==== 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 1V39 . 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) . 13765.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 69.2 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 . 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 0 197 0, 0.0 2,-1.2 0, 0.0 240,-0.1 0.000 360.0 360.0 360.0 149.0 20.3 30.4 41.5 2 2 A D + 0 0 70 238,-0.2 240,-2.2 2,-0.0 2,-0.1 -0.458 360.0 174.3 -90.6 66.5 19.8 30.8 37.7 3 3 A V E +a 242 0A 73 -2,-1.2 2,-0.3 238,-0.2 240,-0.2 -0.286 8.8 151.8 -82.0 155.0 18.2 34.2 37.5 4 4 A V E -a 243 0A 47 238,-2.0 240,-1.4 -2,-0.1 241,-0.7 -0.985 36.8-119.9-169.7 160.9 17.2 36.5 34.6 5 5 A S - 0 0 79 -2,-0.3 2,-0.3 238,-0.2 238,-0.1 -0.953 31.9-178.6-113.9 132.2 14.8 39.2 33.4 6 6 A L - 0 0 38 -2,-0.5 -2,-0.0 1,-0.2 239,-0.0 -0.979 27.6-155.8-133.2 146.8 12.7 38.5 30.3 7 7 A D S S- 0 0 133 -2,-0.3 -1,-0.2 1,-0.3 0, 0.0 0.959 82.9 -14.8 -78.5 -65.0 10.1 40.6 28.4 8 8 A K S S- 0 0 125 252,-0.0 -1,-0.3 1,-0.0 2,-0.2 -0.754 71.9-112.0-133.6 167.8 8.2 37.7 27.0 9 9 A P - 0 0 4 0, 0.0 2,-0.6 0, 0.0 245,-0.0 -0.570 45.3 -86.5 -96.4 173.0 8.8 33.9 26.6 10 10 A F + 0 0 27 -2,-0.2 3,-0.1 1,-0.2 182,-0.0 -0.739 46.5 174.6 -80.2 117.6 9.3 32.1 23.3 11 11 A M + 0 0 25 -2,-0.6 181,-2.7 1,-0.2 2,-0.3 0.780 63.2 35.2 -91.4 -35.8 5.8 31.3 22.1 12 12 A Y B >> S-C 191 0B 45 179,-0.2 3,-1.9 1,-0.1 4,-0.6 -0.898 80.7-116.6-124.2 153.4 6.8 29.8 18.7 13 13 A F G >4 S+ 0 0 15 177,-2.2 3,-1.9 -2,-0.3 -1,-0.1 0.889 112.1 61.2 -48.8 -44.6 9.7 27.8 17.4 14 14 A E G 34 S+ 0 0 109 1,-0.3 -1,-0.3 176,-0.1 -4,-0.0 0.662 94.6 62.8 -59.3 -22.0 10.8 30.6 15.1 15 15 A E G <4 S+ 0 0 84 -3,-1.9 -1,-0.3 2,-0.0 2,-0.2 0.719 71.3 110.8 -79.0 -22.9 11.4 32.9 18.0 16 16 A I << - 0 0 5 -3,-1.9 215,-0.1 -4,-0.6 214,-0.0 -0.396 49.0-171.6 -57.8 116.3 14.2 30.8 19.4 17 17 A D + 0 0 115 -2,-0.2 2,-0.3 213,-0.1 -1,-0.1 -0.134 56.3 38.0-104.2 32.0 17.2 33.0 18.8 18 18 A N - 0 0 84 2,-0.0 2,-0.3 212,-0.0 216,-0.2 -0.974 60.8-151.5-170.6 163.6 20.0 30.6 19.8 19 19 A E - 0 0 87 -2,-0.3 2,-0.3 214,-0.1 211,-0.2 -0.957 1.3-160.2-146.2 162.5 21.2 27.0 19.6 20 20 A L - 0 0 53 209,-1.8 2,-0.5 -2,-0.3 213,-0.2 -0.977 35.2 -98.6-142.0 153.9 23.3 24.4 21.3 21 21 A D - 0 0 113 -2,-0.3 2,-0.1 211,-0.1 208,-0.1 -0.633 49.2-110.8 -77.3 122.4 24.9 21.2 20.4 22 22 A Y - 0 0 92 -2,-0.5 -1,-0.1 1,-0.1 207,-0.1 -0.341 27.2-151.5 -55.7 123.0 22.7 18.4 21.6 23 23 A E > - 0 0 73 1,-0.1 3,-2.4 -2,-0.1 4,-0.3 -0.886 3.7-153.2-101.3 111.1 24.3 16.5 24.5 24 24 A P G > S+ 0 0 75 0, 0.0 3,-1.4 0, 0.0 4,-0.1 0.710 90.9 72.2 -56.9 -19.5 23.1 12.8 24.4 25 25 A E G > S+ 0 0 121 1,-0.3 3,-1.4 2,-0.2 4,-0.1 0.654 79.8 76.7 -69.7 -14.6 23.7 12.6 28.2 26 26 A S G X S+ 0 0 1 -3,-2.4 3,-1.9 1,-0.3 -1,-0.3 0.794 78.5 72.5 -65.4 -27.7 20.6 14.9 28.6 27 27 A A G < S+ 0 0 71 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.643 93.3 54.9 -61.3 -17.7 18.5 11.8 27.9 28 28 A N G < S+ 0 0 157 -3,-1.4 -1,-0.3 -4,-0.1 2,-0.2 0.352 88.9 101.5 -96.9 -0.6 19.3 10.5 31.4 29 29 A E S < S- 0 0 98 -3,-1.9 170,-0.2 1,-0.1 169,-0.1 -0.592 91.9 -75.0 -87.9 153.5 18.2 13.6 33.2 30 30 A V - 0 0 109 -2,-0.2 -1,-0.1 1,-0.2 168,-0.1 -0.195 42.4-166.8 -48.8 115.6 14.9 14.0 35.0 31 31 A A + 0 0 52 1,-0.2 167,-1.9 166,-0.1 2,-0.4 0.703 67.4 30.5 -80.7 -26.3 12.2 14.3 32.4 32 32 A K + 0 0 112 165,-0.2 -1,-0.2 1,-0.1 164,-0.0 -0.993 43.9 178.4-143.5 141.3 9.4 15.5 34.6 33 33 A K S S+ 0 0 110 -2,-0.4 -1,-0.1 -3,-0.1 -2,-0.0 0.494 70.1 59.0-113.7 -6.5 9.1 17.5 37.8 34 34 A L S > S- 0 0 24 161,-0.1 3,-1.3 257,-0.0 4,-0.2 -0.936 83.3-109.0-128.4 147.0 5.3 17.6 38.3 35 35 A P T 3 S+ 0 0 54 0, 0.0 -2,-0.1 0, 0.0 254,-0.0 -0.464 106.1 9.7 -72.0 144.3 2.6 14.8 38.7 36 36 A Y T >> S+ 0 0 114 -2,-0.1 4,-1.9 1,-0.1 3,-0.8 0.755 82.5 153.1 56.5 30.5 0.3 14.5 35.7 37 37 A Q H <> + 0 0 4 -3,-1.3 4,-2.9 1,-0.3 5,-0.1 0.842 65.9 58.0 -59.3 -32.8 2.7 16.9 33.9 38 38 A G H 3> S+ 0 0 39 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.843 106.0 47.1 -66.4 -35.7 1.7 15.4 30.5 39 39 A Q H <> S+ 0 0 28 -3,-0.8 4,-2.7 2,-0.2 -1,-0.2 0.895 112.8 50.7 -72.3 -37.2 -2.0 16.2 31.1 40 40 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.939 108.7 51.8 -61.8 -47.7 -1.0 19.7 32.1 41 41 A K H X S+ 0 0 25 -4,-2.9 4,-1.8 154,-0.3 -2,-0.2 0.934 115.0 41.3 -53.8 -51.7 1.2 20.1 28.9 42 42 A L H X S+ 0 0 9 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.869 111.6 56.3 -65.6 -41.6 -1.7 19.1 26.7 43 43 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.954 109.3 44.9 -58.3 -50.8 -4.3 21.1 28.6 44 44 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.918 114.6 47.7 -61.4 -45.0 -2.4 24.4 28.2 45 45 A G H X S+ 0 0 4 -4,-1.8 4,-2.8 -5,-0.2 -1,-0.2 0.890 116.2 42.9 -64.0 -43.1 -1.7 23.9 24.5 46 46 A E H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.772 113.0 51.9 -74.3 -30.2 -5.2 22.9 23.6 47 47 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.920 113.6 47.0 -68.5 -42.9 -6.7 25.7 25.8 48 48 A F H X S+ 0 0 10 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.971 115.1 44.4 -60.1 -55.3 -4.4 28.1 23.9 49 49 A F H X S+ 0 0 1 -4,-2.8 4,-1.7 1,-0.2 3,-0.2 0.935 116.9 45.1 -56.0 -53.3 -5.3 26.7 20.5 50 50 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.852 109.0 54.6 -63.1 -37.7 -9.0 26.6 21.1 51 51 A S H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.858 106.3 55.0 -64.1 -33.2 -9.2 30.1 22.7 52 52 A K H X S+ 0 0 23 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.938 107.0 48.5 -63.1 -48.3 -7.6 31.4 19.5 53 53 A L H <>S+ 0 0 0 -4,-1.7 5,-3.2 1,-0.2 6,-0.7 0.831 109.8 53.0 -60.9 -36.2 -10.3 29.8 17.4 54 54 A Q H ><5S+ 0 0 49 -4,-1.7 3,-1.9 3,-0.2 -1,-0.2 0.937 107.0 52.2 -63.6 -46.9 -12.9 31.4 19.7 55 55 A R H 3<5S+ 0 0 105 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.846 111.0 46.8 -57.5 -37.5 -11.2 34.7 19.1 56 56 A H T 3<5S- 0 0 106 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.353 116.2-119.2 -86.4 3.1 -11.5 34.2 15.3 57 57 A G T < 5S+ 0 0 61 -3,-1.9 -3,-0.2 -5,-0.2 -2,-0.1 0.773 83.7 111.5 65.2 32.7 -15.1 33.1 15.8 58 58 A I < + 0 0 56 -5,-3.2 -4,-0.2 -6,-0.1 107,-0.1 0.408 57.3 71.5-117.0 5.8 -14.7 29.6 14.4 59 59 A L S > S+ 0 0 0 -6,-0.7 3,-2.4 -9,-0.1 -5,-0.1 0.927 72.1 88.8 -84.4 -50.5 -15.2 27.5 17.5 60 60 A D T 3 S+ 0 0 102 1,-0.3 29,-0.2 -7,-0.1 3,-0.1 -0.288 100.5 14.2 -57.0 122.3 -18.9 27.8 18.2 61 61 A G T 3 S+ 0 0 45 27,-3.6 71,-0.5 1,-0.3 -1,-0.3 0.351 98.3 127.1 95.1 -3.1 -20.8 25.2 16.3 62 62 A A < - 0 0 2 -3,-2.4 28,-1.7 26,-0.3 2,-0.6 -0.396 57.6-132.6 -86.7 159.2 -17.8 23.1 15.5 63 63 A T E -de 90 133B 2 69,-2.6 71,-2.3 26,-0.2 2,-0.8 -0.972 20.8-142.9-107.3 119.9 -17.4 19.4 16.2 64 64 A V E -de 91 134B 0 26,-3.6 28,-2.6 -2,-0.6 2,-0.8 -0.804 12.5-163.7 -87.2 113.8 -14.0 18.8 17.8 65 65 A V E -de 92 135B 0 69,-2.8 71,-2.4 -2,-0.8 2,-0.6 -0.890 7.9-174.1 -98.5 106.5 -12.5 15.5 16.4 66 66 A Y E -de 93 136B 0 26,-2.3 28,-2.5 -2,-0.8 3,-0.5 -0.932 2.0-169.4-106.2 111.4 -9.7 14.5 18.8 67 67 A I E S+de 94 137B 0 69,-2.5 71,-2.3 -2,-0.6 72,-0.4 -0.883 75.9 27.7-103.6 128.9 -7.7 11.4 17.5 68 68 A G S S+ 0 0 0 26,-2.5 -1,-0.2 -2,-0.5 27,-0.2 0.798 82.6 144.3 86.6 36.5 -5.3 9.9 20.0 69 69 A S + 0 0 0 25,-1.1 6,-0.2 -3,-0.5 26,-0.1 0.640 21.7 143.4 -82.6 -21.7 -7.4 11.2 22.9 70 70 A A + 0 0 0 1,-0.2 29,-0.2 24,-0.1 2,-0.1 -0.459 69.9 12.3 -77.5 142.9 -7.2 8.4 25.6 71 71 A P S S+ 0 0 39 0, 0.0 29,-2.6 0, 0.0 -1,-0.2 -0.898 81.8 174.0 -68.1 -33.2 -7.1 8.6 28.6 72 72 A G >> + 0 0 0 27,-0.2 3,-1.7 -2,-0.1 4,-0.7 0.639 16.5 150.4 76.6 18.3 -8.0 12.2 28.0 73 73 A T H >> S+ 0 0 35 1,-0.3 3,-1.5 2,-0.2 4,-0.6 0.889 74.6 51.2 -45.7 -51.6 -8.5 13.2 31.7 74 74 A H H 3> S+ 0 0 0 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.695 96.1 70.9 -61.4 -26.2 -7.5 16.9 30.9 75 75 A I H <> S+ 0 0 1 -3,-1.7 4,-2.6 1,-0.2 -1,-0.3 0.771 88.1 63.2 -63.5 -28.5 -10.0 17.0 28.0 76 76 A R H S+ 0 0 0 -4,-2.0 5,-2.0 2,-0.2 -1,-0.2 0.838 116.3 55.4 -76.9 -31.9 -16.1 26.1 26.8 83 83 A Y H ><5S+ 0 0 121 -4,-2.3 3,-1.2 -5,-0.2 -2,-0.2 0.914 109.7 47.6 -64.1 -44.8 -19.5 24.5 27.9 84 84 A N H 3<5S+ 0 0 103 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.735 106.1 58.1 -70.5 -22.9 -19.6 26.9 30.8 85 85 A L T 3<5S- 0 0 36 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.454 119.1-110.2 -84.9 -3.6 -18.7 29.9 28.6 86 86 A G T < 5 + 0 0 49 -3,-1.2 2,-0.2 1,-0.3 -3,-0.2 0.465 68.8 145.3 90.6 -0.6 -21.8 29.2 26.5 87 87 A V < - 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