==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-FEB-10 3LYU . COMPND 2 MOLECULE: PUTATIVE HYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR F.FOROUHAR,M.ABASHIDZE,J.SEETHARAMAN,S.SAHDEV,R.XIAO, . 783 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31730.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 595 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 150 19.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 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 . 69 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 264 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 6 0 0 0 0 0 0 1 0 11 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 1 0 6 0 12 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 . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 88 A G 0 0 78 0, 0.0 2,-0.2 0, 0.0 244,-0.1 0.000 360.0 360.0 360.0-173.5 62.5 -8.3 11.7 2 89 A P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 246,-0.1 -0.435 360.0-177.0 -69.2 135.6 63.5 -9.2 8.0 3 90 A L - 0 0 71 -2,-0.2 239,-0.0 1,-0.1 241,-0.0 -0.752 33.4 -75.3-126.3 172.4 61.8 -12.2 6.5 4 91 A G S S- 0 0 10 -2,-0.2 -1,-0.1 1,-0.2 663,-0.1 -0.233 70.8 -72.6 -64.2 158.1 62.0 -14.1 3.2 5 92 A T - 0 0 59 1,-0.1 661,-0.4 660,-0.1 2,-0.3 -0.346 54.6-121.4 -54.7 117.1 60.4 -12.6 0.1 6 93 A P + 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.485 42.3 178.0 -65.7 123.6 56.6 -12.9 0.7 7 94 A V B -A 664 0A 1 657,-3.2 657,-2.6 -2,-0.3 2,-0.3 -0.938 30.0-108.8-131.4 150.0 55.2 -15.0 -2.2 8 95 A P - 0 0 5 0, 0.0 2,-1.1 0, 0.0 654,-0.1 -0.603 22.5-137.3 -80.4 137.0 51.8 -16.3 -3.1 9 96 A X + 0 0 3 653,-0.5 2,-0.2 -2,-0.3 653,-0.1 -0.642 53.6 124.4 -95.5 79.9 51.2 -20.1 -2.9 10 97 A E - 0 0 24 -2,-1.1 2,-1.0 651,-0.1 3,-0.2 -0.777 68.2 -98.7-129.6 173.5 49.2 -21.0 -6.1 11 98 A K + 0 0 154 -2,-0.2 3,-0.1 1,-0.2 28,-0.1 -0.838 43.9 160.8 -95.2 103.2 49.4 -23.3 -9.0 12 99 A F - 0 0 42 -2,-1.0 2,-0.6 1,-0.3 -1,-0.2 0.646 47.8-129.0 -93.4 -18.4 50.9 -21.1 -11.8 13 100 A G S S+ 0 0 27 -3,-0.2 27,-3.0 90,-0.1 2,-0.6 -0.937 75.6 21.3 112.3-113.8 51.9 -24.2 -13.7 14 101 A K E S-b 40 0B 43 -2,-0.6 89,-2.5 25,-0.2 90,-1.5 -0.839 74.2-168.9 -97.6 118.3 55.5 -24.3 -14.9 15 102 A I E -bc 41 104B 0 25,-1.2 27,-2.9 -2,-0.6 2,-0.8 -0.888 19.6-155.1-114.7 136.7 57.8 -22.0 -12.9 16 103 A L E -bc 42 105B 1 88,-2.3 90,-2.5 -2,-0.4 2,-0.7 -0.893 17.1-168.9-106.9 101.1 61.3 -20.9 -13.5 17 104 A A E -bc 43 106B 0 25,-1.3 27,-2.3 -2,-0.8 2,-0.4 -0.840 8.1-164.9 -96.3 113.3 62.8 -20.0 -10.1 18 105 A I E -bc 44 107B 0 88,-3.4 90,-1.7 -2,-0.7 2,-0.4 -0.808 12.2-175.7-104.2 139.0 66.1 -18.2 -10.6 19 106 A G E -bc 45 108B 0 25,-2.9 27,-1.4 -2,-0.4 2,-0.4 -0.967 9.0-159.1-135.3 116.6 68.7 -17.6 -7.9 20 107 A A E > -b 46 0B 1 88,-2.1 3,-2.5 -2,-0.4 27,-0.2 -0.816 61.9 -35.7 -97.8 135.1 71.9 -15.6 -8.7 21 108 A Y T > S- 0 0 5 25,-2.5 3,-1.1 -2,-0.4 4,-0.1 -0.321 134.1 -10.9 56.3-130.4 74.9 -16.0 -6.4 22 109 A T T >> S+ 0 0 15 1,-0.2 3,-1.5 2,-0.1 4,-0.6 0.476 116.1 93.8 -77.5 -1.2 73.8 -16.5 -2.8 23 110 A G H <> S+ 0 0 10 -3,-2.5 4,-1.5 1,-0.3 3,-0.5 0.729 70.1 72.8 -62.1 -20.2 70.3 -15.6 -3.9 24 111 A I H <> S+ 0 0 0 -3,-1.1 4,-2.1 1,-0.2 -1,-0.3 0.784 83.5 66.5 -65.2 -28.6 69.7 -19.3 -4.4 25 112 A V H <4 S+ 0 0 56 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.918 106.8 41.2 -58.3 -43.0 69.5 -19.9 -0.6 26 113 A E H X S+ 0 0 26 -4,-0.6 4,-0.8 -3,-0.5 -2,-0.2 0.879 112.5 51.8 -74.5 -40.5 66.3 -17.8 -0.4 27 114 A V H X S+ 0 0 0 -4,-1.5 4,-3.1 1,-0.2 5,-0.4 0.819 95.9 76.3 -68.8 -25.2 64.7 -19.2 -3.5 28 115 A Y H X S+ 0 0 46 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.949 97.1 39.4 -49.5 -67.3 65.3 -22.7 -2.2 29 116 A P H > S+ 0 0 32 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.789 118.0 52.9 -56.0 -25.0 62.5 -22.8 0.4 30 117 A I H X S+ 0 0 4 -4,-0.8 4,-1.7 -3,-0.2 -2,-0.2 0.935 110.9 42.9 -74.5 -47.4 60.2 -21.0 -2.1 31 118 A A H X S+ 0 0 0 -4,-3.1 4,-1.7 2,-0.2 10,-0.2 0.806 111.0 57.4 -68.1 -32.0 60.7 -23.3 -5.0 32 119 A K H X S+ 0 0 57 -4,-2.3 4,-1.8 -5,-0.4 -1,-0.2 0.934 109.3 44.3 -64.5 -46.7 60.4 -26.3 -2.7 33 120 A A H X S+ 0 0 0 -4,-1.4 4,-1.4 -5,-0.2 -2,-0.2 0.812 110.4 55.0 -68.9 -33.5 57.0 -25.2 -1.5 34 121 A W H <>S+ 0 0 0 -4,-1.7 5,-2.1 2,-0.2 4,-0.3 0.862 107.2 50.3 -68.6 -35.4 55.8 -24.3 -5.1 35 122 A Q H ><5S+ 0 0 49 -4,-1.7 3,-1.7 1,-0.2 -2,-0.2 0.947 110.2 49.4 -65.7 -48.4 56.6 -27.8 -6.3 36 123 A E H 3<5S+ 0 0 81 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.808 105.4 59.0 -59.9 -32.5 54.7 -29.4 -3.4 37 124 A I T 3<5S- 0 0 4 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.542 132.1 -88.8 -75.9 -7.6 51.7 -27.2 -4.2 38 125 A G T < 5S+ 0 0 44 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.652 82.8 134.6 108.1 19.4 51.5 -28.6 -7.7 39 126 A N < - 0 0 3 -5,-2.1 2,-1.4 -4,-0.1 -1,-0.3 -0.803 55.3-133.3-102.3 142.4 53.9 -26.4 -9.7 40 127 A D E +b 14 0B 59 -27,-3.0 -25,-1.2 -2,-0.4 2,-0.4 -0.686 39.9 178.4 -92.1 80.7 56.4 -27.7 -12.2 41 128 A V E -b 15 0B 0 -2,-1.4 22,-1.5 -27,-0.2 23,-1.0 -0.711 17.4-172.7 -92.6 133.8 59.3 -25.6 -10.9 42 129 A T E -bd 16 64B 1 -27,-2.9 -25,-1.3 -2,-0.4 2,-0.3 -0.996 17.7-146.9-122.1 123.8 62.8 -25.8 -12.5 43 130 A T E -bd 17 65B 0 21,-1.7 23,-3.7 -2,-0.5 2,-0.4 -0.651 7.8-158.7 -95.7 150.7 65.4 -23.8 -10.6 44 131 A L E -bd 18 66B 0 -27,-2.3 -25,-2.9 -2,-0.3 2,-0.6 -0.991 3.9-169.8-129.2 124.0 68.4 -22.1 -12.1 45 132 A H E -bd 19 67B 0 21,-3.0 23,-2.7 -2,-0.4 2,-0.6 -0.953 4.4-176.7-115.8 113.1 71.5 -21.1 -10.1 46 133 A V E +bd 20 68B 0 -27,-1.4 -25,-2.5 -2,-0.6 2,-0.3 -0.948 31.1 116.3-111.0 119.2 74.0 -18.9 -11.8 47 134 A T E - d 0 69B 0 21,-1.3 23,-3.0 -2,-0.6 2,-0.2 -0.900 65.4 -60.9-161.5-175.6 77.1 -18.2 -9.7 48 135 A F E > - d 0 70B 0 -2,-0.3 3,-2.6 21,-0.2 4,-0.3 -0.546 51.9-106.9 -82.7 149.7 80.9 -18.7 -9.7 49 136 A E G > S+ 0 0 113 21,-2.3 3,-0.8 1,-0.3 -1,-0.1 0.820 118.9 51.3 -40.9 -47.2 82.3 -22.3 -9.7 50 137 A P G 3 S+ 0 0 51 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 0.178 107.5 57.0 -80.8 20.0 83.4 -22.0 -6.0 51 138 A X G < + 0 0 1 -3,-2.6 -2,-0.2 2,-0.0 2,-0.1 0.364 63.1 126.1-132.9 6.4 80.0 -20.9 -4.9 52 139 A V < + 0 0 44 -3,-0.8 156,-0.6 -4,-0.3 2,-0.3 -0.444 34.3 171.2 -68.7 141.2 77.3 -23.4 -5.9 53 140 A I + 0 0 13 155,-0.1 -2,-0.0 -2,-0.1 154,-0.0 -0.975 50.4 22.7-147.9 158.3 75.2 -24.5 -2.9 54 141 A L S > S+ 0 0 23 -2,-0.3 4,-2.4 1,-0.1 5,-0.3 0.508 72.9 137.3 62.7 7.7 72.1 -26.5 -2.2 55 142 A K H > S+ 0 0 84 1,-0.2 4,-0.8 2,-0.2 5,-0.2 0.900 73.3 41.8 -47.7 -53.5 72.5 -28.3 -5.5 56 143 A E H >> S+ 0 0 135 1,-0.2 4,-1.0 2,-0.2 3,-0.7 0.922 113.6 55.1 -60.0 -48.5 71.7 -31.8 -4.0 57 144 A E H 34 S+ 0 0 92 1,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.857 111.7 38.8 -56.1 -46.5 68.8 -30.3 -2.0 58 145 A L H 3X S+ 0 0 1 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.506 103.7 66.1 -91.0 -1.3 66.8 -28.7 -4.7 59 146 A E H << S+ 0 0 84 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.769 108.3 45.0 -81.0 -26.4 67.3 -31.3 -7.4 60 147 A K T < S+ 0 0 195 -4,-1.0 -2,-0.2 -3,-0.2 -1,-0.2 0.608 116.6 45.6 -87.3 -16.0 65.2 -33.4 -5.0 61 148 A A T 4 S+ 0 0 17 -4,-0.3 2,-0.2 -26,-0.0 -2,-0.2 0.700 111.9 46.1-100.7 -26.3 62.7 -30.6 -4.4 62 149 A V S < S- 0 0 8 -4,-1.5 3,-0.2 1,-0.1 -20,-0.2 -0.738 84.2-114.0-115.7 166.0 62.0 -29.4 -7.9 63 150 A T S S+ 0 0 59 -22,-1.5 2,-0.3 1,-0.3 -21,-0.2 0.938 103.4 5.2 -63.0 -43.0 61.3 -31.2 -11.2 64 151 A R E -d 42 0B 80 -23,-1.0 -21,-1.7 -6,-0.1 2,-0.5 -0.984 62.7-163.3-147.6 132.2 64.7 -29.9 -12.5 65 152 A H E -d 43 0B 13 -2,-0.3 2,-0.4 -23,-0.2 -21,-0.2 -0.962 11.0-164.1-117.7 122.9 67.6 -27.9 -11.1 66 153 A I E -d 44 0B 34 -23,-3.7 -21,-3.0 -2,-0.5 2,-0.4 -0.873 2.7-168.6-108.5 134.7 70.1 -26.2 -13.3 67 154 A V E -d 45 0B 27 -2,-0.4 -21,-0.2 -23,-0.2 -23,-0.0 -0.984 5.5-171.5-124.6 127.4 73.5 -24.9 -12.2 68 155 A E E -d 46 0B 35 -23,-2.7 -21,-1.3 -2,-0.4 2,-0.7 -0.832 11.0-163.7-119.0 90.9 75.7 -22.7 -14.4 69 156 A P E -d 47 0B 50 0, 0.0 -21,-0.2 0, 0.0 -23,-0.1 -0.660 3.8-159.6 -80.9 113.4 79.1 -22.3 -12.7 70 157 A V E -d 48 0B 5 -23,-3.0 -21,-2.3 -2,-0.7 2,-0.2 -0.775 26.8-108.7 -93.2 134.0 81.0 -19.4 -14.2 71 158 A P - 0 0 67 0, 0.0 2,-1.2 0, 0.0 13,-0.1 -0.435 24.5-131.7 -65.2 126.9 84.9 -19.5 -13.6 72 159 A L - 0 0 33 -2,-0.2 6,-0.0 2,-0.0 9,-0.0 -0.669 18.7-157.1 -84.4 94.3 86.1 -16.9 -11.1 73 160 A N > - 0 0 55 -2,-1.2 3,-1.0 1,-0.1 8,-0.1 -0.616 5.6-166.2 -74.4 107.8 89.0 -15.3 -12.9 74 161 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.307 78.1 75.4 -77.4 9.4 91.2 -13.8 -10.0 75 162 A N T 3 S+ 0 0 139 2,-0.1 2,-0.3 0, 0.0 -2,-0.1 0.174 91.8 60.3-105.8 15.2 93.2 -11.7 -12.5 76 163 A Q S < S- 0 0 88 -3,-1.0 5,-0.1 3,-0.0 0, 0.0 -0.994 95.5 -93.2-141.7 147.4 90.3 -9.1 -13.0 77 164 A D >> - 0 0 95 -2,-0.3 4,-1.1 1,-0.1 3,-0.8 -0.185 47.2-108.0 -53.7 151.6 88.5 -6.8 -10.7 78 165 A F H 3> S+ 0 0 9 104,-0.6 4,-2.1 1,-0.2 5,-0.2 0.785 118.4 65.0 -56.3 -27.7 85.3 -8.5 -9.4 79 166 A L H 3> S+ 0 0 101 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.933 98.5 52.2 -60.3 -46.1 83.2 -6.2 -11.7 80 167 A A H <4 S+ 0 0 29 -3,-0.8 4,-0.5 1,-0.2 -1,-0.2 0.812 111.5 48.6 -59.7 -31.8 84.8 -7.8 -14.8 81 168 A N H >X S+ 0 0 1 -4,-1.1 4,-1.2 2,-0.2 3,-0.7 0.832 105.4 54.6 -78.4 -36.1 83.9 -11.3 -13.4 82 169 A X H 3X S+ 0 0 17 -4,-2.1 4,-2.8 1,-0.3 5,-0.2 0.832 98.7 65.5 -66.2 -31.2 80.2 -10.4 -12.5 83 170 A K H 3X S+ 0 0 98 -4,-1.6 4,-1.8 1,-0.2 -1,-0.3 0.835 99.7 51.8 -58.4 -34.3 79.9 -9.3 -16.1 84 171 A N H <> S+ 0 0 67 -3,-0.7 4,-2.6 -4,-0.5 -1,-0.2 0.873 109.6 47.8 -70.8 -39.2 80.4 -13.0 -17.1 85 172 A V H X S+ 0 0 0 -4,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.876 110.2 52.8 -68.7 -38.5 77.7 -14.2 -14.7 86 173 A S H X S+ 0 0 7 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.897 112.0 46.4 -62.6 -40.4 75.4 -11.6 -16.0 87 174 A Q H X S+ 0 0 82 -4,-1.8 4,-2.5 2,-0.2 3,-0.3 0.947 111.1 49.4 -65.8 -52.2 76.1 -12.8 -19.6 88 175 A R H X S+ 0 0 66 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.810 110.5 55.5 -56.3 -31.0 75.7 -16.5 -18.7 89 176 A L H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.881 108.9 42.6 -71.2 -43.3 72.4 -15.5 -17.0 90 177 A K H X S+ 0 0 74 -4,-1.6 4,-3.0 -3,-0.3 5,-0.3 0.937 115.3 52.0 -69.1 -46.4 70.8 -13.8 -20.0 91 178 A E H X S+ 0 0 117 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.905 110.9 44.7 -56.3 -49.8 72.0 -16.6 -22.3 92 179 A K H X S+ 0 0 30 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.864 117.1 45.3 -66.5 -37.2 70.6 -19.5 -20.2 93 180 A V H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 5,-0.3 0.954 112.4 49.8 -69.5 -51.3 67.2 -17.7 -19.7 94 181 A R H X S+ 0 0 79 -4,-3.0 4,-2.0 1,-0.3 -2,-0.2 0.901 113.7 49.6 -50.8 -43.3 66.9 -16.7 -23.3 95 182 A E H X S+ 0 0 105 -4,-2.1 4,-0.6 -5,-0.3 -1,-0.3 0.817 111.3 47.0 -67.2 -34.6 67.7 -20.3 -24.1 96 183 A L H < S+ 0 0 10 -4,-1.6 4,-0.4 -3,-0.3 -2,-0.2 0.732 116.5 43.0 -81.8 -23.9 65.1 -21.7 -21.7 97 184 A L H < S+ 0 0 10 -4,-2.3 -2,-0.2 2,-0.1 -3,-0.2 0.775 114.5 49.3 -89.3 -30.4 62.3 -19.4 -22.8 98 185 A E H < S+ 0 0 134 -4,-2.0 -2,-0.2 -5,-0.3 -3,-0.2 0.692 120.1 42.8 -78.7 -20.8 63.2 -19.8 -26.5 99 186 A S S < S+ 0 0 78 -4,-0.6 -3,-0.2 -5,-0.2 -2,-0.1 0.751 122.4 8.2 -86.0-103.6 63.1 -23.5 -25.8 100 187 A E S S- 0 0 47 -4,-0.4 2,-0.4 -5,-0.1 -1,-0.1 -0.033 80.2-107.4 -72.5 177.1 60.2 -24.6 -23.6 101 188 A D - 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