==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-AUG-01 1JSZ . COMPND 2 MOLECULE: VP39; . SOURCE 2 ORGANISM_SCIENTIFIC: VACCINIA VIRUS; . AUTHOR G.HU,A.OGURO,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) . 13822.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 67.5 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 . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 30.8 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 0 1 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 0 202 0, 0.0 2,-1.1 0, 0.0 240,-0.1 0.000 360.0 360.0 360.0 159.7 20.0 30.5 41.0 2 2 A D + 0 0 65 238,-0.2 240,-2.7 2,-0.0 2,-0.2 -0.477 360.0 171.2 -93.4 67.9 19.1 31.2 37.4 3 3 A V E +a 242 0A 84 -2,-1.1 2,-0.3 238,-0.2 240,-0.2 -0.488 1.7 154.6 -87.6 144.0 17.4 34.6 37.5 4 4 A V E -a 243 0A 44 238,-3.2 240,-1.7 -2,-0.2 241,-0.7 -0.976 38.7-122.2-158.1 163.0 16.4 36.8 34.6 5 5 A S - 0 0 78 -2,-0.3 2,-0.4 238,-0.2 238,-0.1 -0.971 33.0-178.4-115.2 123.3 14.0 39.5 33.4 6 6 A L - 0 0 41 -2,-0.5 -2,-0.0 1,-0.1 239,-0.0 -0.972 27.6-155.9-125.5 141.2 12.0 38.6 30.3 7 7 A D S S- 0 0 135 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.926 81.9 -17.4 -75.9 -49.5 9.5 40.7 28.4 8 8 A K S S- 0 0 112 252,-0.0 -1,-0.3 0, 0.0 2,-0.2 -0.934 70.5-106.5-151.4 162.1 7.6 37.6 27.1 9 9 A P - 0 0 2 0, 0.0 2,-0.6 0, 0.0 245,-0.0 -0.534 46.8 -90.6 -89.0 166.4 8.2 33.9 26.7 10 10 A F + 0 0 24 1,-0.2 3,-0.1 -2,-0.2 6,-0.0 -0.702 45.2 178.4 -76.4 115.5 8.8 32.2 23.3 11 11 A M + 0 0 25 -2,-0.6 181,-2.9 1,-0.2 2,-0.3 0.811 63.5 32.6 -87.9 -34.9 5.3 31.3 22.1 12 12 A Y B >> S-C 191 0B 47 179,-0.2 3,-2.0 1,-0.1 4,-0.6 -0.905 82.2-113.6-125.9 155.1 6.3 29.8 18.8 13 13 A F G >4 S+ 0 0 15 177,-2.2 3,-1.2 -2,-0.3 178,-0.1 0.821 112.3 61.1 -49.5 -43.8 9.3 27.8 17.5 14 14 A E G 34 S+ 0 0 108 1,-0.3 -1,-0.3 176,-0.1 175,-0.0 0.683 96.8 62.3 -62.0 -18.2 10.4 30.5 15.1 15 15 A E G <4 S+ 0 0 84 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.765 70.1 110.6 -81.0 -27.2 10.9 32.8 18.1 16 16 A I << - 0 0 6 -3,-1.2 215,-0.1 -4,-0.6 214,-0.0 -0.317 53.0-164.5 -53.0 117.0 13.6 30.7 19.8 17 17 A D + 0 0 104 -2,-0.1 2,-0.3 213,-0.1 -1,-0.2 0.052 57.2 31.8 -97.2 22.7 16.7 33.0 19.3 18 18 A N - 0 0 88 212,-0.1 2,-0.3 2,-0.0 216,-0.2 -0.975 60.6-146.8-164.2 172.3 19.6 30.6 20.1 19 19 A E - 0 0 87 -2,-0.3 2,-0.3 214,-0.1 211,-0.2 -0.958 2.3-159.5-147.2 164.8 20.7 27.0 19.9 20 20 A L - 0 0 56 209,-1.8 2,-0.3 -2,-0.3 212,-0.2 -0.993 34.6-100.7-146.2 145.6 22.9 24.4 21.6 21 21 A D - 0 0 111 -2,-0.3 2,-0.1 1,-0.1 208,-0.0 -0.522 51.3-108.1 -69.4 128.8 24.5 21.2 20.6 22 22 A Y - 0 0 95 -2,-0.3 -1,-0.1 1,-0.1 207,-0.1 -0.378 26.7-151.4 -61.0 131.6 22.3 18.4 21.9 23 23 A E > - 0 0 80 1,-0.1 3,-2.5 -2,-0.1 4,-0.2 -0.911 3.8-156.5-110.2 106.1 23.7 16.4 24.8 24 24 A P G > S+ 0 0 73 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.715 88.6 74.0 -50.7 -26.4 22.5 12.8 24.8 25 25 A E G > S+ 0 0 123 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.727 80.7 71.4 -61.3 -24.7 23.2 12.7 28.6 26 26 A S G X S+ 0 0 1 -3,-2.5 3,-1.2 1,-0.3 -1,-0.3 0.684 81.2 73.6 -66.4 -19.5 20.1 14.9 29.1 27 27 A A G < S+ 0 0 66 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.676 93.1 54.1 -68.6 -17.8 17.9 11.9 28.2 28 28 A N G < S+ 0 0 156 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.453 90.7 99.6 -93.0 -6.4 18.8 10.3 31.6 29 29 A E S < S- 0 0 99 -3,-1.2 170,-0.1 -4,-0.2 169,-0.1 -0.516 92.8 -76.3 -82.7 153.7 17.6 13.4 33.5 30 30 A V - 0 0 117 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.207 40.8-163.8 -51.2 124.7 14.2 13.7 35.2 31 31 A A + 0 0 51 1,-0.2 167,-2.0 167,-0.1 2,-0.4 0.638 66.9 33.4 -88.3 -20.4 11.5 14.3 32.6 32 32 A K + 0 0 107 165,-0.2 -1,-0.2 1,-0.1 164,-0.0 -0.972 42.9 179.2-147.7 134.2 8.7 15.5 34.8 33 33 A K S S+ 0 0 115 -2,-0.4 -1,-0.1 -3,-0.1 -2,-0.0 0.632 70.6 60.3-100.5 -17.8 8.3 17.5 38.0 34 34 A L S > S- 0 0 22 161,-0.1 3,-1.3 257,-0.0 4,-0.2 -0.878 82.8-112.6-119.6 144.4 4.5 17.6 38.4 35 35 A P T 3 S+ 0 0 56 0, 0.0 -2,-0.1 0, 0.0 254,-0.0 -0.474 106.2 10.4 -70.0 144.3 1.9 14.9 38.8 36 36 A Y T 3> S+ 0 0 109 -2,-0.1 4,-1.9 1,-0.1 3,-0.4 0.762 82.4 150.2 56.7 31.1 -0.4 14.7 35.7 37 37 A Q H <> + 0 0 4 -3,-1.3 4,-2.8 1,-0.2 5,-0.1 0.851 66.9 57.6 -61.5 -33.8 2.0 17.1 33.9 38 38 A G H > S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.872 105.6 47.6 -65.3 -39.3 1.1 15.5 30.6 39 39 A Q H > S+ 0 0 28 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.888 113.4 49.5 -69.5 -36.5 -2.6 16.3 31.0 40 40 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.927 108.1 52.3 -64.8 -48.8 -1.7 19.8 32.0 41 41 A K H X S+ 0 0 24 -4,-2.8 4,-2.1 154,-0.3 5,-0.2 0.967 115.1 43.0 -51.0 -54.0 0.6 20.2 28.9 42 42 A L H X S+ 0 0 8 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.864 112.0 53.1 -60.4 -45.1 -2.3 19.1 26.7 43 43 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.939 110.7 46.3 -61.2 -44.5 -5.0 21.2 28.5 44 44 A L H X S+ 0 0 2 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.951 115.2 45.5 -64.0 -47.0 -3.0 24.4 28.1 45 45 A G H X S+ 0 0 4 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.860 116.1 45.1 -62.7 -42.1 -2.2 23.9 24.5 46 46 A E H X S+ 0 0 5 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.842 112.2 51.3 -72.0 -35.3 -5.7 22.9 23.6 47 47 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.893 112.1 48.9 -66.3 -41.4 -7.3 25.7 25.6 48 48 A F H X S+ 0 0 10 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.946 114.3 44.6 -61.8 -51.8 -5.0 28.1 23.7 49 49 A F H X S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.2 3,-0.5 0.945 114.9 46.4 -58.5 -54.7 -5.9 26.7 20.3 50 50 A L H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.836 109.6 54.5 -61.6 -33.6 -9.6 26.6 20.9 51 51 A S H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.818 105.7 54.0 -68.1 -32.4 -9.7 30.1 22.4 52 52 A K H X S+ 0 0 24 -4,-1.4 4,-1.5 -3,-0.5 -2,-0.2 0.923 108.0 48.8 -66.0 -45.8 -8.0 31.4 19.2 53 53 A L H <>S+ 0 0 0 -4,-1.8 5,-3.0 2,-0.2 6,-0.6 0.839 110.4 51.3 -62.5 -36.2 -10.7 29.8 17.1 54 54 A Q H ><5S+ 0 0 49 -4,-1.6 3,-2.3 3,-0.2 -2,-0.2 0.948 106.6 54.7 -64.9 -45.9 -13.3 31.4 19.3 55 55 A R H 3<5S+ 0 0 107 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.826 112.3 43.3 -55.8 -34.9 -11.5 34.7 18.8 56 56 A H T 3<5S- 0 0 103 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.294 115.7-117.8 -94.0 4.5 -11.9 34.1 15.0 57 57 A G T < 5S+ 0 0 59 -3,-2.3 -3,-0.2 -5,-0.1 -2,-0.1 0.707 83.4 111.7 68.1 25.9 -15.5 32.9 15.4 58 58 A I < + 0 0 50 -5,-3.0 -4,-0.2 -6,-0.1 107,-0.1 0.379 59.3 68.7-112.4 10.1 -15.0 29.4 14.1 59 59 A L S > S+ 0 0 0 -6,-0.6 3,-2.2 -9,-0.1 -5,-0.1 0.917 73.9 87.3 -90.5 -51.4 -15.6 27.3 17.2 60 60 A D T 3 S+ 0 0 102 1,-0.3 29,-0.2 -7,-0.1 3,-0.1 -0.287 101.7 13.3 -56.3 124.9 -19.3 27.8 17.9 61 61 A G T 3 S+ 0 0 50 27,-3.3 71,-0.5 1,-0.3 -1,-0.3 0.312 100.6 119.5 91.6 -6.3 -21.3 25.2 16.0 62 62 A A < - 0 0 1 -3,-2.2 28,-1.6 26,-0.3 2,-0.5 -0.337 62.0-126.7 -88.2 167.7 -18.4 22.9 15.1 63 63 A T E -de 90 133B 1 69,-2.7 71,-2.2 26,-0.2 2,-0.8 -0.980 20.4-142.1-113.8 124.1 -17.7 19.3 15.9 64 64 A V E -de 91 134B 0 26,-3.2 28,-2.4 -2,-0.5 2,-0.7 -0.822 12.1-161.9 -90.5 113.6 -14.3 18.7 17.5 65 65 A V E -de 92 135B 0 69,-2.7 71,-2.4 -2,-0.8 2,-0.6 -0.889 8.6-172.8 -96.3 111.6 -12.9 15.5 16.2 66 66 A Y E -de 93 136B 0 26,-2.3 28,-2.7 -2,-0.7 2,-0.5 -0.955 1.8-170.3-110.1 116.9 -10.1 14.4 18.7 67 67 A I E S+de 94 137B 0 69,-2.5 71,-2.8 -2,-0.6 72,-0.4 -0.948 76.1 27.0-111.4 123.4 -8.1 11.4 17.5 68 68 A G S S+ 0 0 0 26,-2.2 -1,-0.2 -2,-0.5 27,-0.2 0.763 81.7 142.9 91.0 36.8 -5.7 9.9 20.0 69 69 A S + 0 0 0 25,-0.8 6,-0.2 -3,-0.4 26,-0.1 0.622 23.4 141.7 -83.6 -20.7 -7.9 11.2 22.9 70 70 A A S S+ 0 0 0 1,-0.2 2,-0.2 224,-0.2 29,-0.2 -0.515 71.3 10.8 -80.0 139.9 -7.7 8.4 25.5 71 71 A P S S+ 0 0 43 0, 0.0 29,-2.2 0, 0.0 -1,-0.2 -0.872 83.6 170.3 -64.1 -41.7 -7.6 8.6 28.6 72 72 A G >> + 0 0 0 27,-0.2 3,-1.8 -2,-0.2 4,-0.6 0.716 11.5 154.2 75.8 26.7 -8.4 12.3 27.9 73 73 A T H >> S+ 0 0 35 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.891 73.4 54.1 -51.2 -47.1 -9.0 13.2 31.5 74 74 A H H 3> S+ 0 0 0 1,-0.3 4,-1.3 2,-0.2 3,-0.4 0.687 92.7 73.3 -63.6 -21.5 -8.1 16.9 30.8 75 75 A I H <> S+ 0 0 1 -3,-1.8 4,-2.7 1,-0.2 -1,-0.3 0.782 86.3 64.3 -65.1 -27.2 -10.7 16.9 27.9 76 76 A R H S+ 0 0 0 -4,-2.0 5,-1.2 1,-0.2 4,-0.7 0.816 116.3 56.9 -77.0 -26.2 -16.6 26.1 26.6 83 83 A Y H <5S+ 0 0 116 -4,-2.0 3,-0.5 -5,-0.3 -2,-0.2 0.875 109.7 44.8 -70.0 -38.7 -19.9 24.5 27.6 84 84 A N H <5S+ 0 0 108 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.701 107.2 60.6 -76.9 -22.0 -20.2 26.9 30.6 85 85 A L H <5S- 0 0 37 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.677 117.7-110.5 -76.9 -18.2 -19.2 29.8 28.3 86 86 A G T <5S+ 0 0 49 -4,-0.7 -3,-0.2 -3,-0.5 -2,-0.1 0.222 70.1 141.7 106.5 -13.0 -22.2 29.2 26.1 87 87 A V < - 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