==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-APR-12 4EXA . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA PAO1; . AUTHOR T.SANDALOVA,R.SCHNELL,G SCHNEIDER . 1523 20 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63647.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1050 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 225 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.7 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 . 73 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 158 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 479 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.6 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 1 0 0 6 0 12 17 1 0 6 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 2 18 17 6 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 PARALLEL BRIDGES PER LADDER . 14 6 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 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 0 0 0 0 6 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 F 0 0 87 0, 0.0 303,-0.0 0, 0.0 299,-0.0 0.000 360.0 360.0 360.0 -12.0 2.3 41.8 -9.0 2 -1 A Q + 0 0 76 1,-0.2 2,-0.9 2,-0.1 3,-0.2 0.365 360.0 96.6 -77.4 4.6 5.7 41.5 -10.8 3 0 A S + 0 0 95 1,-0.2 -1,-0.2 2,-0.0 493,-0.1 -0.440 42.8 120.2 -81.4 53.7 6.9 38.9 -8.2 4 1 A M + 0 0 3 -2,-0.9 2,-0.3 1,-0.1 -1,-0.2 0.076 55.4 83.2 -90.9 12.0 5.8 36.4 -10.8 5 2 A I + 0 0 47 -3,-0.2 -1,-0.1 1,-0.2 -3,-0.0 -0.553 50.0 138.2-118.8 62.1 9.5 35.4 -10.6 6 3 A R + 0 0 166 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.2 0.964 54.4 65.2 -72.8 -54.8 9.3 33.1 -7.5 7 4 A D + 0 0 68 -3,-0.2 2,-0.2 237,-0.1 244,-0.1 -0.615 66.8 163.7 -78.3 120.5 11.6 30.2 -8.6 8 5 A T - 0 0 39 -2,-0.5 3,-0.3 240,-0.1 48,-0.2 -0.806 44.0-126.0-131.1 174.1 15.2 31.4 -9.0 9 6 A L S > S+ 0 0 0 46,-2.3 3,-1.7 -2,-0.2 4,-0.2 0.210 71.9 113.9-106.5 13.2 18.6 29.7 -9.2 10 7 A H T 3 S+ 0 0 98 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.835 84.0 37.7 -57.6 -38.5 20.3 31.6 -6.3 11 8 A D T 3 S+ 0 0 155 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.282 105.6 71.1 -96.5 9.7 20.7 28.5 -4.1 12 9 A L < + 0 0 48 -3,-1.7 -1,-0.2 44,-0.1 -2,-0.2 0.207 61.8 139.8-114.5 14.0 21.5 26.1 -6.9 13 10 A H - 0 0 76 -3,-0.5 11,-0.2 -4,-0.2 44,-0.0 -0.249 30.7-168.6 -61.7 148.8 25.0 27.3 -7.9 14 11 A R E -A 23 0A 64 9,-2.7 9,-3.1 217,-0.1 2,-0.1 -0.954 24.9 -99.9-141.4 149.9 27.5 24.4 -8.7 15 12 A P E -A 22 0A 92 0, 0.0 2,-1.1 0, 0.0 7,-0.2 -0.490 26.3-131.6 -72.9 145.3 31.2 24.1 -9.3 16 13 A L > - 0 0 1 5,-2.1 3,-1.7 -2,-0.1 188,-0.4 -0.762 63.2 -75.0 -94.6 85.7 32.5 23.9 -12.9 17 14 A G T 3 S- 0 0 22 -2,-1.1 3,-0.4 186,-0.5 186,-0.3 -0.335 95.6 -33.5 55.0-135.3 34.7 20.9 -12.4 18 15 A D T 3 S+ 0 0 98 184,-0.7 -1,-0.2 160,-0.3 185,-0.1 0.076 107.7 106.4-103.2 22.2 37.9 21.8 -10.5 19 16 A T S < S- 0 0 32 -3,-1.7 -1,-0.2 159,-0.2 -2,-0.1 0.674 85.7-124.8 -72.3 -19.6 38.2 25.3 -11.9 20 17 A G S S+ 0 0 78 -3,-0.4 2,-0.2 1,-0.3 -3,-0.1 0.261 70.9 127.9 88.1 -11.9 37.2 26.9 -8.7 21 18 A L - 0 0 38 -5,-0.3 -5,-2.1 104,-0.1 2,-0.5 -0.501 49.5-149.1 -76.9 144.4 34.4 28.7 -10.5 22 19 A A E -A 15 0A 54 -7,-0.2 2,-0.3 -2,-0.2 -9,-0.1 -0.976 21.0-177.2-119.7 125.1 30.8 28.5 -9.3 23 20 A V E -A 14 0A 0 -9,-3.1 -9,-2.7 -2,-0.5 4,-0.1 -0.893 30.3-112.9-128.5 146.5 28.1 28.7 -11.8 24 21 A S - 0 0 0 -2,-0.3 -11,-0.1 -11,-0.2 33,-0.1 -0.483 38.7-114.1 -65.1 146.9 24.3 28.8 -12.0 25 22 A P S S+ 0 0 0 0, 0.0 208,-2.2 0, 0.0 2,-0.4 0.572 103.6 54.8 -68.1 -8.7 22.9 25.7 -13.7 26 23 A L E S-b 233 0B 0 206,-0.2 33,-0.5 -17,-0.1 32,-0.4 -0.982 70.5-165.9-117.9 144.8 21.7 27.9 -16.6 27 24 A G E -b 234 0B 0 206,-2.2 208,-2.2 -2,-0.4 2,-0.8 -0.931 26.9-112.9-122.0 148.3 23.9 30.2 -18.5 28 25 A L E -bc 235 60B 0 31,-3.0 33,-2.3 -2,-0.3 208,-0.2 -0.750 27.4-147.3 -86.5 111.4 22.7 33.0 -20.8 29 26 A G E -b 236 0B 4 206,-2.5 208,-0.6 -2,-0.8 33,-0.1 -0.400 10.7-166.9 -70.1 158.0 23.6 32.2 -24.4 30 27 A T >> + 0 0 1 31,-0.4 3,-1.3 206,-0.1 4,-0.5 0.237 48.9 113.5-143.4 12.5 24.4 35.3 -26.4 31 28 A V H >> S+ 0 0 59 1,-0.3 3,-1.4 2,-0.2 4,-1.1 0.876 79.9 58.0 -53.8 -42.0 24.4 34.5 -30.2 32 29 A K H 34 S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.589 93.6 64.6 -76.9 -9.9 21.4 36.7 -30.8 33 30 A F H <4 S+ 0 0 2 -3,-1.3 -1,-0.3 6,-0.1 -2,-0.2 0.741 117.7 27.8 -74.2 -27.0 23.0 39.8 -29.3 34 31 A G H << S+ 0 0 6 -3,-1.4 34,-1.4 -4,-0.5 2,-0.4 0.508 109.0 71.6-116.5 -5.9 25.4 39.7 -32.2 35 32 A R < 0 0 71 -4,-1.1 -1,-0.1 32,-0.2 31,-0.0 -0.977 360.0 360.0-134.3 132.5 23.8 37.9 -35.2 36 33 A D 0 0 158 -2,-0.4 3,-0.1 -3,-0.1 -1,-0.1 0.636 360.0 360.0 113.5 360.0 21.1 38.5 -38.0 37 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 38 43 A T 0 0 153 0, 0.0 -3,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 103.4 15.6 40.3 -34.9 39 44 A I - 0 0 51 -3,-0.1 2,-0.2 1,-0.1 -6,-0.1 -0.766 360.0-103.6 -95.9 133.0 18.5 41.6 -32.7 40 45 A P - 0 0 4 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.341 29.0-119.9 -61.3 122.7 17.8 43.2 -29.3 41 46 A D >> - 0 0 100 -2,-0.2 4,-2.3 1,-0.1 3,-1.2 -0.342 34.0-104.9 -37.7 125.4 18.0 46.9 -28.8 42 47 A D H 3> S+ 0 0 105 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.798 126.8 51.4 -33.7 -37.8 20.6 48.1 -26.3 43 48 A R H 3> S+ 0 0 160 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.943 109.7 45.9 -65.6 -50.9 17.6 48.6 -24.0 44 49 A E H <> S+ 0 0 96 -3,-1.2 4,-1.4 1,-0.2 -2,-0.2 0.881 113.3 51.3 -60.4 -40.1 16.2 45.1 -24.5 45 50 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.884 108.8 49.7 -66.1 -41.7 19.6 43.6 -24.0 46 51 A A H X S+ 0 0 39 -4,-2.0 4,-2.5 -5,-0.4 -1,-0.2 0.870 110.9 50.1 -64.5 -38.3 20.2 45.5 -20.8 47 52 A D H X S+ 0 0 72 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.774 108.4 52.7 -71.7 -30.6 16.9 44.3 -19.4 48 53 A L H X S+ 0 0 4 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.849 111.9 45.1 -71.5 -40.3 17.6 40.7 -20.3 49 54 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.935 113.6 50.2 -67.0 -46.2 20.9 40.8 -18.4 50 55 A A H X S+ 0 0 44 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.928 113.2 46.4 -58.4 -43.8 19.2 42.6 -15.5 51 56 A L H X S+ 0 0 22 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.873 109.8 53.3 -66.1 -41.3 16.5 39.9 -15.5 52 57 A A H ><>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 3,-0.8 0.950 109.0 50.4 -57.2 -49.6 18.9 37.0 -15.8 53 58 A R H ><5S+ 0 0 103 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.908 109.3 49.0 -56.7 -47.7 20.8 38.4 -12.8 54 59 A D H 3<5S+ 0 0 101 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.671 106.3 58.4 -68.1 -20.1 17.7 38.7 -10.6 55 60 A L T <<5S- 0 0 2 -4,-1.1 -46,-2.3 -3,-0.8 -1,-0.3 0.378 125.4-104.1 -86.9 2.0 16.8 35.1 -11.6 56 61 A G T < 5S+ 0 0 2 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.594 72.2 144.4 88.2 12.9 20.1 34.0 -10.1 57 62 A I < + 0 0 0 -5,-2.4 -1,-0.3 -6,-0.2 -30,-0.1 -0.682 15.0 162.9 -82.9 135.7 22.1 33.5 -13.3 58 63 A N + 0 0 16 -32,-0.4 27,-3.3 -2,-0.3 2,-0.4 0.192 48.1 93.3-131.6 14.3 25.7 34.4 -13.3 59 64 A L E + d 0 85B 0 -33,-0.5 -31,-3.0 25,-0.2 2,-0.4 -0.922 47.0 179.1-113.8 130.3 27.0 32.5 -16.4 60 65 A I E -cd 28 86B 1 25,-2.4 27,-2.6 -2,-0.4 2,-0.4 -0.999 10.4-156.9-135.9 137.5 27.2 34.2 -19.8 61 66 A D E + d 0 87B 6 -33,-2.3 -31,-0.4 -2,-0.4 2,-0.2 -0.942 22.6 149.6-120.3 132.3 28.4 32.6 -23.1 62 67 A T - 0 0 0 25,-2.7 -31,-0.1 -2,-0.4 3,-0.1 -0.784 18.6-163.5-147.2-176.4 29.8 34.4 -26.1 63 68 A A > - 0 0 0 -2,-0.2 3,-1.3 25,-0.2 7,-0.6 -0.933 35.9-116.2-171.4 147.3 32.2 34.1 -29.0 64 69 A P T 3 S+ 0 0 7 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.831 115.9 60.2 -55.9 -32.3 34.1 36.1 -31.7 65 70 A A T 3 S+ 0 0 6 1,-0.2 2,-1.7 27,-0.2 28,-0.1 0.661 81.2 86.0 -71.2 -17.4 32.0 34.2 -34.3 66 71 A Y S X S- 0 0 36 -3,-1.3 3,-2.1 1,-0.2 -1,-0.2 -0.224 100.2-117.5 -83.0 52.1 28.7 35.5 -32.8 67 72 A G T 3 S- 0 0 34 -2,-1.7 3,-0.3 1,-0.2 4,-0.2 -0.355 83.1 -13.2 54.0-123.1 28.9 38.7 -34.9 68 73 A R T 3> S+ 0 0 115 -34,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.084 98.5 115.0 -97.0 15.5 29.1 41.6 -32.5 69 74 A S H <> S+ 0 0 0 -3,-2.1 4,-2.1 -6,-0.2 3,-0.2 0.961 81.0 43.9 -49.1 -61.4 28.2 39.8 -29.3 70 75 A E H > S+ 0 0 1 -7,-0.6 4,-1.4 -3,-0.3 3,-0.3 0.931 113.3 52.0 -50.0 -52.8 31.6 40.4 -27.7 71 76 A E H 4 S+ 0 0 103 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.876 113.9 42.5 -55.1 -44.0 31.8 44.0 -28.8 72 77 A R H X S+ 0 0 20 -4,-2.1 4,-1.8 -3,-0.2 -1,-0.3 0.787 106.1 62.9 -72.3 -32.0 28.3 44.8 -27.4 73 78 A L H X S+ 0 0 2 -4,-2.1 4,-2.5 -3,-0.3 -1,-0.2 0.832 90.5 66.1 -70.4 -31.5 28.8 42.9 -24.1 74 79 A G H X S+ 0 0 2 -4,-1.4 4,-0.5 44,-0.4 3,-0.3 0.966 109.9 35.6 -53.0 -59.9 31.7 45.0 -22.9 75 80 A P H >4 S+ 0 0 57 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.901 116.0 56.0 -59.9 -43.0 29.6 48.2 -22.5 76 81 A L H 3< S+ 0 0 28 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.2 0.811 109.5 46.2 -63.2 -29.6 26.6 46.3 -21.4 77 82 A L H >X S+ 0 0 3 -4,-2.5 3,-2.4 -3,-0.3 4,-1.0 0.461 80.3 129.3 -93.4 -3.1 28.5 44.6 -18.5 78 83 A R T << S+ 0 0 163 -3,-1.2 42,-0.0 -4,-0.5 -4,-0.0 -0.337 79.1 16.1 -50.6 126.8 30.1 47.9 -17.3 79 84 A G T 34 S+ 0 0 93 1,-0.0 -1,-0.3 -2,-0.0 -2,-0.1 0.246 129.6 52.4 89.5 -12.0 29.5 48.2 -13.6 80 85 A Q T X> + 0 0 36 -3,-2.4 3,-1.8 2,-0.1 4,-0.6 0.277 64.3 116.5-134.1 10.6 28.5 44.6 -13.1 81 86 A R G >< S+ 0 0 24 -4,-1.0 3,-1.5 1,-0.3 -3,-0.1 0.853 72.6 63.1 -48.6 -40.7 31.4 42.6 -14.7 82 87 A E G 34 S+ 0 0 148 1,-0.3 -1,-0.3 -5,-0.1 -2,-0.1 0.766 94.6 59.8 -59.7 -30.2 32.3 41.0 -11.4 83 88 A H G <4 S+ 0 0 53 -3,-1.8 2,-0.4 2,-0.0 -1,-0.3 0.783 95.7 82.1 -65.1 -27.3 29.0 39.2 -11.1 84 89 A W << - 0 0 3 -3,-1.5 2,-0.8 -4,-0.6 -25,-0.2 -0.664 61.8-153.5-101.3 133.1 29.5 37.3 -14.3 85 90 A V E -d 59 0B 13 -27,-3.3 -25,-2.4 -2,-0.4 2,-0.4 -0.896 32.5-154.3 -87.8 107.9 31.4 34.2 -15.2 86 91 A I E -d 60 0B 2 -2,-0.8 40,-1.9 -27,-0.2 2,-0.5 -0.737 13.2-167.8 -93.0 132.2 32.2 34.8 -18.9 87 92 A V E +de 61 126B 0 -27,-2.6 -25,-2.7 -2,-0.4 2,-0.2 -0.983 17.3 161.7-114.5 128.6 32.8 32.1 -21.4 88 93 A S E - e 0 127B 1 38,-2.4 40,-2.7 -2,-0.5 2,-0.3 -0.777 21.5-133.0-135.2-173.8 34.2 32.9 -24.8 89 94 A K E - e 0 128B 1 38,-0.3 2,-0.4 -2,-0.2 40,-0.2 -0.881 4.4-148.8-141.8 163.9 35.9 31.1 -27.6 90 95 A V E + e 0 129B 0 38,-1.7 40,-3.0 -2,-0.3 18,-0.1 -1.000 65.7 40.6-136.2 141.5 38.8 31.0 -30.1 91 96 A G S S+ 0 0 0 -2,-0.4 11,-2.4 1,-0.3 2,-0.4 0.003 83.4 86.1 125.6 -29.8 39.3 29.7 -33.6 92 97 A E B +J 101 0C 31 9,-0.2 -1,-0.3 1,-0.1 9,-0.2 -0.900 43.9 169.7-105.3 137.6 36.1 30.4 -35.6 93 98 A E - 0 0 24 7,-2.5 8,-0.1 -2,-0.4 -1,-0.1 0.692 25.6-145.9-126.5 -26.9 36.0 33.8 -37.2 94 99 A F - 0 0 64 6,-0.4 2,-0.8 1,-0.2 5,-0.2 0.966 21.0-179.7 51.7 71.6 33.1 34.3 -39.8 95 100 A V - 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