==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MRNA PROCESSING 13-JUL-98 4DCG . COMPND 2 MOLECULE: VP39; . SOURCE 2 ORGANISM_SCIENTIFIC: VACCINIA VIRUS; . AUTHOR G.HU,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) . 13848.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 68.2 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 . 18 6.2 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 . 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 0 198 0, 0.0 2,-0.9 0, 0.0 240,-0.1 0.000 360.0 360.0 360.0 154.9 20.3 30.4 41.4 2 2 A D + 0 0 74 238,-0.2 240,-2.4 2,-0.0 2,-0.1 -0.586 360.0 175.3-100.8 72.3 19.8 31.0 37.6 3 3 A V E +a 242 0A 78 -2,-0.9 2,-0.3 238,-0.2 240,-0.2 -0.398 7.0 156.3 -85.6 153.9 18.1 34.4 37.4 4 4 A V E -a 243 0A 43 238,-2.4 240,-1.1 -2,-0.1 241,-0.7 -0.984 35.2-122.4-165.0 161.0 17.2 36.6 34.5 5 5 A S + 0 0 83 -2,-0.3 2,-0.3 238,-0.2 238,-0.1 -0.977 32.3 180.0-117.5 124.2 14.9 39.4 33.3 6 6 A L - 0 0 42 -2,-0.5 239,-0.0 1,-0.1 -2,-0.0 -0.947 29.5-155.6-127.1 149.5 12.6 38.8 30.3 7 7 A D S S- 0 0 143 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.927 82.7 -17.5 -81.6 -53.9 10.1 40.8 28.4 8 8 A K S S- 0 0 125 252,-0.0 -1,-0.3 0, 0.0 2,-0.2 -0.864 72.1-107.4-146.1 168.5 8.1 37.8 27.0 9 9 A P - 0 0 2 0, 0.0 2,-0.7 0, 0.0 3,-0.2 -0.587 43.9 -88.5 -97.8 170.6 8.7 34.1 26.5 10 10 A F + 0 0 27 -2,-0.2 3,-0.1 1,-0.2 182,-0.0 -0.721 47.2 174.2 -77.0 114.1 9.3 32.2 23.2 11 11 A M + 0 0 26 -2,-0.7 181,-2.3 1,-0.2 2,-0.3 0.777 63.7 35.9 -89.3 -34.2 5.8 31.4 22.2 12 12 A Y B >> S-C 191 0B 44 179,-0.2 3,-2.2 -3,-0.2 4,-0.5 -0.928 79.6-119.9-126.5 149.7 6.7 29.9 18.8 13 13 A F G >4 S+ 0 0 18 177,-2.3 3,-1.9 -2,-0.3 -1,-0.1 0.873 111.1 62.8 -48.3 -43.9 9.7 27.8 17.5 14 14 A E G 34 S+ 0 0 97 1,-0.3 -1,-0.3 176,-0.1 -4,-0.0 0.691 95.8 60.0 -57.7 -22.7 10.5 30.6 15.0 15 15 A E G <4 S+ 0 0 92 -3,-2.2 -1,-0.3 2,-0.0 -2,-0.2 0.684 72.4 113.1 -82.9 -18.8 11.3 33.0 17.9 16 16 A I << - 0 0 6 -3,-1.9 215,-0.1 -4,-0.5 214,-0.0 -0.392 50.0-167.1 -58.6 121.6 14.1 30.8 19.4 17 17 A D + 0 0 107 -2,-0.2 2,-0.3 213,-0.1 -1,-0.1 -0.107 55.2 29.3-106.9 32.2 17.2 32.9 18.8 18 18 A N - 0 0 89 212,-0.0 2,-0.3 2,-0.0 216,-0.2 -0.974 60.5-145.9-173.9 169.3 20.1 30.6 19.5 19 19 A E - 0 0 82 -2,-0.3 2,-0.3 214,-0.1 211,-0.2 -0.986 2.6-160.6-151.1 159.9 21.2 27.0 19.4 20 20 A L - 0 0 57 209,-1.8 2,-0.3 -2,-0.3 212,-0.2 -0.986 35.3 -99.4-140.4 150.1 23.4 24.4 21.2 21 21 A D - 0 0 108 -2,-0.3 2,-0.2 1,-0.1 208,-0.0 -0.534 49.0-108.5 -72.3 129.3 24.9 21.1 20.2 22 22 A Y - 0 0 94 -2,-0.3 -1,-0.1 1,-0.1 207,-0.1 -0.396 26.8-150.6 -60.3 128.2 22.7 18.3 21.6 23 23 A E > - 0 0 73 -2,-0.2 3,-2.3 1,-0.1 4,-0.2 -0.914 4.8-151.6-105.2 112.1 24.3 16.4 24.4 24 24 A P G > S+ 0 0 74 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.685 91.3 75.3 -55.6 -17.6 23.1 12.8 24.5 25 25 A E G > S+ 0 0 128 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.749 79.2 72.8 -66.7 -23.0 23.8 12.8 28.2 26 26 A S G X S+ 0 0 1 -3,-2.3 3,-1.3 1,-0.3 -1,-0.3 0.743 79.7 73.6 -64.6 -24.0 20.6 14.9 28.6 27 27 A A G < S+ 0 0 72 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.701 95.7 51.2 -63.0 -21.3 18.5 11.8 27.8 28 28 A N G < S+ 0 0 156 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.484 90.5 104.1 -92.5 -11.0 19.3 10.5 31.3 29 29 A E S < S- 0 0 98 -3,-1.3 170,-0.1 -4,-0.3 169,-0.1 -0.406 91.2 -75.0 -74.2 155.2 18.3 13.6 33.1 30 30 A V - 0 0 113 1,-0.2 -1,-0.2 -2,-0.1 168,-0.1 -0.242 45.0-169.1 -52.0 118.7 15.0 14.0 35.1 31 31 A A + 0 0 51 1,-0.2 167,-2.1 167,-0.1 2,-0.4 0.744 63.7 30.7 -85.6 -30.7 12.2 14.3 32.5 32 32 A K + 0 0 113 165,-0.2 -1,-0.2 1,-0.1 164,-0.0 -0.995 43.9 178.5-139.3 142.3 9.3 15.4 34.7 33 33 A K + 0 0 110 -2,-0.4 -1,-0.1 -3,-0.1 -3,-0.0 0.457 68.4 56.6-115.1 -3.9 8.9 17.4 37.8 34 34 A L S > S- 0 0 26 161,-0.1 3,-1.3 257,-0.0 4,-0.2 -0.966 82.9-108.1-133.3 146.1 5.1 17.4 38.4 35 35 A P T 3 S+ 0 0 55 0, 0.0 -2,-0.1 0, 0.0 254,-0.0 -0.426 107.3 10.1 -69.7 147.2 2.4 14.7 38.7 36 36 A Y T >> S+ 0 0 120 1,-0.1 4,-1.8 3,-0.1 3,-0.6 0.754 82.6 152.5 53.1 31.6 0.2 14.4 35.7 37 37 A Q H <> + 0 0 5 -3,-1.3 4,-2.5 1,-0.3 5,-0.1 0.848 66.4 57.6 -59.4 -35.3 2.6 16.8 33.9 38 38 A G H 3> S+ 0 0 38 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.865 105.4 48.6 -63.2 -37.8 1.6 15.3 30.5 39 39 A Q H <> S+ 0 0 25 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.890 112.0 50.1 -69.6 -38.4 -2.1 16.2 31.1 40 40 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.909 108.3 52.4 -63.4 -45.6 -1.1 19.7 32.0 41 41 A K H X S+ 0 0 24 -4,-2.5 4,-1.7 154,-0.3 -2,-0.2 0.943 114.6 42.6 -55.2 -50.5 1.1 20.1 28.9 42 42 A L H X S+ 0 0 9 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.897 112.1 53.5 -64.3 -45.3 -1.8 19.0 26.7 43 43 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.928 109.3 47.4 -59.1 -47.6 -4.4 21.1 28.6 44 44 A L H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.919 114.6 46.6 -61.2 -44.5 -2.5 24.4 28.3 45 45 A G H X S+ 0 0 4 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.894 115.4 43.4 -65.6 -45.3 -1.8 23.9 24.5 46 46 A E H X S+ 0 0 4 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.825 113.3 52.6 -71.3 -30.9 -5.3 22.9 23.5 47 47 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.918 112.0 46.9 -68.7 -43.2 -6.8 25.7 25.7 48 48 A F H X S+ 0 0 10 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.971 115.4 45.4 -59.9 -53.5 -4.5 28.2 24.0 49 49 A F H X S+ 0 0 1 -4,-2.6 4,-1.6 1,-0.2 3,-0.4 0.942 115.2 45.7 -56.2 -55.2 -5.4 26.8 20.5 50 50 A L H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.858 108.9 54.8 -59.3 -39.0 -9.2 26.7 21.1 51 51 A S H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.827 105.9 55.0 -65.8 -29.8 -9.3 30.2 22.7 52 52 A K H X S+ 0 0 26 -4,-1.5 4,-1.7 -3,-0.4 -1,-0.2 0.930 107.4 48.0 -66.3 -47.2 -7.7 31.5 19.5 53 53 A L H <>S+ 0 0 0 -4,-1.6 5,-2.7 2,-0.2 6,-0.7 0.831 108.3 55.1 -62.5 -35.1 -10.4 29.9 17.3 54 54 A Q H ><5S+ 0 0 50 -4,-1.7 3,-1.6 3,-0.2 -1,-0.2 0.935 105.9 53.0 -62.2 -44.8 -13.0 31.4 19.6 55 55 A R H 3<5S+ 0 0 112 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.866 110.9 45.6 -57.7 -40.6 -11.4 34.8 19.0 56 56 A H T 3<5S- 0 0 109 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.374 115.6-117.5 -85.7 2.2 -11.7 34.2 15.2 57 57 A G T < 5S+ 0 0 58 -3,-1.6 -3,-0.2 -5,-0.2 -2,-0.1 0.655 84.1 113.7 71.3 20.8 -15.3 33.0 15.6 58 58 A I < + 0 0 51 -5,-2.7 -4,-0.2 -6,-0.2 107,-0.1 0.492 59.3 67.5-104.1 2.0 -14.6 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 74.1 89.5 -84.8 -49.7 -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 -0.244 100.7 12.0 -55.7 127.5 -19.0 27.9 18.1 61 61 A G T 3 S+ 0 0 52 27,-3.2 71,-0.5 1,-0.3 -1,-0.3 0.416 99.7 127.4 86.3 -0.9 -21.0 25.2 16.3 62 62 A A < - 0 0 1 -3,-2.3 28,-1.8 26,-0.4 2,-0.5 -0.384 56.7-132.5 -87.3 164.1 -18.0 23.1 15.5 63 63 A T E -de 90 133B 1 69,-2.4 71,-2.4 26,-0.2 2,-0.7 -0.986 18.7-145.7-113.0 119.8 -17.4 19.4 16.2 64 64 A V E -de 91 134B 0 26,-3.0 28,-2.6 -2,-0.5 2,-0.7 -0.834 10.2-162.8 -89.1 114.8 -13.9 18.8 17.7 65 65 A V E -de 92 135B 0 69,-2.7 71,-2.6 -2,-0.7 2,-0.6 -0.909 8.2-171.7 -98.7 111.8 -12.6 15.4 16.4 66 66 A Y E -de 93 136B 0 26,-2.4 28,-2.8 -2,-0.7 2,-0.5 -0.950 1.9-167.4-110.3 113.0 -9.8 14.4 18.8 67 67 A I E S+de 94 137B 0 69,-2.5 71,-2.6 -2,-0.6 72,-0.4 -0.900 76.6 25.1-103.7 127.4 -7.8 11.3 17.6 68 68 A G S S+ 0 0 0 26,-2.8 -1,-0.2 -2,-0.5 27,-0.2 0.827 81.0 147.9 85.2 39.9 -5.5 9.7 20.1 69 69 A S + 0 0 0 25,-1.0 6,-0.2 -3,-0.5 26,-0.1 0.583 22.0 144.9 -83.6 -15.1 -7.6 11.1 23.0 70 70 A A + 0 0 0 1,-0.2 29,-0.2 24,-0.1 2,-0.1 -0.542 69.4 9.1 -83.5 141.5 -7.2 8.4 25.7 71 71 A P S S+ 0 0 43 0, 0.0 29,-2.7 0, 0.0 -1,-0.2 -0.920 83.3 173.2 -66.6 -34.4 -7.1 8.6 28.7 72 72 A G >> + 0 0 0 27,-0.2 3,-1.8 -4,-0.1 4,-0.7 0.651 14.7 151.7 74.6 21.6 -8.1 12.2 28.0 73 73 A T H >> S+ 0 0 35 1,-0.3 3,-1.6 2,-0.2 4,-0.6 0.894 73.2 52.8 -47.9 -51.6 -8.6 13.3 31.7 74 74 A H H 3> S+ 0 0 0 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.674 94.3 72.0 -60.6 -23.0 -7.6 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 0.811 87.9 62.6 -65.1 -29.6 -10.2 17.0 28.0 76 76 A R H S+ 0 0 1 -4,-2.0 5,-2.0 2,-0.2 4,-0.6 0.872 115.2 57.3 -77.7 -33.2 -16.2 26.2 26.8 83 83 A Y H ><5S+ 0 0 121 -4,-2.5 3,-1.1 -5,-0.3 -2,-0.2 0.917 108.4 48.3 -60.2 -44.1 -19.6 24.6 27.9 84 84 A N H 3<5S+ 0 0 104 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.682 104.8 58.9 -73.2 -17.0 -19.7 27.1 30.8 85 85 A L H 3<5S- 0 0 38 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.595 118.9-109.6 -86.2 -9.3 -18.9 30.0 28.5 86 86 A G T <<5 + 0 0 51 -3,-1.1 2,-0.3 -4,-0.6 -3,-0.2 0.489 69.5 145.5 95.0 3.4 -22.0 29.2 26.4 87 87 A V < - 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