==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-JAN-13 4IQF . COMPND 2 MOLECULE: METHIONYL-TRNA FORMYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR Y.KIM,M.MAKOWSKA-GRZYSKA,K.KWON,W.F.ANDERSON,A.JOACHIMIAK,CE . 1258 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59583.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 862 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 208 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 102 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 122 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 246 19.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 1.8 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 6 1 1 7 2 5 7 0 0 0 0 0 0 0 0 0 0 0 0 0 3 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 4 2 2 8 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 . 11 6 8 6 3 0 4 0 4 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 . 3 0 0 0 0 2 6 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 67 0, 0.0 2,-0.3 0, 0.0 180,-0.0 0.000 360.0 360.0 360.0 -77.3 27.5 110.5 62.7 2 -1 A N > - 0 0 86 1,-0.1 3,-0.8 3,-0.0 27,-0.5 -0.914 360.0-145.5-124.0 149.5 26.9 114.3 62.2 3 0 A A T 3 S+ 0 0 62 -2,-0.3 -1,-0.1 25,-0.2 25,-0.1 0.470 98.2 78.4 -81.6 -4.2 26.3 116.6 59.3 4 1 A X T 3 S+ 0 0 149 1,-0.1 2,-0.8 2,-0.1 -1,-0.2 0.631 76.0 86.5 -76.5 -14.4 28.3 119.1 61.4 5 2 A I < - 0 0 15 -3,-0.8 24,-1.9 22,-0.1 2,-0.4 -0.790 69.8-152.5 -95.7 107.1 31.5 117.3 60.2 6 3 A K E -a 29 0A 49 -2,-0.8 78,-2.0 76,-0.1 79,-1.4 -0.644 21.1-171.7 -74.3 127.6 32.8 118.5 56.9 7 4 A V E -ab 30 85A 0 22,-3.1 24,-1.5 -2,-0.4 25,-1.0 -0.975 20.1-162.0-128.8 135.2 34.7 115.7 55.1 8 5 A V E -ab 32 86A 0 77,-2.1 79,-2.1 -2,-0.4 2,-0.4 -0.971 15.9-158.8-110.2 128.9 36.9 115.6 52.0 9 6 A F E -ab 33 87A 0 23,-1.9 25,-3.0 -2,-0.5 2,-0.5 -0.886 5.5-165.2-109.8 137.8 37.5 112.1 50.6 10 7 A X E +ab 34 88A 0 77,-2.5 79,-2.2 -2,-0.4 2,-0.3 -0.965 32.4 118.5-125.6 117.3 40.3 111.1 48.3 11 8 A G E - b 0 89A 0 23,-1.8 80,-0.2 -2,-0.5 79,-0.2 -0.979 33.5-165.6-168.8 160.2 40.2 107.9 46.3 12 9 A T + 0 0 2 78,-1.0 40,-1.6 77,-0.5 41,-0.3 0.746 59.5 49.5-120.7 -59.9 40.3 106.5 42.8 13 10 A P S >> S- 0 0 44 0, 0.0 3,-1.4 0, 0.0 4,-0.6 -0.033 92.5 -83.7 -88.9-171.2 39.3 102.8 42.1 14 11 A D T 34 S+ 0 0 119 1,-0.3 3,-0.5 2,-0.2 76,-0.0 0.740 120.5 69.5 -58.9 -27.8 36.4 100.5 43.1 15 12 A F T 3> S+ 0 0 15 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.855 100.5 46.7 -58.2 -36.4 38.2 99.8 46.4 16 13 A S H <> S+ 0 0 0 -3,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.673 93.4 80.0 -84.2 -18.8 37.5 103.4 47.6 17 14 A V H X S+ 0 0 25 -4,-0.6 4,-3.1 -3,-0.5 5,-0.2 0.898 92.4 45.6 -61.7 -47.4 33.8 103.5 46.6 18 15 A P H > S+ 0 0 26 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.883 112.3 54.9 -63.3 -33.6 32.3 101.6 49.5 19 16 A V H X S+ 0 0 0 -4,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.953 113.7 39.6 -59.4 -52.2 34.5 103.7 51.8 20 17 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.909 115.3 52.8 -62.3 -45.8 33.1 106.9 50.3 21 18 A R H X S+ 0 0 67 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.915 108.9 48.6 -59.1 -46.1 29.6 105.5 50.1 22 19 A R H X S+ 0 0 69 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.870 108.0 55.4 -63.4 -38.4 29.5 104.5 53.8 23 20 A L H <>S+ 0 0 1 -4,-1.7 5,-1.2 -5,-0.2 4,-0.4 0.918 112.2 43.9 -56.5 -45.8 30.8 108.0 54.7 24 21 A I H ><5S+ 0 0 34 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.955 111.9 50.1 -65.9 -53.0 27.8 109.5 52.9 25 22 A E H 3<5S+ 0 0 58 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.718 102.1 65.7 -59.5 -22.0 25.2 107.1 54.2 26 23 A D T 3<5S- 0 0 32 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.673 115.9-113.7 -75.2 -18.4 26.6 107.8 57.7 27 24 A G T < 5 + 0 0 37 -3,-2.0 -3,-0.2 -4,-0.4 -22,-0.1 0.412 63.8 148.2 100.8 -1.2 25.4 111.4 57.4 28 25 A Y < - 0 0 10 -5,-1.2 2,-1.3 1,-0.1 -1,-0.3 -0.324 57.3-109.8 -63.5 149.0 28.8 113.2 57.3 29 26 A D E -a 6 0A 62 -24,-1.9 -22,-3.1 -27,-0.5 2,-1.0 -0.667 32.9-166.2 -86.0 90.9 29.0 116.3 55.3 30 27 A V E +a 7 0A 15 -2,-1.3 -22,-0.2 -24,-0.2 -24,-0.1 -0.681 12.3 174.2 -80.6 103.1 31.1 115.3 52.3 31 28 A I E + 0 0 8 -24,-1.5 2,-0.3 -2,-1.0 -23,-0.2 0.649 59.7 5.9 -87.7 -18.6 32.0 118.7 50.8 32 29 A G E -a 8 0A 1 -25,-1.0 -23,-1.9 29,-0.1 2,-0.4 -0.990 55.0-146.3-163.7 155.1 34.4 117.5 48.2 33 30 A V E -ac 9 63A 0 29,-2.3 31,-3.3 -2,-0.3 2,-0.6 -0.994 9.1-160.2-130.8 128.8 36.0 114.5 46.5 34 31 A V E +ac 10 64A 0 -25,-3.0 -23,-1.8 -2,-0.4 2,-0.3 -0.934 22.5 161.7-111.1 120.4 39.5 114.2 45.1 35 32 A T - 0 0 0 29,-2.5 -23,-0.2 -2,-0.6 3,-0.1 -0.864 40.9 -93.9-130.7 163.9 40.2 111.5 42.6 36 33 A Q - 0 0 34 -2,-0.3 14,-0.3 1,-0.1 31,-0.1 -0.339 54.8 -85.8 -69.5 157.9 42.9 110.7 40.0 37 34 A P - 0 0 49 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.315 62.6 -82.7 -56.6 152.3 42.4 111.9 36.4 38 35 A D - 0 0 50 27,-0.1 9,-0.1 -3,-0.1 27,-0.0 -0.413 52.2-167.1 -67.7 128.7 40.5 109.3 34.3 39 36 A R - 0 0 117 9,-0.4 9,-0.6 -2,-0.2 7,-0.1 -0.869 29.9 -86.3-119.0 151.1 42.6 106.5 33.0 40 37 A P E -H 47 0B 61 0, 0.0 2,-0.3 0, 0.0 7,-0.3 -0.199 47.7-170.9 -56.9 140.8 41.9 103.8 30.3 41 38 A V E > +H 46 0B 64 5,-2.4 5,-2.8 3,-0.0 4,-0.2 -0.934 32.5 14.9-133.2 155.7 40.1 100.6 31.5 42 39 A G T 5S- 0 0 52 -2,-0.3 3,-0.4 3,-0.2 0, 0.0 -0.146 98.7 -49.8 87.5-176.1 39.2 97.2 30.1 43 40 A R T 5S+ 0 0 217 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.867 140.4 46.0 -61.8 -37.7 40.2 95.1 27.1 44 41 A K T 5S- 0 0 186 -3,-0.2 -1,-0.2 2,-0.0 -2,-0.2 0.559 106.6-129.4 -83.9 -10.0 39.6 98.1 24.9 45 42 A K T 5 - 0 0 134 -3,-0.4 2,-0.3 -4,-0.2 -3,-0.2 0.967 40.5-178.5 55.1 58.5 41.5 100.5 27.2 46 43 A V E < -H 41 0B 69 -5,-2.8 -5,-2.4 -6,-0.1 2,-0.3 -0.703 31.9-113.8 -92.2 137.2 38.6 103.0 27.3 47 44 A L E +H 40 0B 126 -2,-0.3 -9,-0.0 -7,-0.3 -1,-0.0 -0.528 46.9 174.9 -66.2 130.1 38.8 106.3 29.1 48 45 A T - 0 0 51 -9,-0.6 -9,-0.4 -2,-0.3 2,-0.1 -0.999 39.8 -98.6-145.5 137.4 36.3 106.1 31.9 49 46 A P - 0 0 57 0, 0.0 5,-0.1 0, 0.0 -11,-0.0 -0.395 57.6-101.4 -51.5 127.6 35.2 108.3 34.9 50 47 A T > - 0 0 4 -14,-0.3 4,-2.8 1,-0.1 3,-0.2 -0.200 29.4-110.3 -55.9 146.1 37.0 106.8 37.9 51 48 A P H > S+ 0 0 40 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.783 121.6 46.8 -47.6 -34.8 34.8 104.6 40.2 52 49 A V H > S+ 0 0 0 -40,-1.6 4,-2.9 2,-0.2 5,-0.2 0.872 109.5 52.9 -77.2 -39.5 34.9 107.2 42.9 53 50 A K H > S+ 0 0 29 -41,-0.3 4,-2.5 -3,-0.2 5,-0.2 0.920 110.5 48.8 -58.7 -45.2 34.2 110.0 40.5 54 51 A V H X S+ 0 0 28 -4,-2.8 4,-0.7 2,-0.2 -2,-0.2 0.939 113.9 44.7 -60.4 -49.5 31.1 108.1 39.3 55 52 A E H >X S+ 0 0 5 -4,-1.8 4,-0.6 -5,-0.2 3,-0.6 0.895 114.1 50.5 -62.3 -41.2 29.9 107.5 42.9 56 53 A A H >X>S+ 0 0 0 -4,-2.9 5,-1.8 1,-0.2 3,-1.4 0.915 107.5 51.2 -64.3 -45.2 30.6 111.1 43.9 57 54 A E H 3<5S+ 0 0 46 -4,-2.5 719,-1.4 1,-0.3 -1,-0.2 0.585 97.7 68.3 -74.4 -9.3 28.7 112.7 41.0 58 55 A K H <<5S+ 0 0 48 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.767 108.0 39.0 -72.4 -26.9 25.7 110.5 41.7 59 56 A H H <<5S- 0 0 61 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.2 0.503 116.7-112.6 -99.6 -8.6 25.3 112.6 44.9 60 57 A G T <5 + 0 0 16 -4,-0.6 -3,-0.2 1,-0.3 691,-0.1 0.862 62.3 153.6 75.5 36.6 26.3 115.9 43.3 61 58 A I < - 0 0 18 -5,-1.8 -1,-0.3 775,-0.1 -2,-0.1 -0.888 50.4-110.2 -98.9 125.9 29.5 116.2 45.3 62 59 A P - 0 0 43 0, 0.0 -29,-2.3 0, 0.0 2,-0.6 -0.280 31.5-145.1 -58.7 133.3 32.2 118.3 43.5 63 60 A V E -c 33 0A 28 -31,-0.2 2,-0.5 -29,-0.1 -29,-0.2 -0.900 8.5-160.1-111.2 119.3 35.1 116.3 42.2 64 61 A L E +c 34 0A 40 -31,-3.3 -29,-2.5 -2,-0.6 10,-0.0 -0.826 10.5 179.1 -91.8 129.7 38.6 117.6 42.1 65 62 A Q + 0 0 70 -2,-0.5 -29,-0.1 -31,-0.2 2,-0.1 -0.565 10.4 172.9-131.2 70.9 40.9 115.7 39.7 66 63 A P - 0 0 8 0, 0.0 3,-0.3 0, 0.0 -2,-0.0 -0.437 38.0-133.5 -79.1 151.6 44.4 117.3 39.8 67 64 A L S S+ 0 0 109 1,-0.3 2,-0.4 -31,-0.1 -31,-0.0 0.938 101.4 8.3 -64.5 -46.9 47.4 115.8 38.0 68 65 A R > - 0 0 119 1,-0.1 3,-1.3 25,-0.1 -1,-0.3 -0.923 61.5-165.6-140.2 112.7 49.4 116.3 41.2 69 66 A I T 3 S+ 0 0 1 -2,-0.4 6,-0.3 -3,-0.3 9,-0.1 0.701 83.8 78.6 -68.5 -18.5 47.7 117.4 44.4 70 67 A R T 3 S+ 0 0 143 4,-0.1 2,-0.3 25,-0.1 -1,-0.3 0.444 77.3 95.5 -72.2 1.9 51.1 118.2 45.9 71 68 A E S X> S- 0 0 83 -3,-1.3 4,-2.8 1,-0.1 3,-0.6 -0.743 81.9-121.9 -99.8 147.1 51.1 121.4 43.8 72 69 A K H 3> S+ 0 0 105 -2,-0.3 4,-2.1 1,-0.3 5,-0.2 0.886 108.0 49.4 -52.4 -56.6 50.0 124.8 45.3 73 70 A D H 3> S+ 0 0 130 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.829 117.4 44.0 -53.6 -35.0 47.2 125.7 42.9 74 71 A E H X> S+ 0 0 39 -3,-0.6 4,-1.0 -6,-0.2 3,-0.6 0.926 114.3 44.4 -80.5 -48.0 45.7 122.2 43.4 75 72 A Y H 3X S+ 0 0 9 -4,-2.8 4,-2.4 -6,-0.3 -2,-0.2 0.720 104.7 64.2 -74.8 -18.2 46.0 121.8 47.1 76 73 A E H 3X S+ 0 0 81 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.820 96.4 58.9 -69.3 -31.5 44.7 125.3 47.7 77 74 A K H < S+ 0 0 43 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.810 102.6 60.4 -61.3 -30.2 42.3 124.0 51.6 80 77 A A H 3< S+ 0 0 76 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.876 95.2 60.0 -65.4 -39.1 39.5 126.3 50.5 81 78 A L H 3< S- 0 0 47 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.702 94.9-147.7 -64.0 -19.6 36.8 123.7 51.3 82 79 A E << - 0 0 140 -3,-0.7 -76,-0.1 -4,-0.6 2,-0.1 0.934 19.3-166.6 49.5 60.7 38.0 123.8 54.9 83 80 A P - 0 0 10 0, 0.0 21,-0.4 0, 0.0 -76,-0.2 -0.470 23.1-149.7 -76.7 148.4 37.3 120.1 55.8 84 81 A D S S+ 0 0 39 -78,-2.0 21,-3.0 1,-0.3 2,-0.3 0.632 86.1 20.5 -87.4 -16.7 37.3 119.0 59.4 85 82 A L E -b 7 0A 0 -79,-1.4 -77,-2.1 19,-0.2 2,-0.5 -0.987 65.1-155.6-151.6 140.7 38.5 115.6 58.4 86 83 A I E -bd 8 107A 1 20,-1.6 22,-2.8 -2,-0.3 2,-0.4 -0.981 12.5-172.6-120.3 124.2 40.2 114.1 55.4 87 84 A V E -bd 9 108A 0 -79,-2.1 -77,-2.5 -2,-0.5 2,-0.4 -0.941 2.4-173.4-115.2 136.0 39.8 110.4 54.5 88 85 A T E +bd 10 109A 1 20,-2.2 22,-2.2 -2,-0.4 2,-0.3 -0.965 9.5 176.4-127.0 148.3 41.7 108.6 51.8 89 86 A A E S-b 11 0A 0 -79,-2.2 -77,-0.5 -2,-0.4 -73,-0.1 -0.899 76.6 -14.1-149.9 119.1 41.4 105.1 50.4 90 87 A A S S+ 0 0 43 20,-0.4 -78,-1.0 -2,-0.3 2,-0.7 0.901 83.1 159.4 54.1 45.1 43.5 103.8 47.5 91 88 A F - 0 0 23 -80,-0.2 2,-0.6 -81,-0.2 -1,-0.2 -0.887 27.7-160.9-101.1 109.9 44.5 107.4 46.6 92 89 A G + 0 0 62 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.1 -0.126 56.0 90.3 -90.0 38.9 47.7 107.2 44.5 93 90 A Q S S- 0 0 26 -2,-0.6 2,-0.7 -25,-0.0 -2,-0.1 -0.934 81.7-102.5-129.6 157.4 49.0 110.7 44.9 94 91 A I - 0 0 99 -2,-0.3 -24,-0.1 1,-0.0 -2,-0.1 -0.677 31.6-146.3 -80.9 112.7 51.3 112.4 47.3 95 92 A V - 0 0 16 -2,-0.7 -25,-0.1 48,-0.2 5,-0.0 -0.711 22.7-126.7 -83.1 116.7 49.3 114.4 49.8 96 93 A P > - 0 0 9 0, 0.0 4,-2.3 0, 0.0 3,-0.4 -0.115 15.6-114.1 -63.6 156.6 51.3 117.5 50.8 97 94 A N H > S+ 0 0 57 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.809 115.7 64.2 -57.2 -32.4 52.1 118.5 54.3 98 95 A E H 4 S+ 0 0 84 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.927 108.7 37.5 -59.4 -48.1 49.9 121.6 53.8 99 96 A I H >4 S+ 0 0 0 -3,-0.4 3,-0.5 2,-0.2 -2,-0.2 0.876 115.8 55.7 -69.6 -38.7 46.8 119.4 53.3 100 97 A L H 3< S+ 0 0 21 -4,-2.3 7,-0.3 1,-0.2 -2,-0.2 0.905 112.2 40.2 -60.8 -44.8 48.0 117.0 56.0 101 98 A E T 3< S+ 0 0 151 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.549 103.8 79.9 -81.4 -7.9 48.4 119.7 58.7 102 99 A A S < S+ 0 0 52 -3,-0.5 -2,-0.2 -4,-0.5 -1,-0.2 0.967 70.5 72.5 -69.6 -59.6 45.2 121.4 57.6 103 100 A P S > S- 0 0 11 0, 0.0 3,-0.7 0, 0.0 -19,-0.2 -0.182 73.4-128.0 -73.9 157.4 42.1 119.6 59.0 104 101 A K T 3 S+ 0 0 62 -21,-0.4 -19,-0.2 1,-0.2 -20,-0.1 0.874 107.2 35.7 -64.9 -42.8 41.0 119.7 62.6 105 102 A Y T 3 S- 0 0 23 -21,-3.0 -1,-0.2 1,-0.3 -20,-0.1 0.216 114.8-114.6-102.7 14.5 40.7 115.9 63.1 106 103 A G < - 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