==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-JAN-06 2FPO . COMPND 2 MOLECULE: METHYLASE YHHF; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.OSIPIUK,Y.KIM,R.SANISHVILI,T.SKARINA,E.EVDOKIMOVA,A.SAVCHE . 1070 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46931.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 760 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 134 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 12.7 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 . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 90 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 237 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.0 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 6 1 6 3 0 3 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 10 9 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 6 0 0 0 4 6 2 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 . 6 0 0 0 0 4 0 0 0 0 0 0 1 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 10 A G 0 0 76 0, 0.0 16,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 133.1 7.1 -3.4 -1.2 2 11 A Q E -A 16 0A 140 14,-0.3 2,-0.4 16,-0.1 12,-0.0 -0.981 360.0-163.4-125.4 140.6 7.6 -7.2 -1.3 3 12 A I E -A 15 0A 23 12,-2.6 12,-2.5 -2,-0.4 2,-0.5 -0.980 11.1-153.3-115.8 130.8 9.3 -9.4 1.3 4 13 A R E -A 14 0A 111 -2,-0.4 2,-0.6 10,-0.2 10,-0.2 -0.939 9.6-141.4-107.2 128.8 10.4 -12.9 0.2 5 14 A I - 0 0 0 8,-2.2 7,-3.5 -2,-0.5 8,-0.3 -0.787 17.3-169.9 -81.7 116.9 10.6 -15.7 2.8 6 15 A I + 0 0 36 -2,-0.6 2,-0.3 5,-0.2 -1,-0.1 0.613 56.6 28.5 -92.8 -10.3 13.7 -17.6 1.8 7 16 A G S > S+ 0 0 6 3,-0.1 3,-0.6 4,-0.0 51,-0.0 -0.915 88.2 19.7-144.4 170.8 13.4 -20.7 4.0 8 17 A G G > S- 0 0 35 -2,-0.3 3,-1.7 1,-0.2 51,-0.2 -0.252 107.3 -18.3 73.8-152.3 11.1 -23.1 6.0 9 18 A Q G 3 S+ 0 0 91 49,-2.6 -1,-0.2 1,-0.3 50,-0.1 0.780 142.0 39.7 -66.2 -26.4 7.4 -23.9 5.5 10 19 A W G X S+ 0 0 22 -3,-0.6 3,-2.9 45,-0.1 -5,-0.3 0.023 81.4 155.7-108.2 26.9 6.7 -20.6 3.6 11 20 A R T < S+ 0 0 188 -3,-1.7 -5,-0.2 1,-0.3 3,-0.1 -0.300 72.4 14.2 -57.6 128.9 9.9 -20.8 1.6 12 21 A G T 3 S+ 0 0 38 -7,-3.5 -1,-0.3 1,-0.3 2,-0.3 0.356 91.5 137.6 85.2 -6.1 9.3 -18.8 -1.6 13 22 A R < - 0 0 107 -3,-2.9 -8,-2.2 -8,-0.3 2,-0.4 -0.599 44.0-145.4 -75.4 136.3 6.1 -17.2 -0.3 14 23 A K E -A 4 0A 130 -2,-0.3 -10,-0.2 -10,-0.2 -12,-0.0 -0.872 16.5-172.6-107.7 136.0 6.0 -13.4 -1.2 15 24 A L E -A 3 0A 3 -12,-2.5 -12,-2.6 -2,-0.4 2,-0.3 -0.975 24.3-115.0-133.7 141.0 4.3 -10.8 1.1 16 25 A P E -A 2 0A 63 0, 0.0 -14,-0.3 0, 0.0 64,-0.1 -0.550 23.5-173.0 -77.8 132.3 3.5 -7.0 0.7 17 26 A V - 0 0 22 -16,-2.0 3,-0.3 -2,-0.3 32,-0.1 -0.930 32.4-117.2-128.9 112.4 5.3 -4.5 2.9 18 27 A P - 0 0 42 0, 0.0 2,-1.7 0, 0.0 -16,-0.1 0.451 35.3 -69.9 -62.4 177.7 3.8 -1.1 2.4 19 28 A D 0 0 158 -18,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.446 360.0 360.0 -66.6 80.5 5.1 2.3 1.1 20 29 A S 0 0 109 -2,-1.7 267,-0.1 -3,-0.3 200,-0.0 -0.978 360.0 360.0-164.7 360.0 7.6 3.4 3.9 21 ! 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 22 36 A T > 0 0 124 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 169.5 18.2 -8.6 2.2 23 37 A D H > + 0 0 60 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.909 360.0 52.6 -71.9 -44.8 18.4 -12.3 1.4 24 38 A R H > S+ 0 0 184 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.879 109.5 49.8 -65.8 -39.3 22.1 -12.8 2.1 25 39 A V H > S+ 0 0 26 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.970 115.0 42.8 -55.3 -58.6 21.8 -11.3 5.6 26 40 A R H X S+ 0 0 11 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.891 112.7 54.7 -59.9 -40.2 18.8 -13.5 6.5 27 41 A E H X S+ 0 0 95 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.943 111.1 44.1 -57.4 -50.7 20.6 -16.5 4.9 28 42 A T H X S+ 0 0 23 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.931 115.8 47.4 -59.9 -49.2 23.7 -16.0 7.0 29 43 A L H X S+ 0 0 2 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.911 113.9 45.6 -61.1 -46.8 21.7 -15.4 10.3 30 44 A F H X S+ 0 0 1 -4,-2.8 4,-0.6 2,-0.2 -1,-0.2 0.765 108.4 56.3 -77.7 -22.1 19.4 -18.3 9.8 31 45 A N H >< S+ 0 0 102 -4,-1.8 3,-0.8 -5,-0.3 -1,-0.2 0.926 109.5 47.3 -65.9 -44.1 22.2 -20.6 8.9 32 46 A W H 3< S+ 0 0 55 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.842 118.4 42.1 -59.8 -35.4 23.8 -19.5 12.3 33 47 A L H >X S+ 0 0 0 -4,-1.7 3,-2.3 1,-0.2 4,-1.5 0.456 83.3 106.1 -90.4 -4.7 20.4 -20.2 14.0 34 48 A A H < + 0 0 8 -4,-1.5 3,-2.0 -3,-0.3 25,-0.3 0.850 64.5 93.4 -72.7 -35.4 15.4 -22.2 15.6 38 52 A V T 3< S- 0 0 90 -4,-0.5 23,-0.3 1,-0.3 22,-0.1 -0.428 108.6 -3.2 -65.5 124.5 12.9 -25.2 15.8 39 53 A D T 3 S+ 0 0 122 21,-3.0 -1,-0.3 1,-0.2 22,-0.2 0.574 98.4 148.7 67.2 14.7 10.6 -24.5 18.8 40 54 A A < - 0 0 3 -3,-2.0 23,-1.7 16,-0.1 22,-1.3 -0.491 48.7-130.6 -72.3 146.2 12.5 -21.3 19.8 41 55 A Q E -b 63 0B 75 21,-0.2 68,-2.0 20,-0.2 67,-1.3 -0.913 34.2-165.2 -93.8 122.1 10.7 -18.4 21.4 42 56 A C E -bc 64 109B 0 21,-2.8 23,-2.6 -2,-0.6 2,-0.5 -0.857 17.7-166.1-116.7 140.2 11.7 -15.3 19.5 43 57 A L E -bc 65 110B 0 66,-2.4 68,-2.5 -2,-0.4 2,-0.6 -0.990 4.4-163.0-124.5 126.3 11.4 -11.6 20.2 44 58 A D E > -bc 66 111B 1 21,-2.7 23,-3.3 -2,-0.5 3,-0.6 -0.926 2.2-167.7-108.7 109.8 11.9 -9.0 17.4 45 59 A C T 3 S+ 0 0 2 66,-2.2 2,-0.2 -2,-0.6 67,-0.1 0.678 87.1 19.6 -70.4 -25.3 12.5 -5.6 19.1 46 60 A F T 3 S+ 0 0 22 65,-0.3 -1,-0.3 22,-0.1 22,-0.2 -0.685 75.9 174.1-144.5 76.6 12.1 -3.5 15.8 47 61 A A X + 0 0 6 20,-3.0 3,-3.1 -3,-0.6 5,-0.3 0.778 11.4 161.1 -69.7 -28.8 10.2 -5.9 13.6 48 62 A G T 3 S+ 0 0 23 19,-0.3 -1,-0.2 1,-0.3 29,-0.1 -0.213 77.7 5.7 52.0-117.7 9.6 -3.4 10.7 49 63 A S T 3 S- 0 0 46 1,-0.1 -1,-0.3 -32,-0.1 -2,-0.1 0.663 99.5-121.6 -67.0 -15.5 8.8 -5.5 7.6 50 64 A G <> + 0 0 0 -3,-3.1 4,-3.3 -4,-0.1 5,-0.5 0.498 68.4 140.1 80.9 4.8 8.8 -8.6 9.7 51 65 A A H > S+ 0 0 16 -4,-0.3 4,-1.8 1,-0.2 5,-0.2 0.911 75.5 38.5 -43.9 -49.3 11.5 -10.1 7.5 52 66 A L H > S+ 0 0 17 -5,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.957 119.4 43.3 -71.4 -52.7 13.3 -11.6 10.6 53 67 A G H > S+ 0 0 0 -6,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.888 116.2 49.2 -59.7 -40.9 10.2 -12.6 12.7 54 68 A L H X S+ 0 0 0 -4,-3.3 4,-2.1 2,-0.2 -1,-0.2 0.880 109.9 49.0 -67.9 -42.5 8.5 -14.1 9.6 55 69 A E H X S+ 0 0 0 -4,-1.8 4,-1.8 -5,-0.5 -1,-0.2 0.904 110.7 53.8 -61.4 -39.8 11.5 -16.1 8.5 56 70 A A H <>S+ 0 0 0 -4,-2.2 5,-1.9 1,-0.2 -2,-0.2 0.952 110.1 45.8 -60.4 -47.8 11.8 -17.4 12.2 57 71 A L H ><5S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.860 108.9 56.0 -62.4 -37.9 8.2 -18.6 12.1 58 72 A S H 3<5S+ 0 0 0 -4,-2.1 -49,-2.6 1,-0.3 -1,-0.2 0.911 103.5 54.7 -59.0 -40.8 8.6 -20.2 8.8 59 73 A R T 3<5S- 0 0 42 -4,-1.8 -1,-0.3 -51,-0.2 -2,-0.2 0.056 129.7 -94.2 -89.7 23.7 11.5 -22.2 10.1 60 74 A Y T < 5 + 0 0 123 -3,-1.4 -21,-3.0 1,-0.2 -3,-0.2 0.708 58.5 172.7 71.8 29.6 9.3 -23.6 12.9 61 75 A A < - 0 0 3 -5,-1.9 -1,-0.2 -23,-0.3 -20,-0.2 -0.392 37.2-130.3 -46.5 140.8 10.0 -21.2 15.8 62 76 A A S S- 0 0 43 -22,-1.3 2,-0.3 1,-0.3 -21,-0.2 0.876 79.5 -15.6 -66.9 -40.3 7.5 -22.1 18.5 63 77 A G E -b 41 0B 4 -23,-1.7 -21,-2.8 2,-0.0 2,-0.3 -0.992 55.4-154.6-163.4 160.2 6.5 -18.4 18.8 64 78 A A E -bd 42 89B 3 24,-1.1 26,-1.8 -2,-0.3 2,-0.6 -0.968 4.9-160.0-144.7 125.4 7.4 -14.8 18.0 65 79 A T E -bd 43 90B 9 -23,-2.6 -21,-2.7 -2,-0.3 2,-0.6 -0.929 19.9-160.2-101.7 123.9 6.5 -11.6 19.7 66 80 A L E -bd 44 91B 1 24,-2.6 26,-2.5 -2,-0.6 2,-0.4 -0.936 2.9-161.5-116.5 116.5 7.1 -8.8 17.2 67 81 A I E + d 0 92B 1 -23,-3.3 -20,-3.0 -2,-0.6 2,-0.4 -0.834 15.9 168.2-105.6 128.1 7.5 -5.2 18.4 68 82 A E - 0 0 25 24,-2.7 26,-0.4 -2,-0.4 27,-0.1 -0.943 27.5-161.5-149.2 122.3 7.0 -2.3 16.0 69 83 A X S S+ 0 0 8 -2,-0.4 2,-0.5 24,-0.2 26,-0.2 0.812 72.7 85.6 -69.8 -36.8 6.7 1.5 16.7 70 84 A D > - 0 0 7 1,-0.2 4,-3.1 24,-0.1 5,-0.2 -0.590 65.0-156.0 -76.7 117.9 5.1 2.4 13.3 71 85 A R H > S+ 0 0 37 171,-2.9 4,-2.2 -2,-0.5 -1,-0.2 0.906 93.9 48.0 -60.5 -46.4 1.3 1.9 13.5 72 86 A A H > S+ 0 0 21 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.906 115.5 45.1 -59.6 -42.4 0.9 1.4 9.7 73 87 A V H > S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.917 111.2 52.2 -70.1 -44.0 3.8 -1.1 9.6 74 88 A S H X S+ 0 0 4 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.887 109.3 52.5 -57.0 -42.9 2.5 -3.0 12.7 75 89 A Q H X S+ 0 0 96 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.883 109.3 47.0 -60.9 -42.1 -0.9 -3.3 10.9 76 90 A Q H X S+ 0 0 35 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.893 108.6 56.0 -70.3 -39.0 0.5 -4.8 7.7 77 91 A L H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.927 106.6 49.8 -53.2 -49.4 2.6 -7.2 9.7 78 92 A I H X S+ 0 0 90 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.879 110.7 50.5 -57.5 -45.1 -0.7 -8.4 11.4 79 93 A K H X S+ 0 0 121 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.913 109.1 50.9 -58.9 -44.6 -2.3 -8.8 7.9 80 94 A N H X S+ 0 0 2 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.880 108.2 52.1 -66.5 -36.0 0.7 -10.8 6.7 81 95 A L H <>S+ 0 0 11 -4,-2.3 5,-2.8 2,-0.2 4,-0.5 0.854 108.3 51.8 -62.8 -36.0 0.5 -13.1 9.7 82 96 A A H ><5S+ 0 0 73 -4,-1.6 3,-0.9 3,-0.2 -2,-0.2 0.926 107.7 52.1 -67.6 -43.4 -3.2 -13.7 8.9 83 97 A T H 3<5S+ 0 0 81 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.900 112.7 44.6 -52.1 -46.7 -2.3 -14.6 5.2 84 98 A L T 3<5S- 0 0 8 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.513 109.1-126.9 -79.3 -8.0 0.2 -17.1 6.4 85 99 A K T < 5 + 0 0 189 -3,-0.9 2,-1.1 -4,-0.5 -3,-0.2 0.838 50.2 163.6 61.9 36.8 -2.2 -18.4 9.1 86 100 A A < + 0 0 11 -5,-2.8 3,-0.2 1,-0.2 -1,-0.2 -0.746 12.3 163.0 -94.5 97.5 0.4 -17.9 11.7 87 101 A G + 0 0 73 -2,-1.1 2,-0.9 1,-0.2 -1,-0.2 0.644 60.9 80.4 -83.0 -20.3 -1.4 -18.0 15.0 88 102 A N S S+ 0 0 66 -3,-0.1 -24,-1.1 -27,-0.1 2,-0.3 -0.239 88.4 65.8 -85.9 44.5 1.8 -18.5 17.0 89 103 A A E -d 64 0B 25 -2,-0.9 2,-0.3 -3,-0.2 -24,-0.2 -0.975 57.5-163.1-158.2 157.7 2.8 -14.8 16.9 90 104 A R E -d 65 0B 152 -26,-1.8 -24,-2.6 -2,-0.3 2,-0.5 -0.980 12.3-141.7-144.6 157.2 1.6 -11.4 18.1 91 105 A V E -d 66 0B 29 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.987 10.3-163.9-124.2 130.2 2.4 -7.9 17.1 92 106 A V E -d 67 0B 41 -26,-2.5 -24,-2.7 -2,-0.5 2,-1.4 -0.960 14.9-143.4-115.8 125.1 2.7 -5.2 19.7 93 107 A N + 0 0 57 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.2 -0.677 59.1 111.5 -88.1 89.9 2.6 -1.6 18.4 94 108 A S S S- 0 0 16 -2,-1.4 2,-0.2 -26,-0.4 174,-0.2 -0.992 71.5-104.6-154.2 151.8 5.1 0.0 20.7 95 109 A N > - 0 0 10 172,-1.0 4,-1.9 174,-0.4 5,-0.1 -0.540 39.1-119.5 -70.4 153.7 8.5 1.6 20.8 96 110 A A H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.828 106.5 59.2 -68.9 -33.0 11.1 -0.8 22.2 97 111 A X H > S+ 0 0 60 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.908 112.4 38.2 -65.5 -45.4 12.2 1.4 25.2 98 112 A S H 4 S+ 0 0 70 2,-0.2 3,-0.2 1,-0.2 -1,-0.2 0.878 118.0 51.7 -67.2 -44.1 8.7 1.5 26.7 99 113 A F H < S+ 0 0 28 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.903 112.3 42.1 -61.5 -45.9 8.0 -2.1 25.8 100 114 A L H < S+ 0 0 1 -4,-2.7 2,-1.7 1,-0.2 -1,-0.2 0.601 91.9 88.7 -81.0 -13.6 11.1 -3.6 27.4 101 115 A A S < S+ 0 0 60 -4,-0.7 2,-0.3 -3,-0.2 -1,-0.2 -0.442 81.3 66.8 -85.7 62.9 11.0 -1.4 30.5 102 116 A Q S S- 0 0 99 -2,-1.7 2,-0.4 25,-0.1 -3,-0.0 -0.936 105.8 -62.2-161.7 168.8 8.7 -3.9 32.4 103 117 A K - 0 0 191 -2,-0.3 29,-0.2 1,-0.1 28,-0.1 -0.500 67.1-158.7 -60.5 117.0 9.0 -7.4 33.8 104 118 A G - 0 0 19 27,-3.4 29,-0.1 -2,-0.4 -1,-0.1 -0.122 15.4-118.6 -92.9-173.6 9.7 -9.5 30.7 105 119 A T - 0 0 80 28,-0.1 2,-0.1 -2,-0.0 30,-0.1 -0.977 39.5 -99.7-128.4 137.7 9.4 -13.1 29.7 106 120 A P - 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