==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-MAR-11 3R8X . COMPND 2 MOLECULE: METHIONYL-TRNA FORMYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR N.MALTSEVA,Y.KIM,J.HASSEMAN,W.F.ANDERSON,A.JOACHIMIAK,CENTER . 310 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 16.1 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 23 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 0 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 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 . 3 1 0 4 0 0 1 1 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 . 1 0 0 0 0 1 1 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 0 A A 0 0 159 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.4 -40.2 -41.3 7.9 2 1 A M - 0 0 177 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.259 360.0-153.0 -67.1 128.4 -37.7 -39.5 10.2 3 2 A S - 0 0 55 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.247 24.9-117.2 -78.1-179.0 -34.4 -38.1 9.0 4 3 A D - 0 0 101 -2,-0.1 2,-0.5 177,-0.1 24,-0.1 -0.862 11.2-127.7-128.9 158.4 -31.5 -37.8 11.5 5 4 A S - 0 0 57 -2,-0.3 2,-0.3 179,-0.1 24,-0.1 -0.914 21.8-162.9-113.7 129.2 -29.4 -35.0 13.0 6 5 A L - 0 0 1 -2,-0.5 24,-3.1 74,-0.0 2,-0.6 -0.762 21.8-124.8-109.6 152.2 -25.6 -34.9 13.0 7 6 A R E -a 30 0A 89 -2,-0.3 73,-2.4 22,-0.2 74,-1.6 -0.880 41.5-168.5 -94.6 120.0 -23.1 -32.9 15.0 8 7 A I E -ab 31 81A 0 22,-3.4 24,-2.0 -2,-0.6 25,-0.9 -0.893 27.6-153.7-121.3 136.0 -20.9 -31.2 12.4 9 8 A I E -ab 33 82A 1 72,-2.3 74,-3.0 -2,-0.4 2,-0.5 -0.907 24.2-154.5 -97.2 129.4 -17.7 -29.2 12.3 10 9 A F E -ab 34 83A 0 23,-2.5 25,-3.3 -2,-0.5 2,-0.4 -0.919 11.4-172.9-108.2 132.5 -17.7 -26.9 9.3 11 10 A A E +ab 35 84A 1 72,-2.9 74,-2.7 -2,-0.5 2,-0.3 -0.981 29.3 118.6-124.7 119.5 -14.4 -25.7 7.7 12 11 A G E - b 0 85A 0 23,-2.2 75,-0.3 -2,-0.4 74,-0.2 -0.979 34.5-166.3-166.9 162.8 -14.5 -23.1 5.0 13 12 A T + 0 0 18 73,-1.2 35,-1.7 72,-0.6 36,-0.3 0.724 59.9 55.5-122.0 -57.5 -13.4 -19.6 4.0 14 13 A P S > S- 0 0 47 0, 0.0 4,-2.1 0, 0.0 3,-0.5 -0.063 89.6 -89.2 -83.8-179.7 -15.1 -17.9 0.9 15 14 A D H > S+ 0 0 86 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.844 124.6 60.2 -58.4 -38.9 -18.6 -17.0 -0.2 16 15 A F H > S+ 0 0 17 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.943 110.2 43.3 -54.1 -47.2 -19.0 -20.4 -1.9 17 16 A A H > S+ 0 0 0 -3,-0.5 4,-2.5 1,-0.2 3,-0.4 0.868 108.6 57.5 -63.4 -41.0 -18.4 -21.9 1.6 18 17 A A H X S+ 0 0 10 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.866 101.7 56.0 -61.9 -35.6 -20.6 -19.4 3.4 19 18 A R H X S+ 0 0 94 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.839 109.2 47.7 -66.8 -31.2 -23.5 -20.5 1.2 20 19 A H H X S+ 0 0 0 -4,-0.9 4,-2.2 -3,-0.4 -2,-0.2 0.933 110.3 49.6 -71.5 -47.9 -22.9 -24.1 2.4 21 20 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.866 107.8 58.0 -56.6 -36.9 -22.7 -23.1 6.1 22 21 A G H X S+ 0 0 22 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.923 106.1 46.3 -58.8 -47.0 -26.0 -21.2 5.5 23 22 A A H X S+ 0 0 30 -4,-1.4 4,-0.9 1,-0.2 -1,-0.2 0.921 112.5 51.8 -62.4 -40.8 -27.8 -24.3 4.3 24 23 A L H >< S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.2 5,-0.2 0.910 106.8 52.4 -62.8 -41.7 -26.3 -26.2 7.3 25 24 A L H 3< S+ 0 0 41 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.844 109.7 50.6 -62.7 -31.2 -27.6 -23.5 9.8 26 25 A S H 3< S+ 0 0 110 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.649 101.6 81.1 -79.0 -16.4 -31.0 -23.9 8.3 27 26 A S S << S- 0 0 26 -4,-0.9 -22,-0.0 -3,-0.8 -3,-0.0 -0.203 93.7-106.2 -85.1 178.4 -31.0 -27.7 8.6 28 27 A Q S S+ 0 0 92 -24,-0.1 -1,-0.1 2,-0.1 -4,-0.1 0.523 87.1 108.2 -81.2 -6.0 -31.7 -29.9 11.6 29 28 A H S S- 0 0 13 -5,-0.2 2,-0.6 -24,-0.1 -22,-0.2 -0.322 71.8-122.7 -71.0 159.0 -28.0 -30.7 11.9 30 29 A K E -a 7 0A 107 -24,-3.1 -22,-3.4 -2,-0.0 2,-0.8 -0.905 14.1-155.1-108.6 115.0 -26.0 -29.2 14.8 31 30 A I E +a 8 0A 11 -2,-0.6 -22,-0.2 -24,-0.2 3,-0.1 -0.786 13.9 180.0 -92.1 109.4 -23.0 -27.1 13.8 32 31 A V E - 0 0 15 -24,-2.0 2,-0.3 -2,-0.8 -23,-0.2 0.705 62.1 -10.2 -85.7 -21.1 -20.7 -27.4 16.8 33 32 A G E -a 9 0A 0 -25,-0.9 -23,-2.5 24,-0.1 2,-0.4 -0.965 56.8-134.6-173.2 158.6 -17.9 -25.2 15.5 34 33 A V E -ac 10 59A 0 24,-2.6 26,-2.7 -2,-0.3 2,-0.4 -0.986 11.8-157.8-128.1 126.2 -16.5 -23.4 12.4 35 34 A F E +ac 11 60A 1 -25,-3.3 -23,-2.2 -2,-0.4 2,-0.3 -0.864 23.5 161.6-101.1 137.0 -12.9 -23.4 11.1 36 35 A T - 0 0 0 24,-2.2 -23,-0.2 -2,-0.4 3,-0.1 -0.955 42.2 -84.5-149.1 164.6 -11.8 -20.7 8.9 37 36 A Q - 0 0 41 -2,-0.3 9,-0.3 -25,-0.2 3,-0.1 -0.358 56.6 -91.3 -68.7 153.3 -8.6 -19.0 7.6 38 37 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 22,-0.0 -0.346 58.5 -84.4 -60.0 147.5 -7.0 -16.4 9.8 39 38 A D - 0 0 49 -3,-0.1 22,-0.0 4,-0.1 -3,-0.0 -0.222 51.4-157.6 -56.2 140.3 -8.2 -12.8 8.9 40 39 A R B H 44 0B 130 4,-1.5 4,-2.7 -3,-0.1 -1,-0.1 -0.865 360.0 360.0-122.4 153.8 -6.3 -11.3 6.0 41 40 A P 0 0 141 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.178 360.0 360.0 -66.4 360.0 -5.6 -7.7 4.8 42 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 43 47 A L 0 0 158 0, 0.0 -4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.8 -7.7 -7.1 8.5 44 48 A T B -H 40 0B 84 -4,-2.7 -4,-1.5 -3,-0.0 2,-0.2 -0.950 360.0-133.0-121.9 137.3 -10.9 -8.7 7.0 45 49 A P - 0 0 44 0, 0.0 -6,-0.0 0, 0.0 5,-0.0 -0.597 34.7-108.7 -78.5 145.2 -13.0 -11.6 8.4 46 50 A S > - 0 0 14 -9,-0.3 4,-2.5 -2,-0.2 5,-0.2 -0.327 26.3-109.8 -73.7 157.2 -13.9 -14.2 5.9 47 51 A P H > S+ 0 0 47 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.862 122.7 55.0 -51.1 -39.5 -17.5 -14.4 4.7 48 52 A V H > S+ 0 0 0 -35,-1.7 4,-2.8 2,-0.2 5,-0.2 0.933 107.7 48.5 -61.0 -45.8 -17.7 -17.7 6.6 49 53 A K H > S+ 0 0 26 -36,-0.3 4,-2.6 2,-0.2 5,-0.3 0.923 111.2 49.7 -59.7 -46.2 -16.5 -16.0 9.8 50 54 A I H X S+ 0 0 93 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.945 114.3 44.7 -59.0 -49.0 -19.0 -13.2 9.4 51 55 A L H X S+ 0 0 46 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.907 113.8 49.9 -62.3 -41.8 -21.9 -15.6 8.9 52 56 A A H <>S+ 0 0 0 -4,-2.8 5,-2.8 1,-0.2 -2,-0.2 0.935 111.8 46.3 -65.0 -45.2 -20.7 -17.9 11.8 53 57 A E H <5S+ 0 0 108 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.768 105.7 60.6 -74.0 -22.2 -20.4 -15.1 14.3 54 58 A H H <5S+ 0 0 153 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.908 110.6 41.4 -65.1 -40.3 -23.8 -13.7 13.3 55 59 A H T <5S- 0 0 99 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.352 117.6-115.6 -89.9 4.3 -25.3 -17.0 14.3 56 60 A G T 5 + 0 0 59 -3,-0.5 -3,-0.2 1,-0.2 -4,-0.1 0.771 59.9 155.0 69.7 27.5 -23.2 -17.2 17.4 57 61 A I < - 0 0 30 -5,-2.8 -1,-0.2 -6,-0.2 2,-0.1 -0.718 52.7-102.0 -86.2 136.9 -21.3 -20.3 16.3 58 62 A P - 0 0 66 0, 0.0 -24,-2.6 0, 0.0 2,-0.4 -0.360 39.5-153.5 -58.4 128.5 -17.8 -20.8 17.8 59 63 A V E -c 34 0A 29 -26,-0.2 2,-0.4 -2,-0.1 -24,-0.2 -0.847 10.3-168.7-109.1 138.8 -15.1 -19.8 15.3 60 64 A F E -c 35 0A 52 -26,-2.7 -24,-2.2 -2,-0.4 -27,-0.0 -0.989 8.3-178.7-130.3 133.8 -11.6 -21.2 15.2 61 65 A Q + 0 0 52 -2,-0.4 2,-0.1 -26,-0.2 -26,-0.1 -0.359 10.4 171.1-134.2 58.2 -8.8 -19.9 13.1 62 66 A P - 0 0 10 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.397 35.2-136.1 -64.6 140.4 -5.6 -21.9 13.6 63 67 A K S S+ 0 0 160 1,-0.2 2,-0.3 -26,-0.1 -26,-0.0 0.860 88.8 10.1 -64.2 -34.7 -2.8 -21.1 11.2 64 68 A S - 0 0 41 25,-0.1 -1,-0.2 1,-0.1 27,-0.1 -0.984 50.0-158.3-143.4 149.2 -2.2 -24.8 10.7 65 69 A L S S+ 0 0 3 25,-0.4 5,-0.1 -2,-0.3 30,-0.1 0.423 83.4 82.6 -98.3 -3.9 -3.9 -28.1 11.6 66 70 A R + 0 0 150 4,-0.1 2,-0.1 3,-0.1 28,-0.1 0.898 66.0 90.3 -68.1 -44.2 -0.6 -30.0 11.3 67 71 A P S > S- 0 0 62 0, 0.0 3,-2.2 0, 0.0 4,-0.5 -0.389 85.7-123.0 -61.0 130.7 0.8 -29.3 14.7 68 72 A E T 3 S+ 0 0 143 1,-0.3 3,-0.3 2,-0.2 4,-0.2 0.647 103.4 48.6 -57.0 -27.1 -0.4 -32.0 17.1 69 73 A E T 3 S+ 0 0 117 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.502 97.7 65.0 -97.4 1.3 -2.1 -29.8 19.7 70 74 A N S X S+ 0 0 51 -3,-2.2 3,-0.6 1,-0.2 4,-0.4 0.538 92.5 71.5 -81.4 -8.2 -4.2 -27.7 17.3 71 75 A Q T >> S+ 0 0 23 -4,-0.5 4,-1.8 -3,-0.3 3,-0.6 0.709 80.5 69.0 -80.6 -19.9 -5.7 -31.1 16.7 72 76 A H H 3> S+ 0 0 68 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.749 85.4 70.3 -68.0 -23.3 -7.4 -31.0 20.1 73 77 A L H <> S+ 0 0 33 -3,-0.6 4,-0.6 1,-0.2 -1,-0.2 0.933 105.5 40.3 -57.4 -41.0 -9.6 -28.2 18.7 74 78 A V H X4 S+ 0 0 4 -3,-0.6 3,-0.9 -4,-0.4 4,-0.4 0.929 112.6 52.7 -72.8 -49.7 -11.2 -30.8 16.6 75 79 A A H >< S+ 0 0 57 -4,-1.8 3,-1.0 1,-0.2 -1,-0.2 0.831 105.4 54.5 -57.6 -36.6 -11.4 -33.6 19.1 76 80 A D H 3< S+ 0 0 118 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.701 92.7 70.6 -76.7 -21.1 -13.1 -31.5 21.8 77 81 A L T << S- 0 0 25 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.655 91.8-145.9 -71.1 -14.5 -16.0 -30.5 19.5 78 82 A N < + 0 0 128 -3,-1.0 2,-0.3 -4,-0.4 -3,-0.1 0.945 33.1 176.8 55.8 56.2 -17.2 -34.2 19.7 79 83 A A - 0 0 18 -5,-0.3 21,-1.3 1,-0.1 -71,-0.2 -0.680 43.3-147.1-104.8 148.7 -18.5 -34.3 16.1 80 84 A D S S- 0 0 31 -73,-2.4 21,-3.2 -2,-0.3 2,-0.3 0.810 85.1 -8.2 -70.1 -34.7 -20.1 -36.9 13.9 81 85 A I E -b 8 0A 0 -74,-1.6 -72,-2.3 19,-0.2 2,-0.5 -0.994 58.6-127.3-159.9 159.0 -18.5 -35.4 10.8 82 86 A M E -bd 9 103A 3 20,-1.9 22,-2.6 -2,-0.3 2,-0.5 -0.978 17.9-156.1-118.2 131.4 -16.5 -32.6 9.4 83 87 A V E -bd 10 104A 0 -74,-3.0 -72,-2.9 -2,-0.5 2,-0.5 -0.923 10.5-166.2-107.6 127.2 -17.7 -30.7 6.3 84 88 A V E +bd 11 105A 0 20,-2.9 22,-1.7 -2,-0.5 2,-0.4 -0.953 13.6 167.6-121.3 119.2 -15.0 -29.0 4.2 85 89 A V E S-b 12 0A 0 -74,-2.7 -72,-0.6 -2,-0.5 -68,-0.1 -0.928 74.2 -33.1-134.7 113.8 -15.8 -26.4 1.6 86 90 A A S S+ 0 0 30 -2,-0.4 -73,-1.2 20,-0.4 -69,-0.2 0.892 82.2 152.9 44.5 48.5 -13.0 -24.2 0.0 87 91 A Y - 0 0 0 -75,-0.3 -50,-0.2 -76,-0.2 -75,-0.2 0.941 37.4-151.2 -73.5 -51.4 -11.2 -24.2 3.4 88 92 A G + 0 0 53 1,-0.4 2,-0.3 -52,-0.0 -1,-0.1 0.434 61.4 91.3 95.0 -4.0 -7.8 -23.7 2.0 89 93 A L S S- 0 0 25 -25,-0.0 -1,-0.4 -52,-0.0 2,-0.2 -0.887 79.4-107.4-117.3 156.8 -5.7 -25.4 4.7 90 94 A I - 0 0 81 -2,-0.3 -25,-0.4 -3,-0.1 -24,-0.0 -0.556 17.8-138.0 -82.6 144.2 -4.7 -29.0 4.6 91 95 A L - 0 0 11 -2,-0.2 -25,-0.0 49,-0.1 5,-0.0 -0.900 24.1-141.4 -97.1 108.9 -6.3 -31.6 6.8 92 96 A P >> - 0 0 12 0, 0.0 4,-2.1 0, 0.0 3,-0.7 -0.184 28.1-101.2 -59.8 161.7 -3.5 -33.9 8.1 93 97 A A H 3> S+ 0 0 60 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.845 120.3 60.1 -52.5 -39.4 -4.2 -37.6 8.4 94 98 A A H 34 S+ 0 0 45 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.859 108.8 42.3 -62.9 -37.4 -4.7 -37.3 12.1 95 99 A V H X4 S+ 0 0 0 -3,-0.7 3,-1.3 2,-0.2 -1,-0.2 0.904 111.2 54.4 -74.5 -40.3 -7.6 -34.8 11.8 96 100 A L H 3< S+ 0 0 22 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.868 107.0 55.5 -60.0 -36.9 -9.2 -36.7 8.9 97 101 A A T 3< S+ 0 0 80 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.631 94.9 71.3 -65.9 -26.1 -9.1 -39.7 11.2 98 102 A M S < S+ 0 0 71 -3,-1.3 -2,-0.1 -4,-0.4 -1,-0.1 0.940 71.4 80.4 -67.1 -49.4 -11.0 -38.1 14.1 99 103 A P S > S- 0 0 10 0, 0.0 3,-1.6 0, 0.0 -19,-0.2 -0.257 80.6-122.1 -69.2 146.0 -14.7 -37.6 13.2 100 104 A R T 3 S+ 0 0 167 -21,-1.3 -19,-0.2 1,-0.3 -20,-0.1 0.879 113.5 28.7 -54.3 -45.6 -16.9 -40.6 13.6 101 105 A L T 3 S- 0 0 42 -21,-3.2 -1,-0.3 1,-0.3 -20,-0.1 0.184 112.5-125.4 -97.4 7.1 -18.0 -40.5 9.9 102 106 A G < - 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