==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOTOSYNTHESIS,MEMBRANE PROTEIN 19-OCT-06 2ITA . COMPND 2 MOLECULE: INTRINSIC MEMBRANE PROTEIN PUFX; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES; . AUTHOR R.B.TUNNICLIFFE,E.C.RATCLIFFE,C.N.HUNTER,M.P.WILLIAMSON . 70 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6247.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 38 54.3 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 . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 42.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 4.3 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 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 198 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.4 31.9 -2.4 -11.0 2 2 A A + 0 0 52 1,-0.1 3,-0.1 4,-0.0 11,-0.0 -0.844 360.0 107.9-111.1 146.7 33.2 -4.9 -8.4 3 3 A D > + 0 0 100 1,-0.4 3,-0.7 -2,-0.3 2,-0.4 0.138 53.0 92.5-179.4 -38.8 36.0 -4.5 -5.9 4 4 A K T 3 S- 0 0 163 1,-0.3 -1,-0.4 3,-0.0 3,-0.1 -0.641 111.3 -18.2 -81.6 129.7 34.5 -4.1 -2.4 5 5 A T T 3 S- 0 0 128 -2,-0.4 -1,-0.3 1,-0.2 2,-0.2 0.820 89.7-175.4 44.4 37.8 34.1 -7.4 -0.4 6 6 A I < - 0 0 83 -3,-0.7 -1,-0.2 1,-0.1 2,-0.1 -0.428 2.9-176.6 -66.8 133.5 34.4 -9.3 -3.7 7 7 A F - 0 0 144 7,-0.2 2,-0.3 -2,-0.2 -1,-0.1 -0.296 21.9-116.6-113.2-161.6 34.0 -13.0 -3.3 8 8 A N + 0 0 101 -2,-0.1 6,-0.2 1,-0.1 5,-0.1 -0.890 28.6 167.3-149.7 114.0 34.2 -16.0 -5.7 9 9 A D S S- 0 0 61 3,-0.4 -1,-0.1 4,-0.4 5,-0.1 0.880 72.7 -22.8 -87.6 -88.8 31.3 -18.3 -6.6 10 10 A H S S- 0 0 163 0, 0.0 -2,-0.0 0, 0.0 3,-0.0 0.858 114.6 -46.1 -90.3 -89.3 32.1 -20.6 -9.6 11 11 A L S S+ 0 0 148 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.282 112.7 81.8-131.8 5.4 34.9 -19.3 -11.9 12 12 A N S S- 0 0 62 1,-0.1 -3,-0.4 0, 0.0 0, 0.0 -0.481 90.9 -90.8-105.8 178.6 33.9 -15.7 -12.3 13 13 A T - 0 0 77 -2,-0.2 -4,-0.4 -5,-0.1 -1,-0.1 0.957 69.3 -84.5 -51.4 -88.2 34.3 -12.5 -10.2 14 14 A N > + 0 0 3 -6,-0.2 4,-1.0 -8,-0.1 -7,-0.2 0.033 62.9 151.7 172.4 62.3 31.2 -12.5 -8.0 15 15 A P H > S+ 0 0 82 0, 0.0 4,-0.8 0, 0.0 5,-0.2 0.651 82.1 46.5 -77.3 -16.3 28.1 -10.8 -9.5 16 16 A K H > S+ 0 0 121 2,-0.2 4,-3.1 3,-0.1 5,-0.4 0.920 112.7 42.2 -90.1 -56.7 25.8 -13.0 -7.4 17 17 A T H > S+ 0 0 34 3,-0.2 4,-1.6 1,-0.2 5,-0.2 0.791 111.7 61.9 -61.8 -27.7 27.3 -12.8 -3.9 18 18 A N H X S+ 0 0 65 -4,-1.0 4,-0.7 2,-0.2 -1,-0.2 0.995 121.2 16.5 -61.8 -66.6 27.8 -9.1 -4.5 19 19 A L H X S+ 0 0 108 -4,-0.8 4,-3.6 2,-0.2 5,-0.2 0.850 127.6 56.4 -75.6 -37.6 24.1 -8.1 -5.0 20 20 A R H X S+ 0 0 96 -4,-3.1 4,-1.4 1,-0.2 -3,-0.2 0.882 110.0 43.2 -64.7 -39.7 22.7 -11.2 -3.5 21 21 A L H X S+ 0 0 87 -4,-1.6 4,-0.6 -5,-0.4 -1,-0.2 0.730 118.1 47.8 -79.4 -18.1 24.6 -10.8 -0.2 22 22 A W H X S+ 0 0 149 -4,-0.7 4,-1.4 -5,-0.2 5,-0.3 0.885 110.2 49.7 -84.4 -42.9 23.7 -7.1 -0.2 23 23 A V H X S+ 0 0 52 -4,-3.6 4,-1.4 1,-0.2 -2,-0.2 0.835 114.8 46.2 -63.2 -32.7 20.0 -7.7 -1.0 24 24 A A H X S+ 0 0 30 -4,-1.4 4,-1.7 -5,-0.2 5,-0.3 0.743 101.6 67.3 -79.6 -26.7 19.9 -10.2 1.8 25 25 A F H X S+ 0 0 79 -4,-0.6 4,-1.2 1,-0.2 5,-0.4 0.898 115.8 25.6 -61.4 -42.8 21.7 -7.8 4.1 26 26 A Q H <>S+ 0 0 67 -4,-1.4 5,-1.3 3,-0.2 6,-0.2 0.755 115.3 66.0 -90.6 -29.7 18.8 -5.4 4.2 27 27 A M H <5S+ 0 0 106 -4,-1.4 -2,-0.2 -5,-0.3 -3,-0.2 0.805 113.4 33.8 -58.9 -31.9 16.3 -8.2 3.4 28 28 A M H <5S+ 0 0 138 -4,-1.7 4,-0.2 3,-0.1 -1,-0.2 0.830 136.9 21.6 -93.0 -41.2 17.1 -9.6 6.8 29 29 A K T >X5S+ 0 0 126 -4,-1.2 3,-1.9 -5,-0.3 4,-0.9 0.907 125.4 49.0 -91.4 -58.2 17.8 -6.5 8.8 30 30 A G H 3>5S+ 0 0 39 -5,-0.4 4,-1.1 1,-0.3 5,-0.4 0.770 109.7 57.5 -51.8 -27.2 16.0 -3.9 6.7 31 31 A A H 34S+ 0 0 49 -4,-1.1 4,-2.2 1,-0.2 5,-1.6 0.817 119.8 65.9 -67.9 -30.3 9.9 -1.4 9.0 35 35 A G H 4>S+ 0 0 36 -4,-0.5 5,-1.0 -5,-0.4 4,-0.3 0.938 115.5 26.1 -56.8 -49.0 8.4 -4.8 9.4 36 36 A G H 45S+ 0 0 46 -4,-0.4 -2,-0.2 3,-0.2 -1,-0.2 0.806 129.2 44.5 -85.1 -31.7 8.2 -4.5 13.2 37 37 A V H X5S+ 0 0 64 -4,-2.6 4,-0.7 3,-0.2 -3,-0.2 0.961 128.0 25.5 -75.4 -55.3 8.0 -0.7 13.3 38 38 A F H X5S+ 0 0 133 -4,-2.2 4,-3.0 -5,-0.2 -3,-0.2 0.974 136.3 30.7 -73.8 -58.5 5.5 -0.2 10.5 39 39 A F H > S+ 0 0 83 -4,-0.5 4,-0.6 -5,-0.4 -2,-0.2 0.889 123.5 25.8 -72.4 -39.2 -1.0 -2.7 17.0 45 45 A I H X S+ 0 0 106 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.894 124.3 47.4 -89.6 -49.6 -3.4 0.0 15.9 46 46 A G H X S+ 0 0 29 -4,-3.2 4,-0.9 -5,-0.3 -3,-0.2 0.801 119.8 42.6 -63.6 -27.5 -5.4 -1.6 13.2 47 47 A F H X S+ 0 0 134 -4,-0.8 4,-1.5 -5,-0.5 -1,-0.2 0.809 116.6 46.6 -86.4 -33.0 -5.8 -4.6 15.4 48 48 A F H X S+ 0 0 66 -4,-0.6 4,-1.0 2,-0.2 -2,-0.2 0.794 115.0 47.1 -76.6 -31.5 -6.5 -2.5 18.5 49 49 A R H < S+ 0 0 149 -4,-3.1 -2,-0.2 2,-0.2 -1,-0.2 0.788 112.4 48.6 -81.4 -29.6 -9.0 -0.3 16.7 50 50 A V H >X S+ 0 0 58 -4,-0.9 3,-1.1 -5,-0.3 4,-1.0 0.853 110.6 50.6 -78.2 -34.8 -10.8 -3.2 15.1 51 51 A V H 3< S+ 0 0 61 -4,-1.5 3,-0.2 1,-0.3 -2,-0.2 0.840 113.9 45.4 -70.5 -31.7 -11.2 -5.1 18.4 52 52 A G T 3< S+ 0 0 23 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.208 111.2 56.0 -94.2 14.9 -12.5 -1.9 19.9 53 53 A R T <4 S+ 0 0 137 -3,-1.1 -2,-0.2 3,-0.1 -1,-0.2 0.531 118.4 24.8-118.2 -17.0 -14.8 -1.4 16.9 54 54 A M S < S+ 0 0 125 -4,-1.0 -2,-0.1 -3,-0.2 -3,-0.1 -0.020 126.2 37.5-140.6 34.1 -16.7 -4.7 16.9 55 55 A L S >>>S+ 0 0 86 -4,-0.1 4,-3.1 3,-0.0 3,-0.7 0.372 109.9 46.0-145.3 -64.0 -16.6 -6.0 20.4 56 56 A P H 3>5S+ 0 0 21 0, 0.0 6,-1.7 0, 0.0 4,-0.9 0.721 103.4 74.0 -60.9 -17.8 -16.9 -3.4 23.2 57 57 A I H 345S+ 0 0 53 4,-0.2 -3,-0.1 3,-0.2 -5,-0.0 0.960 119.0 9.1 -60.1 -52.9 -19.7 -2.1 21.1 58 58 A Q H <45S+ 0 0 133 -3,-0.7 -1,-0.1 3,-0.2 -3,-0.0 0.844 132.5 53.4 -93.1 -44.3 -22.0 -4.9 22.1 59 59 A E H <5S+ 0 0 140 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.1 0.826 130.7 21.2 -60.5 -32.3 -19.9 -6.5 24.8 60 60 A N S <