==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROPEROXIDE REDUCTASE 02-SEP-03 1QWI . COMPND 2 MOLECULE: OSMOTICALLY INDUCIBLE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.LESNIAK,W.A.BARTON,D.B.NIKOLOV . 568 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23471.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 431 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 148 26.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 4 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 . 39 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 8 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 4 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 0 4 0 0 4 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 4 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 T 0 0 111 0, 0.0 2,-0.3 0, 0.0 228,-0.2 0.000 360.0 360.0 360.0 133.6 -3.0 -2.0 35.7 2 3 A I E -A 228 0A 37 226,-2.0 226,-2.8 179,-0.0 2,-0.4 -0.684 360.0-163.3 -84.5 135.8 -0.6 -2.5 38.5 3 4 A H E +A 227 0A 86 -2,-0.3 2,-0.4 224,-0.2 224,-0.2 -0.988 9.9 178.2-126.3 123.5 0.1 0.6 40.7 4 5 A K E -A 226 0A 14 222,-2.1 222,-3.3 -2,-0.4 2,-0.4 -0.959 15.1-147.0-124.3 143.1 3.1 0.9 43.0 5 6 A K E +A 225 0A 95 -2,-0.4 19,-2.3 220,-0.2 20,-0.3 -0.883 18.7 173.4-121.9 145.8 3.9 4.0 45.1 6 7 A G E -AB 224 23A 1 218,-1.8 218,-3.1 -2,-0.4 2,-0.3 -0.883 13.2-169.1-134.0 162.2 6.9 5.8 46.4 7 8 A Q E -AB 223 22A 96 15,-2.5 15,-2.4 -2,-0.3 2,-0.3 -0.962 9.0-165.7-151.5 167.5 7.3 9.1 48.2 8 9 A A E -AB 222 21A 3 214,-2.1 214,-2.4 -2,-0.3 2,-0.4 -0.985 6.8-153.3-154.2 156.6 9.7 11.8 49.4 9 10 A H E -AB 221 20A 40 11,-2.4 11,-2.1 -2,-0.3 2,-0.3 -0.980 12.3-178.8-133.2 142.7 9.8 14.8 51.7 10 11 A W E -AB 220 19A 0 210,-2.2 210,-2.9 -2,-0.4 2,-0.3 -0.997 3.1-172.0-144.3 142.3 12.0 17.8 51.6 11 12 A E E - B 0 18A 70 7,-2.5 7,-1.6 -2,-0.3 208,-0.2 -0.982 51.0 -4.9-135.8 146.3 12.3 20.9 53.8 12 13 A S S S- 0 0 50 205,-1.5 5,-0.1 206,-0.4 208,-0.0 -0.066 99.1 -36.9 67.9-169.7 14.2 24.2 53.5 13 14 A D - 0 0 74 203,-0.1 4,-0.2 4,-0.1 -2,-0.2 0.138 64.6 -95.1 -73.2-166.8 16.7 25.0 50.7 14 15 A I S S+ 0 0 36 193,-0.2 21,-0.5 2,-0.1 194,-0.1 0.835 117.2 37.6 -83.2 -36.3 19.1 22.6 49.0 15 16 A K S S+ 0 0 64 1,-0.1 21,-0.1 20,-0.1 -1,-0.1 0.927 133.2 23.5 -82.2 -49.0 22.3 23.3 51.0 16 17 A R S S+ 0 0 64 2,-0.0 -2,-0.1 0, 0.0 -1,-0.1 0.535 112.1 86.7 -94.2 -7.6 20.8 23.7 54.5 17 18 A G - 0 0 11 -4,-0.2 2,-0.3 -5,-0.1 18,-0.3 -0.300 57.9-164.2 -86.5 174.3 17.7 21.7 53.7 18 19 A K E -B 11 0A 111 -7,-1.6 -7,-2.5 16,-0.1 2,-0.3 -0.959 3.3-164.0-152.7 166.7 17.1 18.0 54.0 19 20 A G E -BC 10 33A 2 14,-1.7 14,-1.9 -2,-0.3 2,-0.3 -0.884 9.2-143.7-147.8 178.3 14.8 15.2 52.9 20 21 A T E -BC 9 32A 18 -11,-2.1 -11,-2.4 -2,-0.3 2,-0.3 -0.949 10.7-149.4-142.7 160.4 13.6 11.7 53.3 21 22 A V E +BC 8 31A 1 10,-1.8 10,-2.5 -2,-0.3 2,-0.3 -0.989 17.0 172.5-137.1 144.3 12.4 8.9 51.0 22 23 A S E -B 7 0A 4 -15,-2.4 -15,-2.5 -2,-0.3 2,-0.3 -0.924 18.6-145.6-144.3 166.3 9.9 6.1 51.5 23 24 A T E > -B 6 0A 10 5,-2.4 3,-0.7 -2,-0.3 -17,-0.2 -0.921 30.0-116.5-131.6 159.2 8.1 3.3 49.7 24 25 A E T 3 S+ 0 0 90 -19,-2.3 -18,-0.1 -2,-0.3 -1,-0.1 0.836 113.4 60.1 -67.2 -29.5 4.6 2.0 50.3 25 26 A S T 3 S- 0 0 17 -20,-0.3 -1,-0.2 162,-0.1 163,-0.1 0.767 108.4-124.5 -67.9 -25.7 6.0 -1.5 51.1 26 27 A G S < S+ 0 0 42 -3,-0.7 -2,-0.1 2,-0.4 -1,-0.1 0.240 78.9 120.8 100.1 -12.7 8.0 0.1 54.0 27 28 A V S S+ 0 0 26 1,-0.2 2,-0.5 -5,-0.0 -3,-0.1 0.815 86.9 36.8 -53.1 -29.7 11.4 -1.2 52.9 28 29 A L S S+ 0 0 2 -5,-0.1 -5,-2.4 143,-0.0 2,-0.4 -0.996 76.5 173.5-122.4 122.7 12.2 2.5 52.9 29 30 A N S S- 0 0 110 -2,-0.5 -7,-0.2 -7,-0.2 -5,-0.0 -0.849 72.0 -37.3-138.4 101.4 10.6 4.5 55.6 30 31 A Q S S+ 0 0 126 -2,-0.4 -8,-0.2 1,-0.2 -22,-0.0 0.855 81.1 178.9 51.5 42.1 11.6 8.2 55.9 31 32 A Q E -C 21 0A 67 -10,-2.5 -10,-1.8 1,-0.1 -1,-0.2 -0.602 30.5-111.0 -75.5 127.2 15.2 7.3 55.0 32 33 A P E +C 20 0A 80 0, 0.0 13,-0.7 0, 0.0 2,-0.3 -0.202 44.2 162.6 -59.4 144.6 17.4 10.5 55.0 33 34 A Y E +C 19 0A 5 -14,-1.9 -14,-1.7 11,-0.1 2,-0.3 -0.966 5.2 140.6-158.9 151.6 18.8 11.8 51.7 34 35 A G > - 0 0 2 11,-0.4 4,-2.0 -2,-0.3 5,-0.3 -0.950 65.1 -60.2-170.5-169.0 20.3 15.2 50.6 35 36 A F H >>S+ 0 0 82 -21,-0.5 4,-3.1 -18,-0.3 5,-1.1 0.903 126.3 57.4 -57.4 -42.6 22.9 17.1 48.6 36 37 A N H >5S+ 0 0 53 1,-0.2 6,-2.3 3,-0.2 4,-0.9 0.916 111.6 37.3 -54.1 -54.4 25.6 15.3 50.7 37 38 A T H 45S+ 0 0 6 4,-0.2 -1,-0.2 3,-0.2 -2,-0.2 0.770 124.3 40.8 -74.7 -27.2 24.6 11.7 49.9 38 39 A R H <5S+ 0 0 6 -4,-2.0 -2,-0.2 5,-0.1 -3,-0.2 0.915 133.2 12.9 -88.0 -44.2 23.7 12.4 46.3 39 40 A F H <5S+ 0 0 32 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.1 0.671 125.4 49.7-107.3 -22.3 26.4 14.8 45.1 40 41 A E S < - 0 0 3 -13,-0.1 4,-1.6 1,-0.1 5,-0.2 -0.962 51.6 -90.8-171.3 165.6 19.8 8.6 46.8 47 48 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.891 118.8 57.3 -57.9 -39.8 17.7 8.3 43.5 48 49 A E H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.913 106.7 45.0 -61.2 -46.2 20.6 6.7 41.6 49 50 A E H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.856 112.0 53.9 -70.3 -28.9 21.0 3.7 43.9 50 51 A L H X S+ 0 0 1 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.910 110.1 46.1 -68.7 -41.6 17.3 3.1 44.1 51 52 A I H X S+ 0 0 3 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.911 112.7 52.4 -65.4 -40.2 17.0 3.1 40.3 52 53 A G H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.936 109.7 46.9 -59.9 -48.1 20.0 0.7 40.2 53 54 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.926 113.7 49.5 -60.0 -43.7 18.4 -1.7 42.7 54 55 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.917 113.5 45.6 -60.5 -45.0 15.2 -1.6 40.7 55 56 A H H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.927 112.2 50.1 -65.4 -47.8 17.0 -2.3 37.4 56 57 A A H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 5,-0.2 0.918 114.2 46.5 -58.1 -43.6 19.1 -5.1 38.9 57 58 A A H X S+ 0 0 1 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.931 114.8 45.1 -66.1 -45.2 16.0 -6.7 40.3 58 59 A C H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.957 114.9 48.3 -62.9 -50.2 13.9 -6.3 37.1 59 60 A F H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.884 111.4 49.2 -57.7 -43.2 16.8 -7.6 34.9 60 61 A S H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.917 113.3 46.4 -67.7 -40.1 17.5 -10.6 37.1 61 62 A X H X S+ 0 0 6 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.937 112.6 50.7 -64.4 -46.4 13.9 -11.7 37.2 62 63 A A H X S+ 0 0 16 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.863 108.3 52.3 -59.3 -39.3 13.5 -11.2 33.5 63 64 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.928 108.8 50.0 -65.2 -42.8 16.6 -13.3 32.8 64 65 A S H X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.936 110.8 50.2 -59.0 -47.3 15.2 -16.1 34.9 65 66 A L H X S+ 0 0 76 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.934 112.0 45.7 -56.8 -51.6 11.9 -16.0 33.1 66 67 A X H X S+ 0 0 57 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.877 110.7 53.0 -63.1 -38.4 13.5 -16.1 29.6 67 68 A L H <>S+ 0 0 0 -4,-2.4 5,-3.1 1,-0.2 3,-0.5 0.923 110.1 50.1 -61.9 -41.5 15.8 -18.9 30.6 68 69 A G H ><5S+ 0 0 35 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.910 105.3 54.7 -61.8 -43.9 12.7 -20.8 31.7 69 70 A E H 3<5S+ 0 0 148 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.766 108.3 51.1 -61.5 -23.4 10.9 -20.1 28.5 70 71 A A T 3<5S- 0 0 51 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.461 127.8-102.2 -90.5 -4.0 14.0 -21.7 26.8 71 72 A G T < 5S+ 0 0 66 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.727 82.8 125.2 89.1 25.5 13.7 -24.7 29.1 72 73 A F < - 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