==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METHYLTRANSFERASE 23-NOV-96 1VP9 . COMPND 2 MOLECULE: VP39; . SOURCE 2 ORGANISM_SCIENTIFIC: VACCINIA VIRUS; . AUTHOR A.E.HODEL,P.D.GERSHON,F.A.QUIOCHO . 292 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13734.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 68.8 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 . 21 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.0 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 0 196 0, 0.0 2,-1.3 0, 0.0 240,-0.1 0.000 360.0 360.0 360.0 148.6 20.2 30.3 41.5 2 2 A D + 0 0 73 238,-0.2 240,-2.4 2,-0.0 2,-0.1 -0.539 360.0 176.3 -90.7 73.2 19.8 30.7 37.7 3 3 A V E +a 242 0A 75 -2,-1.3 2,-0.3 238,-0.2 240,-0.2 -0.343 10.6 152.4 -88.0 157.6 18.2 34.2 37.4 4 4 A V E -a 243 0A 42 238,-1.9 240,-1.3 -2,-0.1 241,-0.8 -0.981 36.5-122.7-169.9 159.4 17.2 36.4 34.5 5 5 A S - 0 0 80 -2,-0.3 2,-0.4 238,-0.2 238,-0.1 -0.963 32.4-179.8-114.4 129.9 14.8 39.2 33.4 6 6 A L - 0 0 36 -2,-0.5 -2,-0.0 1,-0.2 239,-0.0 -0.977 28.3-154.6-131.6 145.8 12.7 38.5 30.4 7 7 A D S S- 0 0 136 -2,-0.4 -1,-0.2 1,-0.3 0, 0.0 0.940 82.5 -14.8 -79.2 -55.6 10.1 40.6 28.6 8 8 A K S S- 0 0 119 252,-0.0 -1,-0.3 0, 0.0 2,-0.2 -0.843 71.6-108.8-142.0 167.2 8.2 37.6 27.2 9 9 A P - 0 0 2 0, 0.0 2,-0.6 0, 0.0 245,-0.0 -0.559 45.6 -88.2 -95.1 170.3 8.8 33.9 26.7 10 10 A F + 0 0 25 -2,-0.2 3,-0.1 1,-0.2 6,-0.0 -0.729 46.6 175.0 -77.5 116.6 9.3 32.1 23.4 11 11 A M + 0 0 25 -2,-0.6 181,-2.6 1,-0.2 2,-0.3 0.791 62.5 33.6 -90.9 -36.9 5.8 31.3 22.2 12 12 A Y B >> S-C 191 0B 44 179,-0.2 3,-1.8 1,-0.1 4,-0.5 -0.892 80.8-115.4-125.0 153.5 6.7 29.9 18.7 13 13 A F G >4 S+ 0 0 18 177,-2.3 3,-2.0 -2,-0.3 -1,-0.1 0.891 112.7 60.7 -47.8 -46.4 9.6 27.9 17.3 14 14 A E G 34 S+ 0 0 108 1,-0.3 -1,-0.3 176,-0.1 -4,-0.0 0.692 95.4 62.5 -57.3 -25.1 10.7 30.7 15.0 15 15 A E G <4 S+ 0 0 83 -3,-1.8 -1,-0.3 2,-0.0 2,-0.3 0.704 71.0 112.2 -77.0 -22.4 11.3 33.0 18.0 16 16 A I << - 0 0 5 -3,-2.0 215,-0.1 -4,-0.5 214,-0.0 -0.393 48.6-170.3 -58.3 115.9 14.1 30.8 19.4 17 17 A D + 0 0 111 -2,-0.3 2,-0.3 213,-0.1 -1,-0.1 -0.032 56.4 35.4-100.7 26.7 17.1 33.0 19.0 18 18 A N - 0 0 86 212,-0.1 2,-0.3 2,-0.0 216,-0.2 -0.981 61.6-147.0-168.5 164.1 20.0 30.7 19.8 19 19 A E - 0 0 84 -2,-0.3 2,-0.3 214,-0.1 211,-0.2 -0.940 2.8-161.1-141.8 163.5 21.1 27.1 19.5 20 20 A L - 0 0 51 209,-1.7 2,-0.4 -2,-0.3 213,-0.2 -0.993 34.5-101.5-144.7 147.1 23.2 24.4 21.3 21 21 A D - 0 0 110 -2,-0.3 2,-0.2 1,-0.1 208,-0.1 -0.563 48.5-112.3 -71.5 123.0 24.8 21.2 20.3 22 22 A Y - 0 0 80 -2,-0.4 -1,-0.1 1,-0.1 207,-0.1 -0.404 25.3-151.1 -60.7 124.2 22.5 18.4 21.5 23 23 A E > - 0 0 69 -2,-0.2 3,-2.3 1,-0.1 4,-0.2 -0.894 3.5-152.5-101.5 110.0 24.1 16.4 24.3 24 24 A P G > S+ 0 0 75 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.665 90.8 73.3 -56.1 -17.7 22.8 12.8 24.2 25 25 A E G > S+ 0 0 124 1,-0.2 3,-1.9 2,-0.2 4,-0.2 0.713 78.6 76.8 -69.9 -19.5 23.4 12.5 27.9 26 26 A S G X S+ 0 0 2 -3,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.763 78.2 72.3 -62.9 -23.8 20.4 14.8 28.4 27 27 A A G < S+ 0 0 70 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.625 94.0 54.9 -66.2 -14.3 18.1 11.8 27.6 28 28 A N G < S+ 0 0 154 -3,-1.9 -1,-0.3 -4,-0.1 2,-0.2 0.379 88.8 103.7 -97.7 -2.9 19.1 10.4 31.1 29 29 A E S < S- 0 0 100 -3,-1.7 170,-0.2 -4,-0.2 169,-0.1 -0.549 92.4 -78.9 -83.9 150.1 18.1 13.5 32.9 30 30 A V - 0 0 113 -2,-0.2 -1,-0.1 1,-0.2 168,-0.1 -0.239 41.9-164.8 -49.3 114.8 14.8 13.8 34.9 31 31 A A + 0 0 49 1,-0.2 167,-2.1 166,-0.1 2,-0.4 0.702 67.2 32.0 -78.9 -23.9 12.1 14.3 32.2 32 32 A K + 0 0 111 165,-0.2 -1,-0.2 1,-0.1 164,-0.0 -0.990 42.3 176.4-144.7 142.9 9.4 15.5 34.6 33 33 A K S S+ 0 0 113 -2,-0.4 -1,-0.1 -3,-0.1 -3,-0.0 0.312 70.1 61.2-119.8 4.2 9.1 17.4 37.9 34 34 A L S > S- 0 0 20 161,-0.1 3,-1.3 257,-0.0 4,-0.2 -0.987 83.8-109.1-135.6 142.4 5.3 17.6 38.4 35 35 A P T 3 S+ 0 0 57 0, 0.0 -2,-0.1 0, 0.0 254,-0.0 -0.453 105.6 8.7 -70.9 143.4 2.7 14.9 38.8 36 36 A Y T >> S+ 0 0 112 -2,-0.1 4,-1.8 1,-0.1 3,-0.8 0.767 82.4 154.8 56.8 32.4 0.4 14.6 35.8 37 37 A Q H <> + 0 0 5 -3,-1.3 4,-2.6 1,-0.2 5,-0.1 0.842 65.6 57.4 -58.9 -34.2 2.7 16.9 33.9 38 38 A G H 3> S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.834 105.0 48.3 -66.2 -35.0 1.7 15.4 30.6 39 39 A Q H <> S+ 0 0 28 -3,-0.8 4,-2.7 2,-0.2 -1,-0.2 0.891 113.0 49.6 -73.0 -36.6 -2.0 16.2 31.1 40 40 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.930 108.5 52.8 -63.7 -47.3 -1.1 19.8 32.1 41 41 A K H X S+ 0 0 25 -4,-2.6 4,-1.7 154,-0.3 -2,-0.2 0.945 114.7 41.7 -52.2 -52.2 1.2 20.1 28.9 42 42 A L H X S+ 0 0 9 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.893 111.8 55.1 -64.0 -43.5 -1.8 19.1 26.7 43 43 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.925 108.9 46.5 -59.9 -46.3 -4.4 21.1 28.5 44 44 A L H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.923 114.1 47.1 -64.0 -43.9 -2.5 24.4 28.2 45 45 A G H X S+ 0 0 4 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.892 115.5 44.6 -65.2 -43.6 -1.7 23.9 24.5 46 46 A E H X S+ 0 0 5 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.813 112.3 51.5 -71.1 -31.0 -5.3 22.9 23.6 47 47 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.916 113.1 47.8 -68.1 -41.6 -6.8 25.8 25.8 48 48 A F H X S+ 0 0 10 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.960 114.7 44.2 -60.7 -54.8 -4.4 28.1 23.9 49 49 A F H X S+ 0 0 1 -4,-2.6 4,-1.7 1,-0.2 3,-0.4 0.950 116.3 45.1 -57.0 -55.7 -5.3 26.8 20.5 50 50 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.850 108.6 55.7 -60.5 -37.5 -9.1 26.6 21.1 51 51 A S H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.847 106.5 53.9 -63.3 -32.6 -9.3 30.1 22.7 52 52 A K H X S+ 0 0 26 -4,-1.4 4,-1.6 -3,-0.4 -2,-0.2 0.941 107.7 48.2 -64.8 -49.1 -7.7 31.4 19.5 53 53 A L H <>S+ 0 0 0 -4,-1.7 5,-3.0 1,-0.2 6,-0.7 0.833 110.3 52.2 -60.6 -37.1 -10.4 29.8 17.3 54 54 A Q H ><5S+ 0 0 53 -4,-1.9 3,-1.9 4,-0.2 -1,-0.2 0.934 107.1 53.0 -63.8 -44.8 -13.0 31.3 19.6 55 55 A R H 3<5S+ 0 0 111 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.820 110.6 47.1 -59.3 -33.5 -11.3 34.7 19.1 56 56 A H T 3<5S- 0 0 106 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.333 116.5-117.2 -89.2 1.5 -11.6 34.2 15.3 57 57 A G T < 5S+ 0 0 59 -3,-1.9 -3,-0.2 -5,-0.2 -2,-0.1 0.720 85.8 109.4 69.6 27.3 -15.2 33.1 15.6 58 58 A I < + 0 0 54 -5,-3.0 -4,-0.2 -6,-0.1 107,-0.1 0.432 58.6 70.2-114.7 5.4 -14.7 29.6 14.3 59 59 A L S > S+ 0 0 0 -6,-0.7 3,-2.3 -9,-0.1 -5,-0.1 0.934 73.9 88.1 -84.4 -50.8 -15.2 27.5 17.5 60 60 A D T 3 S+ 0 0 101 1,-0.3 29,-0.2 -7,-0.1 3,-0.1 -0.281 100.8 12.9 -57.6 122.7 -18.9 27.8 18.1 61 61 A G T 3 S+ 0 0 47 27,-3.5 71,-0.5 1,-0.3 -1,-0.3 0.391 99.1 127.1 92.3 -1.4 -20.9 25.2 16.3 62 62 A A < - 0 0 1 -3,-2.3 28,-1.7 26,-0.4 2,-0.5 -0.431 57.6-132.0 -87.8 159.2 -17.9 23.1 15.4 63 63 A T E -de 90 133B 1 69,-2.6 71,-2.3 26,-0.2 2,-0.7 -0.968 20.4-144.0-107.3 122.5 -17.4 19.4 16.1 64 64 A V E -de 91 134B 0 26,-3.4 28,-2.6 -2,-0.5 2,-0.7 -0.844 10.9-163.2 -91.4 114.1 -13.9 18.8 17.7 65 65 A V E -de 92 135B 0 69,-2.7 71,-2.5 -2,-0.7 2,-0.6 -0.891 8.4-173.9 -97.8 108.2 -12.5 15.5 16.4 66 66 A Y E -de 93 136B 0 26,-2.5 28,-2.5 -2,-0.7 2,-0.5 -0.944 1.8-169.7-108.5 113.9 -9.7 14.5 18.8 67 67 A I E S+de 94 137B 0 69,-2.4 71,-2.6 -2,-0.6 72,-0.3 -0.898 75.7 26.8-106.2 128.9 -7.8 11.4 17.6 68 68 A G S S+ 0 0 0 26,-2.6 -1,-0.2 -2,-0.5 27,-0.2 0.797 82.1 144.0 86.0 34.9 -5.3 9.9 20.1 69 69 A S + 0 0 0 25,-1.0 6,-0.2 -3,-0.5 26,-0.1 0.655 23.7 146.5 -81.1 -21.4 -7.4 11.3 23.0 70 70 A A + 0 0 0 1,-0.3 29,-0.2 24,-0.1 26,-0.1 -0.424 67.6 12.1 -76.3 142.7 -7.1 8.5 25.7 71 71 A P S S+ 0 0 40 0, 0.0 29,-2.7 0, 0.0 -1,-0.3 -0.928 82.3 178.1 -67.7 -30.7 -7.1 8.7 28.6 72 72 A G >> + 0 0 0 27,-0.2 3,-1.4 -4,-0.1 4,-0.8 0.646 20.3 148.5 77.3 18.6 -8.2 12.2 28.1 73 73 A T H >> S+ 0 0 36 1,-0.3 3,-1.3 2,-0.2 4,-0.6 0.897 75.3 50.1 -48.3 -50.4 -8.5 13.3 31.8 74 74 A H H 3> S+ 0 0 0 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.689 96.9 69.8 -63.3 -25.9 -7.5 16.9 30.9 75 75 A I H <> S+ 0 0 1 -3,-1.4 4,-2.9 1,-0.2 -1,-0.3 0.815 88.9 63.9 -64.7 -27.7 -10.1 17.0 28.1 76 76 A R H S+ 0 0 0 -4,-2.0 5,-1.8 2,-0.2 4,-0.3 0.867 115.6 55.6 -75.6 -33.3 -16.1 26.1 26.9 83 83 A Y H ><5S+ 0 0 121 -4,-2.5 3,-1.0 -5,-0.2 -2,-0.2 0.891 109.5 47.4 -62.0 -44.4 -19.4 24.6 27.9 84 84 A N H 3<5S+ 0 0 103 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.696 105.7 59.0 -72.7 -19.1 -19.6 27.0 30.8 85 85 A L T 3<5S- 0 0 37 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.485 118.6-110.7 -86.0 -5.8 -18.7 29.9 28.5 86 86 A G T < 5 + 0 0 51 -3,-1.0 2,-0.2 1,-0.3 -3,-0.2 0.449 68.4 145.3 92.5 -1.1 -21.7 29.2 26.4 87 87 A V < - 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0 0 144 -2,-0.2 2,-0.1 15,-0.1 -1,-0.1 -0.490 34.5-123.7 -87.6 148.0 -10.2 3.6 26.8 99 99 A H - 0 0 18 -2,-0.2 -27,-0.2 -29,-0.2 -29,-0.1 -0.460 36.1 -86.6 -85.6 158.6 -11.0 7.0 28.1 100 100 A D > - 0 0 39 -29,-2.7 3,-2.3 1,-0.1 4,-0.2 -0.469 39.6-124.8 -61.7 129.3 -11.1 8.3 31.7 101 101 A P G > S+ 0 0 96 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.649 103.9 79.2 -54.2 -16.5 -14.7 7.6 33.0 102 102 A I G 3 S+ 0 0 65 1,-0.2 -2,-0.0 3,-0.0 -29,-0.0 0.712 87.0 61.1 -66.3 -13.6 -15.1 11.3 33.9 103 103 A L G X S+ 0 0 1 -3,-2.3 3,-0.5 2,-0.0 -1,-0.2 0.574 85.9 96.5 -88.1 -13.6 -15.8 11.8 30.2 104 104 A N T < S+ 0 0 94 -3,-1.4 3,-0.1 -4,-0.2 6,-0.1 -0.317 71.4 35.3 -74.0 163.0 -18.9 9.6 30.2 105 105 A G T 3 S+ 0 0 84 1,-0.2 2,-0.6 4,-0.1 -1,-0.2 0.637 78.4 123.5 70.3 19.2 -22.5 10.8 30.5 106 106 A L X - 0 0 24 -3,-0.5 3,-1.6 3,-0.4 -1,-0.2 -0.959 51.9-153.2-112.7 119.2 -22.1 14.1 28.6 107 107 A R T 3 S+ 0 0 242 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.802 96.0 56.4 -61.3 -27.2 -24.5 14.4 25.7 108 108 A D T 3 S+ 0 0 33 1,-0.1 -17,-3.0 -18,-0.1 2,-0.5 0.396 99.8 70.7 -83.0 -4.4 -22.0 16.7 23.9 109 109 A V E < -f 91 0B 14 -3,-1.6 2,-0.5 -19,-0.2 -3,-0.4 -0.957 58.8-169.4-126.6 120.8 -19.2 14.2 24.0 110 110 A T E -f 92 0B 75 -19,-2.8 -17,-3.0 -2,-0.5 2,-0.4 -0.904 8.9-157.4-104.6 125.0 -18.9 11.0 22.0 111 111 A L E -f 93 0B 48 -2,-0.5 2,-0.4 -19,-0.2 -17,-0.2 -0.873 9.4-171.0-103.8 132.4 -16.2 8.4 22.9 112 112 A V E -f 94 0B 23 -19,-3.2 -17,-1.9 -2,-0.4 2,-0.8 -0.981 16.3-154.2-127.4 131.6 -15.1 6.0 20.3 113 113 A T E +f 95 0B 69 -2,-0.4 2,-0.3 -19,-0.2 -17,-0.3 -0.882 53.2 115.0-106.3 92.7 -12.8 3.0 20.9 114 114 A R - 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