==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-NOV-11 3USS . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR S.M.WILBANKS,E.P.TCHESNOKOV,G.N.L.JAMESON . 392 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18513.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 115 29.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 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 . 37 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 6 1 5 4 2 4 2 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 . 3 0 0 2 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 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 3 A S 0 0 169 0, 0.0 2,-0.4 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-164.0 10.4 13.8 -41.1 2 4 A I - 0 0 124 1,-0.1 2,-0.2 2,-0.0 0, 0.0 -0.696 360.0-112.3 -75.1 133.3 7.6 11.1 -41.0 3 5 A L - 0 0 71 -2,-0.4 2,-2.4 1,-0.1 42,-0.3 -0.445 18.3-127.0 -64.6 133.7 5.6 11.3 -37.8 4 6 A R >> + 0 0 78 40,-4.0 3,-1.9 1,-0.2 4,-0.5 -0.266 48.3 157.2 -75.9 59.9 6.1 8.3 -35.6 5 7 A L H 3> + 0 0 28 -2,-2.4 4,-1.8 1,-0.3 3,-0.4 0.668 60.4 73.5 -63.5 -14.9 2.4 7.6 -35.4 6 8 A D H 3> S+ 0 0 54 1,-0.2 4,-2.5 -3,-0.2 -1,-0.3 0.808 86.5 62.9 -71.3 -28.0 3.0 4.0 -34.5 7 9 A R H <> S+ 0 0 60 -3,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.887 108.9 42.2 -59.3 -37.2 4.1 5.1 -31.0 8 10 A L H X S+ 0 0 1 -4,-0.5 4,-2.4 -3,-0.4 -2,-0.2 0.846 112.1 51.6 -78.7 -33.9 0.6 6.4 -30.5 9 11 A R H X S+ 0 0 44 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.894 112.5 49.3 -68.6 -37.0 -1.1 3.5 -32.1 10 12 A Q H X S+ 0 0 103 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.903 110.7 47.4 -69.0 -47.4 0.9 1.3 -29.8 11 13 A F H X S+ 0 0 5 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.917 110.2 53.0 -56.5 -49.3 0.1 3.2 -26.6 12 14 A I H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.955 114.0 43.7 -53.5 -47.6 -3.6 3.2 -27.5 13 15 A G H X S+ 0 0 17 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.909 113.0 49.8 -65.4 -46.4 -3.5 -0.6 -27.9 14 16 A E H X S+ 0 0 86 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.853 109.3 50.5 -64.8 -37.9 -1.5 -1.3 -24.9 15 17 A L H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.816 108.7 52.3 -72.6 -25.9 -3.6 0.8 -22.5 16 18 A A H X S+ 0 0 0 -4,-1.3 4,-0.7 -5,-0.3 -1,-0.2 0.868 108.7 51.1 -76.2 -33.5 -6.8 -0.9 -23.7 17 19 A T H >X S+ 0 0 69 -4,-1.7 3,-1.4 2,-0.2 4,-0.7 0.963 110.0 49.1 -62.5 -56.6 -5.3 -4.3 -23.0 18 20 A L H >< S+ 0 0 19 -4,-2.2 3,-1.6 1,-0.3 -2,-0.2 0.935 109.8 52.0 -42.7 -53.5 -4.3 -3.2 -19.6 19 21 A L H >< S+ 0 0 22 -4,-2.3 3,-1.1 1,-0.3 -1,-0.3 0.728 98.3 67.8 -64.7 -15.2 -7.9 -2.0 -19.2 20 22 A D H << S+ 0 0 63 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.690 90.7 60.8 -79.5 -20.7 -9.2 -5.4 -20.3 21 23 A S T << S- 0 0 86 -3,-1.6 -1,-0.3 -4,-0.7 -2,-0.2 0.338 105.9-128.0 -83.0 7.5 -7.9 -7.1 -17.1 22 24 A R < - 0 0 219 -3,-1.1 -3,-0.1 -4,-0.1 -2,-0.1 0.886 37.3-171.7 45.7 51.6 -10.2 -4.8 -15.0 23 25 A P - 0 0 33 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.210 24.2-109.0 -66.9 162.0 -7.4 -3.7 -12.7 24 26 A D > - 0 0 99 1,-0.1 4,-2.6 4,-0.0 3,-0.3 -0.410 43.0 -92.5 -79.2 169.1 -8.2 -1.6 -9.6 25 27 A E H > S+ 0 0 53 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.914 121.5 48.5 -57.2 -50.9 -7.2 2.1 -9.6 26 28 A S H > S+ 0 0 60 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.877 115.0 45.4 -61.9 -33.1 -3.7 1.8 -8.1 27 29 A T H > S+ 0 0 65 -3,-0.3 4,-2.5 2,-0.2 5,-0.3 0.963 110.4 53.3 -74.8 -46.2 -2.6 -1.0 -10.4 28 30 A L H X S+ 0 0 9 -4,-2.6 4,-1.9 1,-0.2 5,-0.2 0.898 114.6 43.8 -44.8 -46.4 -4.1 0.7 -13.5 29 31 A L H X S+ 0 0 14 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.857 111.6 50.9 -74.0 -36.2 -2.0 3.8 -12.6 30 32 A A H < S+ 0 0 70 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.859 118.5 39.9 -67.1 -31.4 1.2 1.9 -11.7 31 33 A Q H X S+ 0 0 116 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.765 114.9 49.1 -89.2 -31.1 1.0 0.0 -15.0 32 34 A A H X S+ 0 0 1 -4,-1.9 4,-2.2 -5,-0.3 3,-0.3 0.817 95.6 75.9 -80.0 -33.1 -0.1 2.8 -17.3 33 35 A H H X S+ 0 0 81 -4,-1.7 4,-2.1 1,-0.2 3,-0.2 0.916 99.5 41.9 -40.9 -59.0 2.6 5.2 -15.8 34 36 A P H > S+ 0 0 66 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.841 110.8 56.7 -64.9 -30.2 5.4 3.5 -17.8 35 37 A L H X S+ 0 0 39 -4,-0.7 4,-1.2 -3,-0.3 -2,-0.2 0.882 111.8 41.3 -68.6 -39.7 3.3 3.2 -21.0 36 38 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 -3,-0.2 -1,-0.2 0.886 110.2 59.2 -70.4 -40.1 2.6 6.9 -21.2 37 39 A A H < S+ 0 0 23 -4,-2.1 4,-0.3 -5,-0.3 -2,-0.2 0.863 105.2 49.7 -55.6 -40.1 6.2 7.6 -20.2 38 40 A E H >< S+ 0 0 128 -4,-1.7 3,-0.8 1,-0.2 4,-0.4 0.878 108.3 53.2 -66.8 -40.5 7.4 5.7 -23.3 39 41 A L H 3< S+ 0 0 3 -4,-1.2 3,-0.4 1,-0.2 -2,-0.2 0.887 116.1 37.6 -61.6 -39.4 5.0 7.7 -25.5 40 42 A V T 3< S+ 0 0 4 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.242 89.8 96.3-100.0 9.6 6.3 11.1 -24.3 41 43 A H S < S+ 0 0 144 -3,-0.8 2,-0.3 -4,-0.3 -1,-0.2 0.800 94.9 22.6 -65.2 -30.9 10.0 10.0 -24.1 42 44 A Q S S- 0 0 39 -3,-0.4 2,-0.9 -4,-0.4 3,-0.2 -0.985 74.7-134.1-142.3 145.7 10.8 11.4 -27.5 43 45 A D + 0 0 73 -2,-0.3 -3,-0.1 1,-0.2 -4,-0.0 -0.598 69.7 106.3-108.4 69.6 9.0 14.1 -29.5 44 46 A D + 0 0 58 -2,-0.9 -40,-4.0 -40,-0.1 -1,-0.2 0.039 69.8 55.4-133.0 23.4 8.6 12.6 -33.0 45 47 A W + 0 0 1 -42,-0.3 -37,-0.1 -3,-0.2 -2,-0.1 0.605 64.8 106.3-136.6 -17.2 5.0 11.7 -33.2 46 48 A L - 0 0 9 1,-0.1 5,-0.1 2,-0.1 -42,-0.0 -0.628 69.0-119.5 -83.1 121.9 2.4 14.5 -32.6 47 49 A P > - 0 0 20 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.310 23.2-122.1 -55.9 138.0 0.7 15.8 -35.7 48 50 A E G > S+ 0 0 154 1,-0.3 3,-1.4 2,-0.2 -2,-0.1 0.736 109.3 58.5 -54.0 -34.3 1.4 19.5 -36.2 49 51 A D G > S+ 0 0 78 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.730 103.8 54.8 -66.0 -23.0 -2.3 20.6 -36.1 50 52 A C G < S+ 0 0 6 -3,-1.9 -1,-0.3 1,-0.2 11,-0.2 0.130 103.3 56.8 -99.3 15.3 -2.5 19.0 -32.7 51 53 A A G < S+ 0 0 14 -3,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.077 77.4 128.0-129.4 17.2 0.4 21.1 -31.4 52 54 A R < - 0 0 129 -3,-0.6 25,-0.1 25,-0.1 27,-0.1 -0.701 47.9-143.7 -96.2 117.4 -1.0 24.6 -32.2 53 55 A P - 0 0 60 0, 0.0 5,-0.1 0, 0.0 25,-0.1 -0.242 7.9-144.8 -64.2 153.9 -1.1 27.3 -29.6 54 56 A D - 0 0 47 3,-0.5 25,-0.2 23,-0.2 5,-0.1 -0.956 11.2-138.1-116.6 140.3 -4.0 29.8 -29.5 55 57 A P S S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.867 100.1 33.8 -72.6 -24.0 -3.2 33.4 -28.5 56 58 A Q S S+ 0 0 158 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.906 123.9 18.2 -87.8 -45.7 -6.4 33.7 -26.2 57 59 A R S S- 0 0 180 25,-0.1 -3,-0.5 21,-0.0 -1,-0.2 -0.883 76.8-103.4-132.5 152.8 -6.9 30.2 -24.7 58 60 A Y - 0 0 67 -2,-0.3 2,-0.4 25,-0.1 20,-0.2 -0.448 46.0-125.6 -68.8 152.1 -5.0 26.9 -24.1 59 61 A Q E -A 77 0A 26 18,-2.4 18,-2.2 -2,-0.1 2,-0.6 -0.845 16.4-159.5-108.9 140.7 -6.1 24.2 -26.6 60 62 A Q E -A 76 0A 22 -2,-0.4 123,-3.0 16,-0.2 2,-0.6 -0.880 14.1-171.3-119.2 102.5 -7.4 20.7 -26.0 61 63 A Y E -A 75 0A 20 14,-2.4 14,-3.2 -2,-0.6 2,-0.3 -0.807 18.2-136.2 -97.1 116.6 -6.9 18.6 -29.1 62 64 A L E +A 74 0A 0 -2,-0.6 12,-0.2 12,-0.2 3,-0.1 -0.580 26.7 172.7 -72.7 129.9 -8.6 15.2 -29.0 63 65 A L E - 0 0 4 10,-2.8 2,-0.3 1,-0.3 11,-0.2 0.742 61.6 -9.8 -99.8 -41.9 -6.5 12.4 -30.3 64 66 A H E -A 73 0A 8 9,-1.5 9,-2.4 123,-0.0 2,-0.4 -0.977 46.0-161.2-162.3 142.4 -8.5 9.2 -29.5 65 67 A V E -A 72 0A 2 -2,-0.3 7,-0.2 7,-0.2 2,-0.1 -0.996 32.5-118.7-128.7 136.2 -11.5 8.0 -27.6 66 68 A D > - 0 0 1 5,-2.6 3,-2.7 -2,-0.4 197,-0.1 -0.472 26.2-113.4 -75.3 146.6 -11.8 4.3 -26.8 67 69 A S T 3 S+ 0 0 0 1,-0.3 146,-0.1 2,-0.1 -1,-0.1 0.831 119.1 37.0 -45.5 -43.6 -14.9 2.5 -28.2 68 70 A R T 3 S- 0 0 98 145,-0.1 -1,-0.3 142,-0.1 -2,-0.1 0.149 115.4-114.7 -98.9 16.5 -16.5 1.9 -24.8 69 71 A Q S < S+ 0 0 69 -3,-2.7 91,-0.2 2,-0.1 -2,-0.1 0.758 71.7 140.5 56.5 31.8 -15.3 5.4 -23.6 70 72 A R S S- 0 0 44 1,-0.2 2,-0.3 89,-0.1 -1,-0.1 0.835 73.9 -7.0 -73.4 -31.5 -13.1 3.7 -21.0 71 73 A F - 0 0 0 87,-0.2 -5,-2.6 2,-0.0 2,-0.3 -0.960 59.3-155.0-148.6 171.1 -10.4 6.3 -21.8 72 74 A S E -AB 65 157A 0 85,-1.4 85,-1.7 -2,-0.3 2,-0.4 -0.970 12.3-140.8-144.3 160.8 -9.5 9.2 -24.0 73 75 A V E -AB 64 156A 0 -9,-2.4 -10,-2.8 -2,-0.3 -9,-1.5 -0.985 23.1-178.4-127.6 127.0 -6.2 10.7 -25.1 74 76 A V E -AB 62 155A 0 81,-2.6 81,-2.5 -2,-0.4 2,-0.6 -0.942 24.3-137.5-133.3 144.3 -5.8 14.5 -25.4 75 77 A S E -AB 61 154A 0 -14,-3.2 -14,-2.4 -2,-0.4 2,-0.7 -0.911 20.1-156.7-101.6 123.4 -3.1 16.8 -26.5 76 78 A F E -AB 60 153A 9 77,-3.1 77,-2.1 -2,-0.6 2,-0.6 -0.861 8.6-167.1-110.5 110.7 -2.9 19.8 -24.2 77 79 A V E -AB 59 152A 0 -18,-2.2 -18,-2.4 -2,-0.7 2,-0.5 -0.863 2.0-168.5-106.3 123.1 -1.3 22.9 -25.8 78 80 A W E - B 0 151A 2 73,-3.3 73,-2.0 -2,-0.6 3,-0.1 -0.911 7.6-153.5-107.1 127.9 -0.2 25.9 -23.8 79 81 A G > - 0 0 3 -2,-0.5 3,-1.9 -25,-0.2 65,-0.2 -0.542 56.0 -51.5 -84.7 167.7 0.8 29.2 -25.2 80 82 A P T 3 S- 0 0 75 0, 0.0 67,-0.3 0, 0.0 -1,-0.2 -0.020 122.9 -6.6 -38.5 124.6 3.2 31.6 -23.2 81 83 A G T 3 S+ 0 0 37 65,-2.5 66,-0.1 68,-0.3 2,-0.1 0.629 86.8 156.8 61.8 20.5 1.9 32.1 -19.7 82 84 A Q < - 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