==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METHYLTRANSFERASE 05-JAN-99 3MCT . COMPND 2 MOLECULE: VP39; . SOURCE 2 ORGANISM_SCIENTIFIC: VACCINIA VIRUS; . AUTHOR G.HU,P.D.GERSHON,A.E.HODEL,F.A.QUIOCHO . 292 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 6.8 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 . 19 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 0 0 0 0 1 1 1 0 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 3 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 . 2 0 1 1 0 1 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 . 1 1 0 0 0 0 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 1 A M 0 0 201 0, 0.0 2,-1.0 0, 0.0 240,-0.1 0.000 360.0 360.0 360.0 154.4 20.2 30.4 41.3 2 2 A D + 0 0 73 238,-0.2 240,-2.6 2,-0.0 2,-0.2 -0.621 360.0 176.3 -97.7 76.5 19.7 30.8 37.5 3 3 A V E +a 242 0A 76 -2,-1.0 2,-0.3 238,-0.2 240,-0.2 -0.538 7.5 154.0 -92.7 148.2 18.1 34.3 37.4 4 4 A V E -a 243 0A 45 238,-2.8 240,-1.3 -2,-0.2 241,-0.7 -0.978 36.7-120.3-161.0 161.8 17.1 36.5 34.4 5 5 A S + 0 0 85 -2,-0.3 2,-0.4 238,-0.2 238,-0.1 -0.961 32.6 179.2-111.2 129.5 14.8 39.3 33.1 6 6 A L - 0 0 39 -2,-0.5 239,-0.0 1,-0.1 -2,-0.0 -0.987 28.0-157.0-134.1 142.9 12.5 38.5 30.1 7 7 A D S S- 0 0 138 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.922 82.8 -16.4 -78.9 -50.0 10.0 40.6 28.2 8 8 A K S S- 0 0 121 252,-0.0 -1,-0.3 0, 0.0 2,-0.1 -0.925 74.5-105.6-148.8 162.5 8.0 37.6 26.9 9 9 A P - 0 0 1 0, 0.0 2,-0.7 0, 0.0 245,-0.0 -0.407 46.8 -86.0 -88.0 173.3 8.6 33.9 26.5 10 10 A F + 0 0 25 1,-0.2 3,-0.1 -2,-0.1 6,-0.0 -0.750 48.9 177.4 -77.6 113.9 9.4 32.1 23.3 11 11 A M + 0 0 27 -2,-0.7 181,-2.4 1,-0.2 2,-0.3 0.779 61.6 25.8 -87.8 -36.1 5.9 31.4 22.1 12 12 A Y B >> S-C 191 0B 47 179,-0.2 3,-1.8 1,-0.1 4,-0.6 -0.925 83.4-107.6-131.0 156.9 6.7 29.7 18.7 13 13 A F G >4 S+ 0 0 15 177,-2.0 3,-1.6 -2,-0.3 -1,-0.1 0.861 114.3 59.4 -47.5 -46.8 9.7 27.7 17.3 14 14 A E G 34 S+ 0 0 109 1,-0.3 -1,-0.3 176,-0.1 -4,-0.0 0.703 95.8 64.0 -59.1 -24.4 10.8 30.6 15.1 15 15 A E G <4 S+ 0 0 83 -3,-1.8 2,-0.3 2,-0.0 -1,-0.3 0.763 71.0 108.3 -74.0 -27.0 11.3 32.8 18.0 16 16 A I << - 0 0 5 -3,-1.6 215,-0.1 -4,-0.6 214,-0.0 -0.366 52.5-168.4 -56.5 114.7 14.1 30.7 19.6 17 17 A D + 0 0 108 -2,-0.3 2,-0.3 213,-0.1 -1,-0.2 0.106 56.4 34.6 -97.4 19.9 17.1 32.9 19.0 18 18 A N - 0 0 84 212,-0.1 2,-0.3 2,-0.0 215,-0.2 -0.969 60.5-152.1-161.1 171.2 20.0 30.6 19.8 19 19 A E - 0 0 84 -2,-0.3 2,-0.3 214,-0.1 211,-0.2 -0.979 1.2-157.5-151.0 161.0 21.1 27.0 19.6 20 20 A L - 0 0 54 209,-2.0 212,-0.2 -2,-0.3 213,-0.2 -0.996 34.5 -98.7-143.5 145.1 23.3 24.5 21.3 21 21 A D - 0 0 110 -2,-0.3 2,-0.2 1,-0.1 208,-0.0 -0.414 51.4-110.2 -63.5 129.1 25.0 21.2 20.3 22 22 A Y - 0 0 86 -2,-0.1 -1,-0.1 1,-0.1 207,-0.1 -0.472 25.2-151.1 -65.8 131.0 22.8 18.5 21.7 23 23 A E > - 0 0 70 -2,-0.2 3,-2.2 1,-0.1 4,-0.2 -0.905 4.0-153.6-106.0 109.6 24.3 16.5 24.6 24 24 A P G > S+ 0 0 76 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.710 90.2 74.1 -55.4 -18.2 23.0 12.9 24.6 25 25 A E G > S+ 0 0 121 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.775 79.3 73.3 -65.9 -26.8 23.7 12.8 28.3 26 26 A S G X S+ 0 0 1 -3,-2.2 3,-1.2 1,-0.3 -1,-0.3 0.682 81.3 71.6 -60.5 -22.5 20.6 15.0 28.8 27 27 A A G < S+ 0 0 67 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.681 92.9 56.4 -68.4 -19.2 18.4 12.0 28.0 28 28 A N G < S+ 0 0 155 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.454 90.4 101.4 -90.3 -4.5 19.4 10.6 31.4 29 29 A E S < S- 0 0 101 -3,-1.2 170,-0.1 -4,-0.2 2,-0.1 -0.460 91.8 -74.8 -85.0 155.4 18.1 13.6 33.3 30 30 A V - 0 0 113 1,-0.2 -1,-0.1 -2,-0.1 168,-0.1 -0.253 42.9-167.9 -50.8 115.2 14.8 14.0 35.2 31 31 A A + 0 0 51 1,-0.2 167,-2.1 166,-0.1 2,-0.4 0.758 65.6 31.1 -79.5 -30.7 12.1 14.4 32.5 32 32 A K + 0 0 110 165,-0.2 -1,-0.2 1,-0.1 164,-0.0 -0.993 43.0 175.7-141.0 142.8 9.3 15.5 34.8 33 33 A K + 0 0 110 -2,-0.4 -1,-0.1 -3,-0.1 -2,-0.0 0.612 68.3 60.9-112.2 -18.8 8.9 17.4 38.0 34 34 A L S > S- 0 0 24 161,-0.1 3,-1.3 257,-0.0 4,-0.2 -0.850 83.7-109.8-116.7 145.1 5.1 17.6 38.4 35 35 A P T 3 S+ 0 0 55 0, 0.0 -2,-0.1 0, 0.0 254,-0.0 -0.487 106.5 9.1 -69.7 145.1 2.5 14.9 38.9 36 36 A Y T >> S+ 0 0 116 -2,-0.1 4,-1.9 1,-0.1 3,-0.6 0.766 82.4 153.6 55.4 32.3 0.2 14.6 35.8 37 37 A Q H <> + 0 0 5 -3,-1.3 4,-2.7 1,-0.3 5,-0.1 0.818 67.1 57.7 -59.0 -33.1 2.6 17.0 34.0 38 38 A G H 3> S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.862 105.5 48.6 -66.1 -38.6 1.6 15.5 30.6 39 39 A Q H <> S+ 0 0 27 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.896 112.9 48.9 -68.7 -37.8 -2.1 16.3 31.2 40 40 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.920 108.5 53.0 -65.0 -46.6 -1.1 19.8 32.2 41 41 A K H X S+ 0 0 23 -4,-2.7 4,-1.7 154,-0.3 -2,-0.2 0.950 115.3 41.1 -52.9 -52.6 1.1 20.2 29.0 42 42 A L H X S+ 0 0 8 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.876 111.5 55.1 -64.2 -45.2 -1.8 19.2 26.8 43 43 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.912 109.3 47.2 -58.7 -42.3 -4.5 21.1 28.7 44 44 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.922 114.6 45.5 -65.8 -46.0 -2.5 24.4 28.3 45 45 A G H X S+ 0 0 4 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.889 115.0 46.2 -63.3 -46.0 -1.8 23.9 24.6 46 46 A E H X S+ 0 0 4 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.821 112.3 51.1 -68.8 -31.0 -5.4 22.9 23.7 47 47 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.918 111.7 48.9 -70.1 -41.4 -6.8 25.8 25.8 48 48 A F H X S+ 0 0 9 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.974 114.3 44.5 -59.0 -55.7 -4.5 28.1 23.9 49 49 A F H X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 3,-0.2 0.926 115.5 46.1 -54.6 -54.9 -5.5 26.8 20.5 50 50 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.805 108.2 55.5 -62.6 -33.9 -9.3 26.6 21.1 51 51 A S H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.893 106.3 53.6 -67.4 -34.7 -9.4 30.1 22.6 52 52 A K H X S+ 0 0 23 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.944 107.6 49.2 -61.3 -49.4 -7.8 31.4 19.4 53 53 A L H <>S+ 0 0 0 -4,-1.9 5,-2.8 2,-0.2 6,-0.7 0.835 110.6 51.2 -59.3 -36.4 -10.5 29.7 17.3 54 54 A Q H ><5S+ 0 0 53 -4,-1.6 3,-2.6 4,-0.2 -1,-0.2 0.953 107.1 53.1 -65.0 -47.1 -13.1 31.4 19.6 55 55 A R H 3<5S+ 0 0 110 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.849 111.6 46.3 -55.5 -37.7 -11.4 34.7 19.0 56 56 A H T 3<5S- 0 0 106 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.257 115.7-118.7 -88.1 6.8 -11.7 34.1 15.3 57 57 A G T < 5S+ 0 0 61 -3,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.623 84.7 110.6 65.5 20.1 -15.3 33.0 15.7 58 58 A I < + 0 0 55 -5,-2.8 -4,-0.2 -6,-0.2 -5,-0.1 0.388 59.1 68.8-107.4 6.2 -14.8 29.5 14.3 59 59 A L S > S+ 0 0 0 -6,-0.7 3,-2.3 -8,-0.1 -5,-0.1 0.923 72.8 89.5 -87.6 -49.9 -15.3 27.4 17.5 60 60 A D T 3 S+ 0 0 102 1,-0.3 29,-0.2 -7,-0.1 3,-0.1 -0.263 100.3 13.0 -55.6 125.2 -19.0 27.8 18.3 61 61 A G T 3 S+ 0 0 49 27,-3.5 71,-0.4 1,-0.3 -1,-0.3 0.419 99.7 124.5 89.4 -0.9 -21.0 25.1 16.6 62 62 A A < - 0 0 2 -3,-2.3 28,-1.8 26,-0.4 2,-0.5 -0.347 58.8-129.9 -87.5 168.7 -18.1 23.0 15.6 63 63 A T E -de 90 133B 1 69,-2.0 71,-2.5 26,-0.2 2,-0.7 -0.984 19.5-145.1-115.4 124.7 -17.4 19.3 16.4 64 64 A V E -de 91 134B 0 26,-2.9 28,-2.3 -2,-0.5 2,-0.6 -0.896 10.2-161.3 -94.2 121.3 -14.0 18.7 17.8 65 65 A V E -de 92 135B 0 69,-2.8 71,-2.5 -2,-0.7 2,-0.6 -0.938 8.4-171.2-103.3 113.1 -12.7 15.4 16.6 66 66 A Y E -de 93 136B 0 26,-2.7 28,-2.6 -2,-0.6 2,-0.5 -0.960 1.1-168.8-111.8 118.2 -9.8 14.4 19.0 67 67 A I E S+de 94 137B 0 69,-2.5 71,-2.7 -2,-0.6 72,-0.3 -0.935 76.5 26.3-110.8 128.9 -7.9 11.4 17.8 68 68 A G S S+ 0 0 0 26,-2.5 -1,-0.2 -2,-0.5 27,-0.2 0.829 81.9 146.9 84.7 38.5 -5.5 9.8 20.2 69 69 A S + 0 0 0 25,-0.9 6,-0.2 -3,-0.4 26,-0.1 0.642 22.4 145.0 -82.4 -19.3 -7.6 11.2 23.1 70 70 A A + 0 0 0 1,-0.3 29,-0.2 24,-0.1 2,-0.1 -0.500 69.2 7.4 -82.7 143.1 -7.2 8.5 25.8 71 71 A P S S+ 0 0 40 0, 0.0 29,-2.6 0, 0.0 -1,-0.3 -0.918 82.6 174.0 -65.9 -35.0 -7.1 8.6 28.8 72 72 A G >> + 0 0 0 27,-0.2 3,-1.8 -4,-0.1 4,-0.7 0.679 13.8 154.1 75.4 22.5 -8.0 12.3 28.2 73 73 A T H >> S+ 0 0 35 1,-0.3 3,-1.6 2,-0.2 4,-0.6 0.900 75.1 51.9 -44.9 -53.1 -8.5 13.4 31.9 74 74 A H H 3> S+ 0 0 0 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.683 94.1 72.5 -59.6 -24.3 -7.6 17.0 31.0 75 75 A I H <> S+ 0 0 1 -3,-1.8 4,-2.8 1,-0.2 -1,-0.3 0.814 88.8 62.0 -63.4 -29.5 -10.2 17.0 28.1 76 76 A R H S+ 0 0 1 -4,-2.0 5,-1.9 2,-0.2 4,-0.5 0.830 116.4 56.9 -75.4 -28.4 -16.2 26.1 27.0 83 83 A Y H ><5S+ 0 0 121 -4,-2.4 3,-0.7 -5,-0.3 -2,-0.2 0.886 109.3 46.1 -66.6 -39.9 -19.5 24.6 28.1 84 84 A N H 3<5S+ 0 0 103 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.719 106.3 59.6 -77.8 -18.8 -19.7 27.0 31.0 85 85 A L T 3<5S- 0 0 37 -4,-0.9 -1,-0.2 -5,-0.3 -2,-0.2 0.608 118.6-110.0 -84.1 -10.8 -18.8 29.9 28.7 86 86 A G T < 5 + 0 0 52 -3,-0.7 2,-0.3 -4,-0.5 -3,-0.2 0.449 69.4 143.9 98.0 -1.1 -21.9 29.2 26.6 87 87 A V < - 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