==== 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 METHYLTRANSFERASE 16-DEC-96 2VP3 . 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) . 13753.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 67.8 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 . 19 6.5 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 . 88 30.1 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 2 0 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 0 199 0, 0.0 2,-1.3 0, 0.0 240,-0.0 0.000 360.0 360.0 360.0 147.3 20.2 30.4 41.5 2 2 A D + 0 0 75 238,-0.2 240,-2.4 2,-0.0 2,-0.1 -0.484 360.0 176.9 -90.0 70.9 19.7 30.8 37.7 3 3 A V E +a 242 0A 77 -2,-1.3 2,-0.3 238,-0.2 240,-0.2 -0.342 9.6 151.3 -85.1 150.7 18.2 34.3 37.4 4 4 A V E -a 243 0A 45 238,-2.2 240,-1.5 -2,-0.1 241,-0.7 -0.985 36.1-124.5-165.0 161.1 17.2 36.5 34.4 5 5 A S + 0 0 80 -2,-0.3 2,-0.4 238,-0.2 238,-0.1 -0.976 31.0 179.0-117.1 128.6 14.8 39.2 33.2 6 6 A L - 0 0 33 -2,-0.5 -2,-0.0 1,-0.2 239,-0.0 -0.975 27.4-154.7-131.6 146.3 12.6 38.5 30.2 7 7 A D S S- 0 0 137 -2,-0.4 -1,-0.2 1,-0.3 0, 0.0 0.961 82.7 -10.7 -77.9 -66.9 10.0 40.6 28.4 8 8 A K S S- 0 0 116 1,-0.0 -1,-0.3 252,-0.0 2,-0.2 -0.673 73.6-112.6-127.5 168.9 8.1 37.7 26.9 9 9 A P - 0 0 1 0, 0.0 2,-0.7 0, 0.0 245,-0.0 -0.596 44.4 -86.9 -97.6 172.1 8.7 34.0 26.5 10 10 A F + 0 0 20 -2,-0.2 3,-0.1 1,-0.2 6,-0.0 -0.731 47.8 174.4 -77.7 117.3 9.3 32.1 23.2 11 11 A M + 0 0 24 -2,-0.7 181,-2.6 1,-0.2 2,-0.3 0.787 62.2 32.8 -92.6 -34.7 5.8 31.3 22.1 12 12 A Y B >> S-C 191 0B 46 179,-0.2 3,-1.9 1,-0.1 4,-0.5 -0.890 82.3-112.5-126.7 155.0 6.8 29.8 18.7 13 13 A F G >4 S+ 0 0 13 177,-2.2 3,-2.0 -2,-0.3 -1,-0.1 0.889 113.1 58.2 -47.7 -48.3 9.7 27.8 17.3 14 14 A E G 34 S+ 0 0 109 1,-0.3 -1,-0.3 176,-0.1 175,-0.0 0.653 95.0 65.4 -60.4 -20.6 10.9 30.6 15.0 15 15 A E G <4 S+ 0 0 81 -3,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.740 70.6 111.0 -76.8 -22.5 11.3 32.9 18.0 16 16 A I << - 0 0 5 -3,-2.0 215,-0.1 -4,-0.5 214,-0.0 -0.376 50.1-169.7 -57.8 118.5 14.1 30.8 19.4 17 17 A D + 0 0 111 -2,-0.2 2,-0.3 213,-0.1 -1,-0.1 0.042 57.3 34.1-100.5 20.8 17.2 33.0 18.9 18 18 A N - 0 0 84 212,-0.1 2,-0.3 2,-0.0 216,-0.2 -0.966 61.2-149.9-163.1 170.4 20.0 30.6 19.8 19 19 A E - 0 0 86 -2,-0.3 2,-0.3 214,-0.1 211,-0.2 -0.976 1.5-156.8-149.2 162.8 21.1 27.0 19.5 20 20 A L - 0 0 52 209,-1.9 2,-0.3 -2,-0.3 212,-0.2 -0.995 33.3-101.8-143.5 147.2 23.2 24.4 21.3 21 21 A D - 0 0 112 -2,-0.3 2,-0.2 1,-0.1 208,-0.1 -0.529 50.2-111.5 -70.4 124.6 24.9 21.2 20.3 22 22 A Y - 0 0 90 -2,-0.3 -1,-0.1 1,-0.1 207,-0.1 -0.410 26.4-151.4 -60.9 128.1 22.7 18.4 21.6 23 23 A E > - 0 0 70 -2,-0.2 3,-2.4 1,-0.1 4,-0.2 -0.905 4.9-152.6-105.7 110.1 24.3 16.5 24.4 24 24 A P G > S+ 0 0 75 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.696 90.5 74.7 -54.4 -19.4 23.0 12.8 24.5 25 25 A E G > S+ 0 0 125 1,-0.3 3,-1.1 2,-0.2 4,-0.1 0.622 79.1 74.4 -69.1 -14.0 23.7 12.7 28.2 26 26 A S G X S+ 0 0 1 -3,-2.4 3,-1.8 1,-0.2 -1,-0.3 0.747 79.1 73.3 -70.0 -24.7 20.5 14.9 28.6 27 27 A A G < S+ 0 0 71 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.663 93.8 54.2 -62.9 -19.0 18.5 11.8 27.8 28 28 A N G < S+ 0 0 155 -3,-1.1 -1,-0.3 -4,-0.2 2,-0.2 0.374 89.8 102.2 -95.8 -0.1 19.3 10.5 31.3 29 29 A E S < S- 0 0 99 -3,-1.8 170,-0.2 1,-0.1 2,-0.1 -0.561 91.2 -76.1 -88.4 153.1 18.1 13.6 33.1 30 30 A V - 0 0 110 -2,-0.2 -1,-0.1 1,-0.2 168,-0.1 -0.236 41.3-167.0 -50.1 111.2 14.8 14.0 35.0 31 31 A A + 0 0 51 1,-0.2 167,-1.9 -2,-0.1 2,-0.4 0.679 67.3 32.3 -75.8 -25.7 12.1 14.3 32.3 32 32 A K + 0 0 111 165,-0.2 -1,-0.2 1,-0.1 164,-0.0 -0.980 41.8 174.4-146.5 140.4 9.4 15.5 34.7 33 33 A K S S+ 0 0 109 -2,-0.4 -1,-0.1 -3,-0.1 -2,-0.0 0.557 70.5 59.3-112.1 -13.1 9.0 17.5 37.9 34 34 A L S > S- 0 0 22 161,-0.1 3,-1.2 257,-0.0 4,-0.2 -0.892 83.7-110.2-122.3 146.0 5.2 17.7 38.3 35 35 A P T 3 S+ 0 0 55 0, 0.0 -2,-0.1 0, 0.0 254,-0.0 -0.487 105.7 9.7 -71.9 147.4 2.6 14.9 38.7 36 36 A Y T >> S+ 0 0 116 -2,-0.1 4,-1.8 1,-0.1 3,-1.0 0.751 82.9 152.5 54.0 29.3 0.3 14.6 35.6 37 37 A Q H <> + 0 0 6 -3,-1.2 4,-2.8 1,-0.3 5,-0.1 0.852 66.1 58.8 -57.8 -33.3 2.7 17.0 33.9 38 38 A G H 3> S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.827 105.1 47.4 -66.4 -33.6 1.7 15.5 30.5 39 39 A Q H <> S+ 0 0 26 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.872 112.4 50.6 -75.3 -34.8 -2.0 16.3 31.0 40 40 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.931 108.2 53.0 -63.9 -46.2 -1.0 19.9 32.0 41 41 A K H X S+ 0 0 24 -4,-2.8 4,-1.9 154,-0.3 -2,-0.2 0.944 114.9 40.6 -53.1 -53.7 1.1 20.2 28.9 42 42 A L H X S+ 0 0 9 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.872 112.5 55.8 -64.1 -42.0 -1.8 19.1 26.6 43 43 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.952 110.0 43.9 -60.3 -49.3 -4.4 21.2 28.5 44 44 A L H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.930 115.1 49.2 -63.4 -43.8 -2.5 24.5 28.2 45 45 A G H X S+ 0 0 4 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.2 0.919 115.2 42.3 -61.4 -47.7 -1.7 23.9 24.5 46 46 A E H X S+ 0 0 5 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.794 113.2 52.7 -71.3 -28.2 -5.3 22.9 23.5 47 47 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.916 112.0 48.0 -69.9 -41.8 -6.8 25.8 25.7 48 48 A F H X S+ 0 0 11 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.971 115.5 43.6 -60.0 -55.0 -4.4 28.1 23.8 49 49 A F H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 3,-0.3 0.933 116.2 45.7 -57.5 -53.7 -5.4 26.7 20.4 50 50 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.863 108.3 55.7 -62.8 -35.8 -9.1 26.6 21.1 51 51 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.836 105.6 54.8 -65.0 -31.7 -9.3 30.1 22.6 52 52 A K H X S+ 0 0 23 -4,-1.4 4,-1.9 -3,-0.3 -1,-0.2 0.933 106.6 49.4 -64.2 -48.6 -7.7 31.4 19.4 53 53 A L H <>S+ 0 0 0 -4,-1.6 5,-3.3 2,-0.2 6,-0.7 0.815 109.9 51.7 -60.1 -36.6 -10.5 29.8 17.3 54 54 A Q H ><5S+ 0 0 52 -4,-1.7 3,-1.9 3,-0.2 -1,-0.2 0.936 107.5 52.6 -64.8 -46.1 -13.1 31.3 19.6 55 55 A R H 3<5S+ 0 0 109 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.862 111.9 45.8 -56.9 -37.4 -11.4 34.7 19.0 56 56 A H T 3<5S- 0 0 106 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.368 116.0-119.4 -87.1 1.7 -11.6 34.1 15.2 57 57 A G T < 5S+ 0 0 62 -3,-1.9 -3,-0.2 -5,-0.2 -2,-0.1 0.770 83.7 111.4 66.1 31.3 -15.3 33.0 15.7 58 58 A I < + 0 0 53 -5,-3.3 -4,-0.2 -6,-0.1 107,-0.1 0.411 58.3 70.1-115.4 4.4 -14.7 29.5 14.3 59 59 A L S > S+ 0 0 0 -6,-0.7 3,-2.4 -9,-0.1 2,-0.1 0.929 73.1 87.8 -83.9 -51.5 -15.2 27.4 17.4 60 60 A D T 3 S+ 0 0 102 1,-0.3 29,-0.2 -7,-0.1 3,-0.1 -0.315 100.7 15.1 -57.5 118.7 -19.0 27.7 18.2 61 61 A G T 3 S+ 0 0 43 27,-3.7 71,-0.5 1,-0.3 -1,-0.3 0.341 99.6 125.5 98.9 -1.8 -20.9 25.1 16.3 62 62 A A < - 0 0 1 -3,-2.4 28,-1.8 26,-0.4 2,-0.5 -0.378 58.1-131.8 -89.4 162.6 -17.9 23.0 15.5 63 63 A T E -de 90 133B 2 69,-2.5 71,-2.5 26,-0.2 2,-0.7 -0.971 19.4-145.0-110.3 121.3 -17.3 19.3 16.2 64 64 A V E -de 91 134B 0 26,-3.4 28,-2.5 -2,-0.5 2,-0.7 -0.851 11.4-163.0 -90.1 114.8 -13.9 18.7 17.8 65 65 A V E -de 92 135B 0 69,-3.0 71,-2.3 -2,-0.7 2,-0.6 -0.908 7.8-171.2 -98.4 110.4 -12.5 15.4 16.5 66 66 A Y E -de 93 136B 0 26,-2.7 28,-2.7 -2,-0.7 3,-0.5 -0.939 1.7-168.1-107.8 114.8 -9.7 14.4 18.8 67 67 A I E S+de 94 137B 0 69,-2.6 71,-2.6 -2,-0.6 72,-0.3 -0.891 76.5 24.4-105.6 128.6 -7.7 11.4 17.6 68 68 A G S S+ 0 0 0 26,-2.7 -1,-0.2 -2,-0.5 27,-0.2 0.802 82.4 145.4 85.1 36.5 -5.3 9.9 20.1 69 69 A S + 0 0 0 25,-1.1 6,-0.2 -3,-0.5 26,-0.1 0.661 22.6 145.9 -81.1 -22.2 -7.4 11.2 23.0 70 70 A A + 0 0 0 1,-0.3 29,-0.2 24,-0.1 26,-0.1 -0.429 68.3 11.2 -75.9 143.6 -7.1 8.5 25.7 71 71 A P S S+ 0 0 42 0, 0.0 29,-2.6 0, 0.0 -1,-0.3 -0.918 82.2 175.8 -68.7 -31.3 -7.0 8.7 28.7 72 72 A G >> + 0 0 0 27,-0.2 3,-1.8 -4,-0.1 4,-0.8 0.645 17.9 149.9 76.6 19.3 -8.1 12.3 28.1 73 73 A T H >> S+ 0 0 36 1,-0.3 3,-1.3 2,-0.2 4,-0.6 0.887 75.3 51.2 -48.0 -50.1 -8.5 13.3 31.7 74 74 A H H 3> S+ 0 0 0 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.666 96.3 70.3 -63.1 -23.4 -7.5 16.9 30.9 75 75 A I H <> S+ 0 0 1 -3,-1.8 4,-2.6 1,-0.2 -1,-0.3 0.817 88.8 62.7 -65.7 -30.4 -10.1 17.0 28.0 76 76 A R H S+ 0 0 1 -4,-2.0 5,-1.7 2,-0.2 3,-0.3 0.835 116.0 57.6 -78.6 -30.5 -16.1 26.1 26.8 83 83 A Y H ><5S+ 0 0 119 -4,-2.4 3,-1.5 -5,-0.3 -2,-0.2 0.942 108.8 46.8 -61.4 -48.6 -19.4 24.5 27.8 84 84 A N T 3<5S+ 0 0 100 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.644 105.9 60.0 -70.5 -14.2 -19.6 27.0 30.7 85 85 A L T 3 5S- 0 0 36 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.2 0.470 118.3-109.2 -92.0 -2.2 -18.8 29.9 28.4 86 86 A G T < 5S+ 0 0 50 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.366 70.1 143.6 93.2 -5.4 -21.8 29.2 26.3 87 87 A V < - 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