==== 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 VIRAL PROTEIN/TRANSFERASE 06-SEP-05 2C0N . COMPND 2 MOLECULE: A197; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TURRETED ICOSAHEDRAL VIRUS; . AUTHOR E.T.LARSON,D.REITER,M.YOUNG,C.M.LAWRENCE . 191 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 15 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 19.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 0 0 0 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 PARALLEL BRIDGES PER LADDER . 2 3 2 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 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 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 X 0 0 71 0, 0.0 2,-0.5 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 132.0 49.2 4.4 30.0 2 2 A R - 0 0 132 51,-0.1 53,-2.7 2,-0.0 54,-1.7 -0.969 360.0-160.1-118.3 125.1 47.7 5.8 33.1 3 3 A T E -a 56 0A 15 -2,-0.5 2,-0.6 52,-0.2 24,-0.5 -0.865 10.5-160.5-113.8 133.0 47.2 9.6 33.3 4 4 A L E -a 57 0A 4 52,-2.5 54,-2.5 -2,-0.4 2,-0.4 -0.964 17.6-146.2-111.1 117.2 46.8 11.8 36.3 5 5 A F E -ab 58 28A 4 22,-2.7 24,-2.4 -2,-0.6 2,-0.5 -0.692 8.2-162.5 -84.0 131.5 45.2 15.2 35.6 6 6 A F E -ab 59 29A 0 52,-3.3 54,-2.1 -2,-0.4 24,-0.2 -0.971 6.1-168.2-116.3 122.6 46.3 18.2 37.6 7 7 A I E - b 0 30A 0 22,-2.6 24,-2.4 -2,-0.5 2,-0.3 -0.916 12.3-147.2-117.1 102.3 43.8 21.1 37.3 8 8 A P E + b 0 31A 11 0, 0.0 54,-1.1 0, 0.0 2,-0.3 -0.543 32.0 177.8 -66.6 122.1 45.1 24.5 38.7 9 9 A S - 0 0 6 22,-2.0 25,-0.2 -2,-0.3 4,-0.1 -0.821 45.8-134.7-121.2 172.7 42.0 26.2 40.1 10 10 A X S S- 0 0 130 2,-0.5 22,-0.1 -2,-0.3 3,-0.1 0.128 82.3 -72.5-104.0 16.9 41.0 29.4 41.9 11 11 A G S S+ 0 0 60 20,-0.3 2,-0.3 1,-0.3 21,-0.1 0.352 112.2 65.5 109.2 -0.9 38.8 27.3 44.3 12 12 A S - 0 0 83 2,-0.0 -2,-0.5 20,-0.0 2,-0.4 -0.974 62.7-141.9-142.8 162.1 35.9 26.3 42.1 13 13 A V - 0 0 29 -2,-0.3 50,-0.1 -4,-0.1 -4,-0.0 -0.994 24.4-124.2-125.8 127.0 35.3 24.2 39.0 14 14 A R >> - 0 0 39 -2,-0.4 4,-1.9 48,-0.4 3,-0.9 -0.320 27.1-113.3 -65.7 149.9 32.8 25.2 36.3 15 15 A L H 3> S+ 0 0 88 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.847 112.1 59.7 -55.9 -46.2 30.1 22.6 35.4 16 16 A P H 3> S+ 0 0 15 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.873 108.2 46.6 -55.9 -34.5 31.3 21.8 31.9 17 17 A L H <> S+ 0 0 0 -3,-0.9 4,-2.7 2,-0.2 -2,-0.2 0.919 109.3 54.0 -72.4 -39.2 34.6 20.6 33.3 18 18 A I H X S+ 0 0 61 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.920 108.4 51.4 -55.3 -44.2 32.9 18.6 36.1 19 19 A D H X S+ 0 0 25 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.917 109.1 48.5 -62.0 -43.9 30.9 16.9 33.3 20 20 A F H X S+ 0 0 16 -4,-1.6 4,-1.8 -5,-0.2 6,-0.3 0.919 112.1 50.7 -58.5 -46.7 34.0 16.1 31.4 21 21 A L H <>S+ 0 0 10 -4,-2.7 5,-2.0 2,-0.2 -2,-0.2 0.903 116.5 39.6 -59.2 -43.2 35.6 14.7 34.6 22 22 A V H ><5S+ 0 0 58 -4,-2.5 3,-1.4 2,-0.2 -2,-0.2 0.941 114.7 50.1 -72.0 -51.1 32.6 12.4 35.4 23 23 A K H 3<5S+ 0 0 144 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.813 116.5 42.0 -62.2 -30.8 31.8 11.3 31.9 24 24 A N T 3<5S- 0 0 88 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.279 103.5-123.6-105.1 10.3 35.4 10.2 31.2 25 25 A D T < 5 - 0 0 146 -3,-1.4 -3,-0.2 -4,-0.2 -4,-0.1 0.842 45.3-174.3 55.0 41.4 36.2 8.6 34.5 26 26 A I < - 0 0 20 -5,-2.0 2,-0.5 -6,-0.3 -1,-0.2 -0.368 22.7-142.1 -77.2 139.4 39.1 10.9 34.9 27 27 A E + 0 0 68 -24,-0.5 -22,-2.7 -2,-0.1 2,-0.3 -0.883 41.2 153.6 -96.4 130.6 41.6 10.6 37.8 28 28 A Y E -b 5 0A 111 -2,-0.5 2,-0.4 -24,-0.2 -22,-0.2 -0.956 47.2-139.8-151.8 165.0 42.7 14.1 39.0 29 29 A V E -b 6 0A 30 -24,-2.4 -22,-2.6 -2,-0.3 2,-0.6 -0.981 20.7-155.7-128.7 118.4 43.9 16.5 41.6 30 30 A I E -b 7 0A 59 -2,-0.4 2,-0.4 -24,-0.2 -24,-0.1 -0.878 20.3-139.2 -92.5 121.8 42.2 19.8 41.5 31 31 A L E -b 8 0A 11 -24,-2.4 -22,-2.0 -2,-0.6 -20,-0.3 -0.719 9.8-130.6 -91.9 127.2 44.7 22.3 43.1 32 32 A S - 0 0 69 -2,-0.4 -23,-0.1 1,-0.2 -22,-0.1 -0.201 45.3 -72.3 -65.7 164.3 43.4 24.9 45.5 33 33 A R + 0 0 156 -25,-0.1 2,-0.2 2,-0.1 -1,-0.2 -0.278 57.7 171.8 -65.3 140.0 44.5 28.5 45.0 34 34 A R - 0 0 135 -25,-0.2 3,-0.1 -3,-0.1 -1,-0.0 -0.687 53.0 -74.5-128.2-169.1 48.1 29.4 45.8 35 35 A N S S- 0 0 144 -2,-0.2 2,-0.3 1,-0.2 -2,-0.1 0.854 110.9 -9.5 -53.3 -38.9 50.2 32.5 45.3 36 36 A H >> - 0 0 84 1,-0.1 4,-1.5 102,-0.0 3,-1.0 -0.986 70.0-105.9-162.0 154.1 50.6 31.8 41.6 37 37 A V H 3> S+ 0 0 41 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.837 116.5 63.1 -58.8 -32.4 49.9 29.1 39.1 38 38 A A H 3> S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.882 101.2 51.5 -61.1 -35.4 53.6 28.3 38.9 39 39 A V H <> S+ 0 0 56 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.914 109.5 49.8 -68.3 -41.0 53.4 27.3 42.6 40 40 A Q H X S+ 0 0 9 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.911 109.7 51.3 -62.0 -40.6 50.4 25.0 41.8 41 41 A R H X S+ 0 0 5 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.884 109.3 49.8 -67.2 -34.9 52.3 23.4 38.9 42 42 A E H X S+ 0 0 26 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.901 109.9 50.1 -67.1 -43.1 55.3 22.7 41.1 43 43 A I H X S+ 0 0 55 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.933 109.5 53.2 -56.2 -46.1 53.1 21.1 43.8 44 44 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.936 108.5 48.8 -54.8 -52.8 51.5 19.0 41.0 45 45 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.907 111.5 50.2 -52.8 -47.4 55.0 17.8 39.8 46 46 A D H X S+ 0 0 67 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.896 114.4 42.9 -58.5 -46.7 56.0 16.9 43.4 47 47 A X H >X S+ 0 0 73 -4,-2.5 4,-1.2 2,-0.2 3,-0.6 0.948 114.0 51.9 -64.8 -48.2 52.8 14.9 44.0 48 48 A F H >< S+ 0 0 0 -4,-3.1 3,-0.8 1,-0.2 6,-0.2 0.902 103.9 55.9 -55.0 -47.5 52.9 13.2 40.6 49 49 A L H 3< S+ 0 0 10 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.820 108.8 47.9 -61.2 -32.4 56.5 12.0 41.0 50 50 A E H << S+ 0 0 145 -4,-1.0 2,-1.5 -3,-0.6 -1,-0.3 0.758 95.2 78.0 -76.8 -23.2 55.6 10.2 44.2 51 51 A X X< + 0 0 66 -4,-1.2 3,-2.3 -3,-0.8 -1,-0.2 -0.546 62.1 178.6 -91.8 78.2 52.5 8.6 42.6 52 52 A K T 3 + 0 0 129 -2,-1.5 -1,-0.2 1,-0.3 -3,-0.0 0.574 68.0 71.0 -65.6 -14.4 54.3 5.8 40.7 53 53 A D T 3 S+ 0 0 130 -3,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.701 86.1 81.3 -72.9 -12.8 51.2 4.2 39.2 54 54 A Y < - 0 0 36 -3,-2.3 -51,-0.2 -6,-0.2 3,-0.1 -0.793 53.6-178.3-103.0 133.4 50.7 7.2 37.0 55 55 A D + 0 0 72 -53,-2.7 70,-2.6 -2,-0.4 2,-0.4 0.609 68.6 42.8 -99.0 -26.5 52.7 7.3 33.8 56 56 A T E -aC 3 124A 2 -54,-1.7 -52,-2.5 68,-0.2 2,-0.6 -0.996 62.9-149.9-134.8 131.0 51.6 10.7 32.5 57 57 A L E -aC 4 123A 1 66,-2.6 66,-2.9 -2,-0.4 2,-0.6 -0.927 19.6-166.2 -97.6 117.5 51.0 14.1 34.2 58 58 A A E -aC 5 122A 0 -54,-2.5 -52,-3.3 -2,-0.6 2,-0.5 -0.941 5.7-155.5-105.3 120.1 48.3 15.9 32.3 59 59 A F E +aC 6 121A 1 62,-2.8 62,-2.5 -2,-0.6 2,-0.4 -0.871 16.5 175.8 -90.2 131.0 47.8 19.6 33.1 60 60 A L E - C 0 120A 0 -54,-2.1 60,-0.2 -2,-0.5 59,-0.1 -0.975 26.5-133.1-136.7 114.2 44.3 20.9 32.3 61 61 A D > - 0 0 31 58,-1.8 3,-2.1 -2,-0.4 -52,-0.1 -0.383 26.1-116.8 -64.9 146.8 43.4 24.5 33.2 62 62 A E T 3 S+ 0 0 19 -54,-1.1 -48,-0.4 1,-0.3 -45,-0.2 0.673 115.7 51.1 -63.2 -18.1 40.1 24.7 35.0 63 63 A D T 3 S+ 0 0 30 -50,-0.1 102,-2.6 -46,-0.1 2,-0.5 0.258 92.5 89.4-100.7 13.3 38.7 26.7 32.1 64 64 A V E < -D 164 0A 0 -3,-2.1 100,-0.2 100,-0.2 25,-0.0 -0.950 54.6-174.9-113.3 123.3 39.8 24.2 29.4 65 65 A V E -D 163 0A 11 98,-2.6 98,-2.6 -2,-0.5 -48,-0.1 -0.932 21.4-132.0-124.2 105.7 37.3 21.4 28.6 66 66 A P E -D 162 0A 8 0, 0.0 96,-0.3 0, 0.0 3,-0.2 -0.247 12.1-164.0 -59.6 141.1 38.4 18.7 26.2 67 67 A I E S- 0 0 79 94,-3.4 2,-0.3 1,-0.5 95,-0.2 0.858 77.4 -9.1 -87.5 -52.5 36.1 17.8 23.4 68 68 A E E -D 161 0A 125 93,-1.1 93,-1.1 91,-0.1 -1,-0.5 -0.983 57.0-164.2-144.3 150.4 37.9 14.6 22.6 69 69 A I - 0 0 20 -2,-0.3 2,-1.0 -3,-0.2 91,-0.1 -0.981 8.2-158.9-129.0 119.5 41.1 13.0 23.7 70 70 A D > - 0 0 55 -2,-0.4 4,-1.7 89,-0.2 3,-0.5 -0.855 14.1-175.2 -94.4 92.2 42.5 10.1 21.7 71 71 A F H > S+ 0 0 68 -2,-1.0 4,-2.9 1,-0.2 -1,-0.2 0.767 79.5 58.5 -64.2 -30.8 44.7 8.7 24.5 72 72 A Q H > S+ 0 0 131 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.890 104.9 50.0 -68.2 -33.9 46.2 6.1 22.2 73 73 A K H > S+ 0 0 65 -3,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.879 112.1 48.1 -69.6 -39.3 47.4 8.9 19.9 74 74 A V H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.967 113.8 46.9 -58.9 -53.3 49.0 10.7 22.9 75 75 A E H X S+ 0 0 45 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.884 108.2 56.4 -57.7 -40.9 50.5 7.4 24.1 76 76 A A H X S+ 0 0 34 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.910 105.5 51.2 -56.9 -44.7 51.8 6.7 20.6 77 77 A K H X>S+ 0 0 36 -4,-1.8 5,-2.3 1,-0.2 4,-0.6 0.923 110.4 48.2 -63.1 -41.7 53.7 10.0 20.5 78 78 A F H ><5S+ 0 0 15 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.909 110.3 52.3 -62.6 -41.3 55.4 9.2 23.9 79 79 A N H 3<5S+ 0 0 121 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.834 105.3 56.0 -62.9 -33.5 56.3 5.8 22.6 80 80 A E H 3<5S- 0 0 116 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.589 132.1 -93.3 -76.8 -12.8 57.8 7.4 19.5 81 81 A G T <<5S+ 0 0 15 -3,-1.1 -3,-0.2 -4,-0.6 72,-0.2 0.470 76.4 141.0 113.9 10.8 60.0 9.5 21.9 82 82 A Y < - 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