==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN, TRANSFERASE 05-JAN-09 3FPF . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER THERMAUTOTROPHICUS . AUTHOR C.DREYFUS,D.PIGNOL,P.ARNOUX . 528 2 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24414.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 391 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 5.3 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 . 25 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 38.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 0 2 0 3 1 0 3 0 2 3 1 0 0 0 1 0 0 0 0 0 0 0 0 2 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 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 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 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 S 0 0 55 0, 0.0 506,-0.2 0, 0.0 503,-0.1 0.000 360.0 360.0 360.0-179.7 -26.7 -4.7 26.5 2 3 A a + 0 0 39 504,-0.1 2,-0.2 527,-0.0 505,-0.1 -0.274 360.0 170.2-161.3 46.9 -29.8 -2.5 26.7 3 4 A Y >> - 0 0 18 1,-0.1 3,-1.4 48,-0.1 4,-0.7 -0.497 35.4-136.4 -73.6 135.4 -30.1 -0.3 23.6 4 5 A I H 3> S+ 0 0 105 1,-0.3 4,-1.4 -2,-0.2 3,-0.3 0.820 102.8 64.2 -59.5 -30.5 -33.4 1.6 23.2 5 6 A Y H 3> S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.692 86.9 71.4 -67.9 -22.8 -33.5 0.7 19.5 6 7 A W H <> S+ 0 0 47 -3,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.975 104.4 38.2 -56.7 -56.0 -33.8 -3.0 20.4 7 8 A D H X S+ 0 0 110 -4,-0.7 4,-2.7 -3,-0.3 -1,-0.2 0.869 113.4 56.9 -63.8 -39.6 -37.4 -2.7 21.6 8 9 A K H X S+ 0 0 101 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.909 109.5 45.9 -58.4 -43.3 -38.2 -0.2 18.9 9 10 A I H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.911 111.2 51.6 -66.3 -44.0 -37.2 -2.7 16.2 10 11 A K H X S+ 0 0 71 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.899 110.5 50.2 -59.5 -40.1 -39.1 -5.5 17.9 11 12 A R H X S+ 0 0 183 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.937 110.8 47.1 -65.8 -47.2 -42.2 -3.3 18.0 12 13 A I H >X S+ 0 0 6 -4,-2.4 3,-1.2 1,-0.2 4,-0.5 0.955 111.8 52.5 -55.7 -49.5 -42.0 -2.4 14.3 13 14 A A H >X S+ 0 0 5 -4,-2.8 4,-1.4 1,-0.3 3,-1.3 0.845 101.4 59.6 -56.0 -37.9 -41.4 -6.1 13.5 14 15 A S H 3< S+ 0 0 71 -4,-1.9 4,-0.4 1,-0.3 -1,-0.3 0.806 105.0 50.4 -64.3 -26.6 -44.5 -7.1 15.5 15 16 A R H << S+ 0 0 117 -3,-1.2 -1,-0.3 -4,-1.1 -2,-0.2 0.511 111.2 49.0 -91.0 -5.3 -46.6 -4.9 13.1 16 17 A L H X< S+ 0 0 0 -3,-1.3 3,-2.2 -4,-0.5 4,-0.4 0.608 88.6 85.0 -95.8 -19.6 -44.9 -6.6 10.1 17 18 A E G >< S+ 0 0 94 -4,-1.4 3,-1.8 1,-0.3 -2,-0.1 0.867 84.1 56.6 -51.9 -44.5 -45.5 -10.2 11.3 18 19 A G G 3 S+ 0 0 86 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.409 106.1 51.9 -75.4 1.4 -49.1 -10.4 9.9 19 20 A M G X S+ 0 0 52 -3,-2.2 3,-2.4 2,-0.0 -1,-0.3 0.342 79.6 135.8-106.9 -4.2 -47.7 -9.5 6.4 20 21 A N T < S+ 0 0 22 -3,-1.8 47,-0.1 -4,-0.4 -3,-0.0 -0.178 75.1 10.3 -54.6 139.9 -45.0 -12.3 6.4 21 22 A Y T 3 S+ 0 0 175 1,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.401 126.7 65.2 71.7 2.3 -44.8 -14.3 3.1 22 23 A H X + 0 0 101 -3,-2.4 3,-1.6 2,-0.1 -2,-0.2 0.043 53.1 122.2-141.7 27.1 -47.1 -11.7 1.5 23 24 A F G > + 0 0 0 1,-0.3 3,-1.5 2,-0.2 -3,-0.1 0.722 68.7 69.1 -64.8 -23.7 -45.2 -8.4 1.5 24 25 A D G 3 S+ 0 0 97 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.1 0.671 91.2 62.9 -68.8 -14.0 -45.5 -8.2 -2.3 25 26 A E G < S+ 0 0 141 -3,-1.6 -1,-0.3 -6,-0.2 -2,-0.2 0.436 80.6 127.9 -87.2 -0.6 -49.3 -7.6 -1.7 26 27 A M < - 0 0 13 -3,-1.5 2,-0.7 1,-0.1 3,-0.1 -0.129 65.1-121.1 -59.7 149.1 -48.6 -4.3 0.1 27 28 A D > - 0 0 111 1,-0.2 4,-1.5 2,-0.0 5,-0.2 -0.855 23.7-149.6 -88.7 115.7 -50.2 -1.0 -0.7 28 29 A T T 4 S+ 0 0 13 -2,-0.7 4,-0.5 1,-0.2 3,-0.4 0.902 91.8 41.6 -57.5 -53.5 -47.3 1.3 -1.5 29 30 A S T >4 S+ 0 0 94 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.929 114.3 55.4 -60.0 -43.0 -48.7 4.6 -0.4 30 31 A G T 34 S+ 0 0 50 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.733 107.6 46.6 -64.1 -29.0 -50.3 3.0 2.8 31 32 A V T >X S+ 0 0 13 -4,-1.5 4,-1.7 -3,-0.4 3,-0.7 0.391 79.6 99.9 -99.6 4.4 -47.0 1.5 4.1 32 33 A M H <> S+ 0 0 34 -3,-1.2 4,-2.2 -4,-0.5 -1,-0.2 0.896 78.4 58.6 -56.4 -42.0 -44.8 4.6 3.6 33 34 A P H 3> S+ 0 0 76 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.852 103.1 53.8 -55.8 -34.5 -45.2 5.4 7.4 34 35 A L H <> S+ 0 0 21 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.912 106.4 51.0 -64.5 -42.9 -43.7 2.0 8.2 35 36 A L H X S+ 0 0 3 -4,-1.7 4,-3.3 1,-0.2 5,-0.2 0.923 108.4 53.1 -58.4 -41.6 -40.7 2.8 6.0 36 37 A D H X S+ 0 0 75 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.898 107.5 51.1 -59.9 -40.8 -40.3 6.1 7.9 37 38 A E H X S+ 0 0 68 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.918 113.9 43.8 -61.4 -45.1 -40.3 4.2 11.2 38 39 A I H >X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 3,-0.8 0.945 113.9 49.6 -67.8 -47.6 -37.6 1.8 9.9 39 40 A E H 3X S+ 0 0 3 -4,-3.3 4,-2.9 1,-0.2 -2,-0.2 0.806 99.1 66.1 -64.7 -29.4 -35.5 4.6 8.4 40 41 A E H 3< S+ 0 0 159 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.888 112.1 36.0 -56.3 -38.1 -35.6 6.7 11.5 41 42 A I H X< S+ 0 0 9 -4,-0.9 3,-1.5 -3,-0.8 -2,-0.2 0.941 116.7 51.5 -78.2 -52.7 -33.6 4.0 13.1 42 43 A A H 3< S+ 0 0 1 -4,-2.6 184,-0.3 1,-0.3 183,-0.2 0.862 115.2 43.2 -48.7 -44.0 -31.4 3.1 10.1 43 44 A H T 3< S+ 0 0 35 -4,-2.9 2,-0.8 -5,-0.1 -1,-0.3 0.368 78.8 123.7 -89.4 -0.6 -30.5 6.8 9.6 44 45 A D X - 0 0 48 -3,-1.5 3,-1.7 1,-0.2 181,-0.2 -0.511 46.2-162.2 -68.4 106.2 -29.8 7.7 13.2 45 46 A S T 3 S+ 0 0 117 -2,-0.8 -1,-0.2 1,-0.3 -4,-0.0 0.625 82.2 70.5 -70.1 -11.5 -26.2 9.0 13.2 46 47 A T T 3 S+ 0 0 102 2,-0.1 2,-0.9 464,-0.0 -1,-0.3 0.613 77.7 93.0 -77.0 -10.7 -25.8 8.5 17.0 47 48 A I S < S- 0 0 12 -3,-1.7 178,-0.3 -6,-0.1 462,-0.1 -0.741 72.8-147.1 -86.2 109.4 -25.8 4.7 16.4 48 49 A D > - 0 0 30 -2,-0.9 4,-2.2 1,-0.1 5,-0.2 -0.295 22.7-111.2 -71.4 161.4 -22.1 3.6 16.1 49 50 A F H > S+ 0 0 94 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.860 117.4 53.5 -65.3 -36.0 -21.2 0.7 13.8 50 51 A E H > S+ 0 0 83 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 110.4 47.0 -62.7 -42.9 -20.3 -1.5 16.7 51 52 A S H > S+ 0 0 4 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.887 111.4 51.9 -65.7 -39.6 -23.6 -0.9 18.4 52 53 A A H X S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.938 110.3 47.9 -60.8 -47.0 -25.5 -1.6 15.2 53 54 A K H X S+ 0 0 108 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.896 106.8 57.8 -60.9 -42.5 -23.6 -4.9 14.7 54 55 A H H X S+ 0 0 38 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.909 114.5 37.7 -52.2 -47.5 -24.4 -5.8 18.4 55 56 A I H >< S+ 0 0 1 -4,-1.8 3,-0.7 2,-0.2 -2,-0.2 0.948 118.4 45.7 -71.2 -49.8 -28.1 -5.5 17.7 56 57 A L H 3< S+ 0 0 11 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.756 113.2 48.6 -77.5 -21.7 -28.3 -6.9 14.1 57 58 A D H 3< S+ 0 0 107 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.580 81.8 114.8 -90.3 -13.8 -26.1 -10.0 14.8 58 59 A D X< - 0 0 48 -3,-0.7 3,-2.2 -4,-0.6 4,-0.3 -0.385 69.2-135.1 -59.3 127.8 -28.0 -11.1 17.9 59 60 A A G > S+ 0 0 86 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.832 104.4 60.7 -53.9 -35.7 -29.7 -14.4 17.4 60 61 A E G 3 S+ 0 0 139 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.565 101.6 54.5 -69.7 -11.7 -32.9 -13.1 19.1 61 62 A M G <> S+ 0 0 0 -3,-2.2 4,-2.7 -6,-0.2 -1,-0.3 0.409 80.7 96.4 -97.7 -3.3 -33.1 -10.3 16.4 62 63 A N H <> S+ 0 0 109 -3,-1.5 4,-2.0 -4,-0.3 -2,-0.1 0.893 84.2 43.7 -61.6 -43.2 -33.1 -12.8 13.5 63 64 A H H > S+ 0 0 92 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.892 115.1 49.8 -69.5 -37.8 -36.8 -13.0 12.8 64 65 A A H > S+ 0 0 4 -4,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.918 110.1 50.3 -65.5 -45.4 -37.3 -9.3 13.2 65 66 A L H X S+ 0 0 11 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.908 109.0 53.0 -58.4 -42.4 -34.5 -8.6 10.8 66 67 A S H X S+ 0 0 51 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.892 109.1 48.6 -61.9 -39.2 -36.0 -11.0 8.3 67 68 A L H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.932 113.4 46.3 -66.3 -45.0 -39.4 -9.2 8.5 68 69 A I H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.910 112.5 50.1 -66.1 -41.4 -37.9 -5.8 8.0 69 70 A R H X S+ 0 0 62 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.915 110.6 49.4 -64.5 -42.6 -35.7 -7.0 5.1 70 71 A K H X S+ 0 0 60 -4,-2.2 4,-2.0 -5,-0.2 5,-0.2 0.928 112.2 49.2 -60.6 -43.8 -38.7 -8.6 3.3 71 72 A F H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.946 112.0 48.9 -59.4 -48.1 -40.7 -5.4 3.8 72 73 A Y H X S+ 0 0 33 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.897 111.9 45.1 -62.8 -48.7 -37.9 -3.3 2.4 73 74 A V H X S+ 0 0 50 -4,-2.4 4,-2.1 156,-0.2 -1,-0.2 0.888 115.8 48.0 -68.5 -35.0 -37.1 -5.2 -0.7 74 75 A N H X S+ 0 0 35 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.910 112.3 47.3 -71.3 -42.0 -40.8 -5.6 -1.6 75 76 A L H X S+ 0 0 3 -4,-2.9 4,-2.8 -5,-0.2 5,-0.2 0.941 112.1 51.7 -62.5 -45.0 -41.6 -1.9 -1.1 76 77 A G H X S+ 0 0 19 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.932 111.0 46.6 -55.9 -51.2 -38.5 -0.9 -3.2 77 78 A M H X S+ 0 0 95 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.909 113.8 48.0 -58.6 -44.0 -39.5 -3.2 -6.1 78 79 A K H X S+ 0 0 61 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.915 109.8 52.2 -68.6 -41.4 -43.1 -2.0 -6.0 79 80 A L H X S+ 0 0 18 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.911 112.9 46.1 -57.3 -43.9 -42.1 1.7 -5.9 80 81 A E H X S+ 0 0 27 -4,-2.3 4,-3.1 -5,-0.2 -2,-0.2 0.913 112.1 49.4 -64.5 -47.8 -39.8 1.2 -8.9 81 82 A M H X S+ 0 0 74 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.938 113.5 47.2 -57.5 -48.3 -42.5 -0.7 -10.9 82 83 A E H X S+ 0 0 90 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.919 114.7 45.0 -61.4 -44.8 -45.1 2.0 -10.2 83 84 A K H X S+ 0 0 16 -4,-2.3 4,-3.1 -5,-0.2 5,-0.2 0.928 109.1 56.5 -69.5 -42.0 -42.7 4.8 -11.1 84 85 A A H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.932 110.9 44.1 -50.8 -51.5 -41.5 3.1 -14.3 85 86 A Q H X S+ 0 0 90 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.883 112.4 52.6 -63.8 -39.0 -45.1 2.8 -15.6 86 87 A E H X S+ 0 0 100 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.909 109.7 48.8 -60.9 -44.4 -45.8 6.4 -14.6 87 88 A V H >< S+ 0 0 1 -4,-3.1 3,-0.7 1,-0.2 -2,-0.2 0.913 109.4 51.7 -62.2 -45.4 -42.8 7.6 -16.5 88 89 A I H 3< S+ 0 0 42 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.829 115.4 42.3 -60.0 -35.4 -43.7 5.7 -19.6 89 90 A E H 3< S+ 0 0 144 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.548 94.9 109.6 -89.9 -6.7 -47.3 7.1 -19.6 90 91 A S << - 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