==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-JUL-07 2QSI . COMPND 2 MOLECULE: PUTATIVE HYDROGENASE EXPRESSION/FORMATION PROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; . AUTHOR B.NOCEK,T.SKARINA,O.KAGAN,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK . 224 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11529.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 12.5 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 . 0 0.0 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 . 18 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 0 2 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 2 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 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 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 15 A P 0 0 138 0, 0.0 54,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 72.9 -21.8 -1.0 -26.5 2 16 A T E -a 55 0A 73 52,-1.0 54,-3.4 0, 0.0 2,-0.5 -0.601 360.0-117.9 -97.7 175.6 -19.9 -4.0 -25.1 3 17 A L E -a 56 0A 107 -2,-0.2 2,-0.3 52,-0.2 54,-0.2 -0.985 36.7-173.0-112.5 124.8 -21.5 -7.0 -23.7 4 18 A V E -a 57 0A 5 52,-3.2 54,-3.6 -2,-0.5 2,-0.2 -0.893 10.0-173.3-119.1 154.4 -20.7 -7.6 -20.0 5 19 A D > - 0 0 60 -2,-0.3 4,-2.5 52,-0.2 3,-0.5 -0.687 50.0 -83.1-128.3-177.0 -21.3 -10.3 -17.5 6 20 A E T 4 S+ 0 0 107 1,-0.2 4,-0.4 -2,-0.2 51,-0.0 0.786 129.0 51.5 -62.1 -24.0 -20.8 -10.8 -13.7 7 21 A A T 4 S+ 0 0 85 1,-0.1 -1,-0.2 2,-0.1 4,-0.2 0.806 121.7 27.6 -80.0 -31.4 -17.1 -11.7 -14.5 8 22 A T T > S+ 0 0 67 -3,-0.5 4,-1.5 2,-0.1 -2,-0.2 0.563 99.2 80.5-110.8 -12.8 -16.3 -8.7 -16.6 9 23 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.893 84.4 61.2 -66.5 -40.0 -18.6 -5.8 -15.4 10 24 A D H > S+ 0 0 73 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.938 111.1 38.1 -54.1 -54.6 -16.6 -4.8 -12.3 11 25 A D H > S+ 0 0 111 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.866 112.0 60.2 -67.2 -34.4 -13.5 -3.8 -14.2 12 26 A F H < S+ 0 0 47 -4,-1.5 4,-0.2 1,-0.2 -1,-0.2 0.942 114.6 34.9 -54.7 -48.6 -15.6 -2.3 -17.1 13 27 A I H >< S+ 0 0 0 -4,-2.5 3,-1.4 2,-0.2 4,-0.4 0.947 114.2 54.7 -71.8 -50.1 -17.2 0.2 -14.7 14 28 A A H 3< S+ 0 0 26 -4,-2.6 3,-0.3 -5,-0.3 -2,-0.2 0.863 117.8 34.3 -62.8 -35.7 -14.3 0.9 -12.4 15 29 A H T 3< S+ 0 0 144 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.165 88.0 96.7-107.9 20.5 -11.9 1.9 -15.3 16 30 A S S < S- 0 0 33 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.1 0.799 70.6-149.0 -70.3 -33.3 -14.3 3.6 -17.8 17 31 A G S S+ 0 0 77 -4,-0.4 2,-0.3 -3,-0.3 -3,-0.1 0.658 71.8 78.1 64.3 18.0 -13.5 7.1 -16.5 18 32 A K S S- 0 0 86 -5,-0.3 2,-0.3 35,-0.0 -1,-0.3 -0.909 97.3 -85.3-144.4 165.4 -17.1 7.9 -17.5 19 33 A I E -b 52 0A 13 32,-2.5 34,-1.7 -2,-0.3 2,-0.4 -0.636 51.1-132.7 -74.8 134.2 -20.6 7.4 -16.2 20 34 A V E -bC 53 80A 0 60,-2.6 60,-3.1 -2,-0.3 2,-0.6 -0.781 13.6-157.3 -97.3 133.7 -21.7 3.9 -17.3 21 35 A V E -bC 54 79A 0 32,-3.1 34,-2.2 -2,-0.4 2,-0.6 -0.935 12.9-160.6-107.2 111.1 -25.1 3.1 -18.8 22 36 A L E -bC 55 78A 0 56,-3.2 56,-3.0 -2,-0.6 2,-0.6 -0.858 6.9-148.6 -96.2 126.1 -25.9 -0.6 -18.3 23 37 A F E -bC 56 77A 2 32,-2.7 34,-2.8 -2,-0.6 2,-0.7 -0.874 8.3-165.5 -99.7 113.4 -28.6 -1.9 -20.6 24 38 A F E + C 0 76A 0 52,-2.8 52,-1.9 -2,-0.6 34,-0.1 -0.907 17.8 169.3 -97.1 111.3 -30.8 -4.7 -19.4 25 39 A R - 0 0 72 -2,-0.7 -1,-0.2 32,-0.4 2,-0.1 0.951 15.9-161.7 -89.6 -72.6 -32.5 -6.1 -22.4 26 40 A G - 0 0 9 48,-0.1 33,-0.1 49,-0.1 8,-0.0 -0.241 39.0 -33.1 101.9 164.5 -34.4 -9.3 -21.8 27 41 A D > - 0 0 85 1,-0.1 4,-2.9 -2,-0.1 7,-0.2 -0.250 51.8-130.3 -57.2 140.5 -35.8 -12.2 -23.8 28 42 A A T 4 S+ 0 0 73 2,-0.2 -1,-0.1 1,-0.2 7,-0.1 0.727 105.6 49.3 -66.7 -28.8 -37.0 -11.2 -27.4 29 43 A V T 4 S+ 0 0 129 2,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.909 120.5 34.2 -79.4 -44.6 -40.4 -13.0 -26.9 30 44 A R T 4 S+ 0 0 182 1,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.851 136.5 22.9 -75.5 -36.5 -41.2 -11.5 -23.5 31 45 A F >< + 0 0 25 -4,-2.9 3,-2.0 1,-0.1 4,-0.4 -0.473 66.0 152.5-131.7 59.6 -39.6 -8.0 -24.2 32 46 A P T > S+ 0 0 77 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.867 72.6 65.3 -63.0 -29.4 -39.4 -7.5 -28.0 33 47 A E T >> S+ 0 0 56 1,-0.3 3,-1.2 2,-0.2 4,-1.0 0.629 80.0 81.9 -67.4 -14.7 -39.5 -3.7 -27.5 34 48 A A H <> S+ 0 0 0 -3,-2.0 4,-2.2 1,-0.3 -1,-0.3 0.826 81.9 64.3 -58.7 -31.6 -36.1 -3.9 -25.7 35 49 A A H <> S+ 0 0 45 -3,-1.6 4,-1.7 -4,-0.4 -1,-0.3 0.823 95.9 57.4 -60.5 -31.3 -34.6 -3.9 -29.2 36 50 A D H <> S+ 0 0 95 -3,-1.2 4,-1.6 -4,-0.3 -1,-0.2 0.889 107.1 47.1 -66.1 -37.4 -36.0 -0.4 -29.7 37 51 A L H X S+ 0 0 0 -4,-1.0 4,-1.7 -3,-0.2 -2,-0.2 0.873 108.6 56.8 -69.3 -39.2 -34.0 0.7 -26.6 38 52 A A H < S+ 0 0 22 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.866 105.7 49.5 -57.1 -42.0 -31.0 -1.0 -28.0 39 53 A V H < S+ 0 0 101 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.892 116.0 42.7 -69.8 -37.1 -31.2 1.0 -31.3 40 54 A V H X S+ 0 0 44 -4,-1.6 4,-2.4 1,-0.2 3,-0.4 0.722 93.3 82.8 -81.1 -16.1 -31.5 4.3 -29.4 41 55 A L H X S+ 0 0 11 -4,-1.7 4,-2.5 1,-0.3 5,-0.2 0.904 90.8 48.0 -60.6 -47.1 -28.8 3.6 -26.7 42 56 A P H > S+ 0 0 74 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.864 111.3 52.7 -63.6 -28.0 -25.8 4.6 -28.9 43 57 A E H > S+ 0 0 117 -4,-0.4 4,-0.9 -3,-0.4 -2,-0.2 0.899 109.2 50.1 -70.5 -38.1 -27.7 7.8 -29.8 44 58 A L H >< S+ 0 0 0 -4,-2.4 3,-0.6 2,-0.2 4,-0.2 0.916 109.9 48.9 -64.0 -46.1 -28.2 8.5 -26.1 45 59 A I H >< S+ 0 0 32 -4,-2.5 3,-1.4 1,-0.2 7,-0.3 0.918 110.8 52.1 -56.9 -44.2 -24.6 8.0 -25.3 46 60 A N H 3< S+ 0 0 118 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.727 95.3 70.5 -66.9 -21.4 -23.6 10.3 -28.2 47 61 A A T << S+ 0 0 41 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.506 99.6 47.7 -81.3 -3.7 -25.9 13.0 -26.9 48 62 A F S X> S- 0 0 35 -3,-1.4 3,-2.6 -4,-0.2 4,-0.6 -0.559 93.0-143.7-132.3 69.8 -23.6 13.8 -24.0 49 63 A P T 34 S- 0 0 115 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.043 76.5 -4.2 -52.4 116.1 -20.2 13.9 -25.5 50 64 A G T 34 S+ 0 0 54 2,-0.3 -4,-0.1 -5,-0.2 -5,-0.0 0.309 113.1 89.0 98.0 -7.2 -17.5 12.5 -23.3 51 65 A R T <4 S+ 0 0 79 -3,-2.6 -32,-2.5 -6,-0.3 2,-0.3 0.762 81.5 42.0 -96.8 -25.3 -19.8 11.7 -20.3 52 66 A L E < - b 0 19A 5 -4,-0.6 2,-0.3 -7,-0.3 -2,-0.3 -0.846 46.0-173.0-133.4 155.8 -21.1 8.2 -20.9 53 67 A V E - b 0 20A 37 -34,-1.7 -32,-3.1 -2,-0.3 2,-0.3 -0.978 21.1-141.9-145.4 144.8 -20.2 4.7 -22.0 54 68 A A E + b 0 21A 5 -2,-0.3 -52,-1.0 -34,-0.2 2,-0.3 -0.832 18.3 174.6-114.0 150.8 -22.6 1.8 -22.6 55 69 A A E -ab 2 22A 0 -34,-2.2 -32,-2.7 -2,-0.3 2,-0.3 -0.969 24.4-133.6-146.7 142.7 -22.6 -1.9 -22.0 56 70 A E E -ab 3 23A 51 -54,-3.4 -52,-3.2 -2,-0.3 2,-0.5 -0.743 27.3-121.0 -91.7 138.7 -25.3 -4.5 -22.4 57 71 A V E -a 4 0A 2 -34,-2.8 -32,-0.4 -2,-0.3 -52,-0.2 -0.708 27.1-116.4 -82.6 124.7 -25.8 -7.0 -19.6 58 72 A A >> - 0 0 12 -54,-3.6 3,-1.0 -2,-0.5 4,-0.7 -0.250 27.2-115.7 -55.6 144.3 -25.3 -10.7 -20.6 59 73 A A G >4 S+ 0 0 63 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.904 115.2 49.7 -57.0 -42.8 -28.6 -12.7 -20.2 60 74 A E G 34 S+ 0 0 160 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.753 109.2 55.0 -69.8 -20.7 -27.2 -15.0 -17.5 61 75 A A G <> S+ 0 0 1 -3,-1.0 4,-2.6 -57,-0.2 5,-0.3 0.544 83.5 91.1 -85.1 -12.2 -25.9 -11.9 -15.6 62 76 A E H S+ 0 0 202 -4,-0.4 4,-1.8 -3,-0.2 -1,-0.2 0.943 117.2 40.5 -60.0 -50.4 -30.6 -11.5 -12.1 64 78 A G H > S+ 0 0 27 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.864 118.0 46.3 -67.1 -37.3 -27.5 -10.7 -10.1 65 79 A L H X S+ 0 0 4 -4,-2.6 4,-2.8 2,-0.2 6,-0.2 0.848 108.8 54.5 -78.4 -29.8 -26.8 -7.4 -11.7 66 80 A X H X>S+ 0 0 36 -4,-2.6 5,-2.7 -5,-0.3 4,-1.1 0.931 112.2 46.2 -63.9 -44.0 -30.4 -6.2 -11.5 67 81 A A H <5S+ 0 0 81 -4,-1.8 3,-0.3 -5,-0.3 -2,-0.2 0.922 115.2 46.3 -61.2 -47.8 -30.1 -7.0 -7.7 68 82 A R H <5S+ 0 0 94 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.906 119.7 37.1 -64.5 -43.6 -26.8 -5.2 -7.4 69 83 A F H <5S- 0 0 9 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.488 112.2-108.6 -95.3 -3.1 -27.7 -2.1 -9.3 70 84 A G T <5 + 0 0 58 -4,-1.1 2,-0.5 -3,-0.3 -3,-0.2 0.853 60.2 155.8 82.2 34.9 -31.3 -1.7 -8.1 71 85 A V < - 0 0 11 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.876 20.7-175.8 -98.7 126.5 -33.1 -2.6 -11.4 72 86 A A + 0 0 89 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.849 61.9 8.0 -88.8 -41.9 -36.7 -3.8 -10.9 73 87 A V S S- 0 0 56 2,-0.1 131,-0.2 -7,-0.1 -1,-0.2 -0.867 80.3 -76.5-140.8 165.2 -37.7 -4.8 -14.4 74 88 A C S S+ 0 0 11 -2,-0.3 -49,-0.1 129,-0.1 2,-0.1 -0.850 96.3 39.0-115.8 154.1 -36.5 -5.2 -18.0 75 89 A P S S+ 0 0 0 0, 0.0 129,-3.9 0, 0.0 2,-0.3 0.737 85.4 139.6 -73.0 153.0 -35.9 -3.6 -20.3 76 90 A S E -CD 24 203A 0 -52,-1.9 -52,-2.8 127,-0.3 2,-0.5 -0.977 46.9-133.8-148.2 156.5 -34.1 -0.8 -18.2 77 91 A L E -CD 23 202A 0 125,-1.8 125,-2.9 -2,-0.3 2,-0.6 -0.983 18.7-161.0-105.0 128.0 -31.1 1.5 -18.3 78 92 A A E -CD 22 201A 0 -56,-3.0 -56,-3.2 -2,-0.5 2,-0.6 -0.956 7.5-152.4-106.2 121.7 -29.1 1.6 -15.0 79 93 A V E -CD 21 200A 2 121,-2.8 120,-3.1 -2,-0.6 121,-1.2 -0.860 20.3-173.9 -97.4 118.7 -26.9 4.7 -14.9 80 94 A V E -CD 20 198A 0 -60,-3.1 -60,-2.6 -2,-0.6 118,-0.2 -0.951 21.2-147.5-125.6 128.9 -23.9 4.0 -12.6 81 95 A Q E - 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