E H 3> S+ 0 0 72 1,-0.3 4,-1.9 -2,-0.2 -1,-0.2 0.869 123.6 54.2 -57.4 -43.9 -16.1 40.8 -11.0 81 82 A D H 34 S+ 0 0 129 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.584 111.0 46.8 -72.5 -12.8 -13.9 40.1 -14.0 82 83 A F H <> S+ 0 0 114 -3,-1.5 4,-1.4 2,-0.1 5,-0.2 0.851 109.3 54.3 -89.8 -40.5 -10.8 40.9 -12.0 83 84 A F H X S+ 0 0 2 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.930 103.9 50.9 -60.0 -56.2 -11.8 38.7 -9.0 84 85 A W H X S+ 0 0 45 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.910 113.6 38.3 -57.7 -53.1 -12.4 35.4 -10.7 85 86 A P H > S+ 0 0 79 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.837 116.8 52.7 -71.7 -27.4 -9.2 34.8 -12.7 86 87 A X H X S+ 0 0 64 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.898 111.1 46.3 -72.8 -36.9 -7.0 36.3 -10.0 87 88 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.926 108.7 56.9 -66.3 -42.5 -8.5 34.0 -7.4 88 89 A A H X S+ 0 0 44 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.900 103.5 53.4 -56.0 -41.4 -8.1 31.1 -9.9 89 90 A R H X S+ 0 0 153 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.914 110.4 47.9 -57.9 -42.6 -4.3 31.9 -10.1 90 91 A L H X S+ 0 0 1 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.929 111.2 48.7 -66.0 -44.7 -4.1 31.6 -6.3 91 92 A I H X S+ 0 0 19 -4,-2.8 4,-0.7 1,-0.2 -2,-0.2 0.920 112.1 50.3 -59.6 -42.0 -6.0 28.4 -6.2 92 93 A G H >< S+ 0 0 43 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.869 109.4 50.6 -63.1 -40.0 -3.8 26.9 -8.9 93 94 A Q H 3< S+ 0 0 89 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.770 102.8 59.7 -74.0 -24.8 -0.7 27.9 -7.1 94 95 A A H 3< 0 0 30 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.684 360.0 360.0 -75.0 -19.3 -1.9 26.3 -3.9 95 96 A E << 0 0 154 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.1 -0.649 360.0 360.0-132.4 360.0 -2.0 23.0 -5.8