==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 27-SEP-06 2J6B . COMPND 2 MOLECULE: AFV3-109; . SOURCE 2 ORGANISM_SCIENTIFIC: ACIDIANUS FILAMENTOUS VIRUS 1; . AUTHOR J.KELLER,N.LEULLIOT,C.CAMBILLAU,V.CAMPANACCI,S.PORCIERO, . 109 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6631.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 13.8 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 . 13 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 71 0, 0.0 73,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 142.2 -17.3 20.8 21.7 2 2 A L E -ab 39 74A 0 36,-0.8 38,-2.2 71,-0.2 2,-0.4 -0.885 360.0-166.4 -93.5 123.1 -20.1 20.7 19.1 3 3 A Y E -ab 40 75A 37 71,-2.6 73,-3.0 -2,-0.5 2,-0.6 -0.893 14.8-145.6-110.2 143.2 -20.8 24.2 17.7 4 4 A I E -ab 41 76A 0 36,-2.1 38,-2.9 -2,-0.4 2,-0.3 -0.949 25.5-174.3-107.5 118.6 -23.9 25.2 15.7 5 5 A L E - b 0 77A 8 71,-2.5 73,-2.5 -2,-0.6 38,-0.2 -0.826 29.8-137.4-117.4 151.8 -22.9 27.8 13.1 6 6 A N S S+ 0 0 31 36,-0.4 74,-0.3 -2,-0.3 2,-0.3 0.346 88.3 29.1 -92.2 5.4 -25.1 29.9 10.6 7 7 A S S S- 0 0 48 72,-0.1 2,-1.4 2,-0.1 71,-0.2 -0.939 95.6 -93.1-151.4 169.2 -22.7 29.5 7.6 8 8 A A + 0 0 50 -2,-0.3 2,-0.2 69,-0.1 71,-0.1 -0.181 70.0 149.2 -81.6 45.8 -20.2 26.8 6.4 9 9 A I - 0 0 90 -2,-1.4 -2,-0.1 2,-0.0 -4,-0.1 -0.550 40.2-155.7 -86.2 146.3 -17.3 28.6 8.1 10 10 A L - 0 0 71 -2,-0.2 2,-1.9 2,-0.1 -2,-0.1 -0.826 12.5-174.3-119.9 81.3 -14.3 26.7 9.5 11 11 A P - 0 0 21 0, 0.0 58,-2.4 0, 0.0 2,-0.1 -0.501 16.5-171.8 -84.0 72.6 -13.0 29.1 12.2 12 12 A L B -e 69 0B 50 -2,-1.9 58,-0.2 56,-0.2 -2,-0.1 -0.373 25.5-115.3 -73.8 140.4 -9.8 27.2 13.0 13 13 A K - 0 0 113 56,-2.5 3,-0.5 -2,-0.1 -1,-0.1 -0.549 36.5-120.4 -68.6 129.8 -7.5 28.1 15.9 14 14 A P S S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.237 86.0 63.0 -67.6 162.8 -4.1 29.2 14.6 15 15 A G S S+ 0 0 87 1,-0.2 2,-0.3 0, 0.0 -2,-0.0 0.358 95.7 58.3 109.1 -1.2 -1.0 27.3 15.7 16 16 A E S S- 0 0 77 -3,-0.5 2,-0.3 2,-0.0 -1,-0.2 -0.967 73.0-121.4-152.9 153.6 -1.7 23.9 14.1 17 17 A E - 0 0 187 -2,-0.3 2,-0.3 -3,-0.1 0, 0.0 -0.801 37.1-155.3 -95.9 152.2 -2.5 22.2 10.8 18 18 A Y - 0 0 45 -2,-0.3 2,-0.4 2,-0.0 90,-0.0 -0.891 23.4-149.9-132.5 154.8 -5.8 20.3 10.5 19 19 A T - 0 0 86 90,-2.2 90,-2.5 -2,-0.3 2,-0.5 -0.996 25.1-165.9-118.2 127.1 -7.6 17.5 8.8 20 20 A V E -C 108 0A 45 -2,-0.4 2,-0.4 88,-0.2 88,-0.2 -0.972 10.4-152.4-120.3 126.1 -11.3 18.1 8.6 21 21 A K E -C 107 0A 125 86,-2.3 86,-2.6 -2,-0.5 2,-0.4 -0.798 20.1-171.9 -91.1 139.9 -13.9 15.5 7.6 22 22 A A E +C 106 0A 60 -2,-0.4 2,-0.3 84,-0.2 84,-0.2 -0.996 14.1 154.7-139.6 132.6 -17.1 16.9 6.0 23 23 A K E -C 105 0A 103 82,-1.7 82,-3.0 -2,-0.4 2,-0.3 -0.989 39.1-114.3-152.1 151.1 -20.4 15.4 5.1 24 24 A E E -C 104 0A 103 -2,-0.3 2,-0.3 80,-0.2 80,-0.3 -0.625 36.1-166.6 -81.8 143.9 -24.0 16.5 4.6 25 25 A I E -C 103 0A 12 78,-2.9 78,-0.6 -2,-0.3 2,-0.1 -0.888 18.4-109.7-130.9 161.0 -26.5 15.2 7.0 26 26 A T > - 0 0 77 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.347 35.5-105.5 -79.5 165.1 -30.3 15.0 7.3 27 27 A I H > S+ 0 0 72 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.908 122.1 53.4 -53.9 -43.7 -32.4 16.9 9.8 28 28 A Q H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.915 108.8 47.4 -64.1 -42.6 -32.9 13.7 11.8 29 29 A E H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 113.3 49.2 -62.6 -40.2 -29.2 13.1 12.0 30 30 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.895 109.2 52.8 -65.6 -40.5 -28.7 16.7 13.1 31 31 A K H X S+ 0 0 74 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.928 109.8 48.1 -58.5 -46.7 -31.4 16.4 15.7 32 32 A E H X S+ 0 0 100 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.909 110.1 53.0 -63.0 -42.6 -29.8 13.3 17.1 33 33 A L H X S+ 0 0 21 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.945 113.9 40.0 -55.2 -53.8 -26.4 15.0 17.2 34 34 A V H < S+ 0 0 5 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.697 114.6 54.1 -77.9 -17.7 -27.6 18.1 19.2 35 35 A T H < S+ 0 0 75 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.879 108.5 47.4 -78.3 -38.2 -29.8 16.1 21.4 36 36 A K H < S+ 0 0 170 -4,-2.0 2,-0.3 -5,-0.2 -2,-0.2 0.448 116.1 29.9 -92.6 -4.0 -27.1 13.6 22.6 37 37 A E S < S- 0 0 73 -4,-0.7 2,-0.1 -5,-0.1 -1,-0.0 -0.990 89.8 -88.5-145.7 162.2 -24.3 16.1 23.5 38 38 A Q - 0 0 142 -2,-0.3 -36,-0.8 1,-0.0 2,-0.3 -0.368 45.8-167.2 -60.9 137.8 -23.8 19.6 24.7 39 39 A F E -a 2 0A 44 -5,-0.1 2,-0.5 -38,-0.1 -36,-0.2 -0.921 17.1-145.1-125.2 161.4 -23.7 22.2 21.9 40 40 A T E -a 3 0A 40 -38,-2.2 -36,-2.1 -2,-0.3 2,-0.4 -0.988 18.2-145.8-122.8 114.8 -22.7 25.8 21.7 41 41 A S E +a 4 0A 7 -2,-0.5 -36,-0.2 -38,-0.2 24,-0.1 -0.674 24.4 172.4 -76.7 134.2 -24.7 27.9 19.4 42 42 A A + 0 0 8 -38,-2.9 -36,-0.4 -2,-0.4 2,-0.2 -0.103 27.2 151.4-120.7 32.3 -22.9 30.7 17.6 43 43 A I B -f 62 0C 0 18,-0.5 20,-2.1 -38,-0.2 -38,-0.1 -0.457 25.7-170.2 -66.8 130.0 -25.9 31.5 15.4 44 44 A G + 0 0 6 -2,-0.2 2,-0.3 18,-0.2 -1,-0.1 0.165 57.9 64.5-116.9 16.0 -25.8 35.1 14.4 45 45 A H S > S- 0 0 49 1,-0.1 4,-2.1 18,-0.0 5,-0.2 -0.994 70.9-135.8-139.8 135.5 -29.2 35.8 12.8 46 46 A Q H > S+ 0 0 130 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.905 103.9 49.2 -55.9 -49.3 -32.6 35.6 14.4 47 47 A A H > S+ 0 0 2 43,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.870 110.1 51.9 -64.2 -34.6 -34.4 33.8 11.6 48 48 A T H > S+ 0 0 6 42,-0.2 4,-2.6 2,-0.2 5,-0.2 0.917 110.4 48.4 -68.2 -40.0 -31.6 31.2 11.4 49 49 A A H X S+ 0 0 7 -4,-2.1 4,-2.5 2,-0.2 11,-0.3 0.908 112.9 48.8 -62.9 -41.3 -31.9 30.6 15.2 50 50 A E H X S+ 0 0 85 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.921 113.1 46.4 -65.2 -45.0 -35.7 30.3 14.9 51 51 A L H X S+ 0 0 7 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.941 114.3 46.6 -64.0 -47.6 -35.5 27.9 11.9 52 52 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 6,-0.3 0.905 109.7 54.3 -64.0 -40.2 -32.8 25.7 13.5 53 53 A S H X>S+ 0 0 32 -4,-2.5 4,-1.4 7,-0.3 5,-0.8 0.931 112.7 45.0 -56.1 -43.8 -34.7 25.6 16.8 54 54 A S H <5S+ 0 0 93 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.945 116.7 41.0 -65.5 -52.7 -37.8 24.3 14.9 55 55 A I H <5S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.843 122.4 41.0 -72.9 -29.7 -36.2 21.7 12.7 56 56 A L H <5S- 0 0 0 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.623 98.4-133.7 -90.9 -15.6 -33.9 20.4 15.5 57 57 A G T <5S+ 0 0 53 -4,-1.4 2,-0.3 -5,-0.3 -3,-0.2 0.783 71.8 97.4 67.8 27.0 -36.5 20.5 18.4 58 58 A V S - 0 0 28 -2,-0.4 3,-2.2 -58,-0.2 38,-0.2 -0.729 49.0 -34.8-143.1-172.5 -9.6 23.0 17.2 71 71 A H T 3 S+ 0 0 99 1,-0.3 38,-0.3 -2,-0.2 -1,-0.1 -0.247 126.0 22.8 -54.4 135.1 -8.8 19.3 17.3 72 72 A G T 3 S+ 0 0 52 36,-2.5 -1,-0.3 1,-0.3 37,-0.1 0.177 97.3 116.1 93.3 -14.7 -11.7 17.3 18.7 73 73 A D < - 0 0 19 -3,-2.2 35,-2.5 35,-0.2 -1,-0.3 -0.422 47.3-157.1 -83.9 160.6 -14.4 19.8 17.9 74 74 A R E -bD 2 107A 65 -73,-2.3 -71,-2.6 33,-0.2 2,-0.4 -0.966 2.0-150.5-133.4 152.8 -17.3 19.4 15.6 75 75 A I E -bD 3 106A 0 31,-2.5 31,-2.6 -2,-0.3 2,-0.6 -0.994 7.7-159.4-125.5 128.9 -19.4 21.9 13.7 76 76 A L E -bD 4 105A 1 -73,-3.0 -71,-2.5 -2,-0.4 2,-0.5 -0.960 29.3-163.5 -95.5 113.6 -23.1 21.5 12.6 77 77 A A E -bD 5 104A 0 27,-3.0 27,-2.4 -2,-0.6 2,-0.6 -0.890 20.1-147.9-110.5 128.5 -23.2 24.1 9.8 78 78 A F E - D 0 103A 4 -73,-2.5 2,-0.6 -2,-0.5 25,-0.2 -0.858 22.3-168.5 -86.0 116.9 -26.3 25.7 8.3 79 79 A M E - D 0 102A 50 23,-2.9 23,-2.2 -2,-0.6 -72,-0.1 -0.916 12.4-143.8-117.2 106.3 -25.4 26.4 4.7 80 80 A L E - D 0 101A 36 -2,-0.6 21,-0.3 -74,-0.3 -72,-0.1 -0.373 15.9-130.4 -65.2 144.9 -27.8 28.5 2.7 81 81 A K S S+ 0 0 111 19,-2.8 2,-0.3 -2,-0.1 20,-0.1 0.509 86.0 45.3 -81.5 -4.1 -28.1 27.4 -1.0 82 82 A Q S S- 0 0 117 18,-0.3 2,-0.4 0, 0.0 -2,-0.1 -0.950 82.0-116.8-133.6 155.8 -27.5 30.9 -2.4 83 83 A R - 0 0 239 -2,-0.3 -2,-0.0 1,-0.0 0, 0.0 -0.747 33.6-137.4 -88.8 139.5 -25.2 33.8 -1.7 84 84 A L - 0 0 56 -2,-0.4 3,-0.1 1,-0.1 -1,-0.0 -0.608 23.6 -95.3 -96.0 155.1 -26.9 37.0 -0.5 85 85 A P > - 0 0 87 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.243 64.1 -67.9 -60.6 160.7 -26.1 40.6 -1.5 86 86 A E T 3 S+ 0 0 201 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.239 118.3 1.3 -54.7 130.8 -23.7 42.6 0.6 87 87 A G T 3 S+ 0 0 82 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.296 94.7 139.0 78.1 -9.4 -25.1 43.4 4.1 88 88 A V < - 0 0 68 -3,-1.8 2,-0.4 1,-0.0 -1,-0.2 -0.489 32.2-169.0 -76.2 134.6 -28.4 41.5 3.5 89 89 A V - 0 0 53 -2,-0.2 2,-0.5 -3,-0.1 -44,-0.0 -0.990 24.3-126.6-120.0 130.1 -29.8 39.4 6.3 90 90 A V - 0 0 8 -2,-0.4 -43,-0.4 1,-0.1 -42,-0.2 -0.667 23.9-169.5 -78.1 124.1 -32.7 37.1 5.6 91 91 A K + 0 0 161 -2,-0.5 2,-0.4 -44,-0.1 -1,-0.1 0.518 58.2 58.4 -99.0 -7.7 -35.4 38.0 8.2 92 92 A T > - 0 0 60 1,-0.1 4,-1.8 -46,-0.0 5,-0.1 -0.954 65.7-140.9-126.6 143.6 -37.9 35.2 7.8 93 93 A T H > S+ 0 0 36 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.841 105.9 64.0 -63.0 -30.3 -37.7 31.4 8.2 94 94 A E H > S+ 0 0 127 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.924 103.9 44.3 -61.7 -44.5 -40.1 31.3 5.1 95 95 A E H > S+ 0 0 80 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.917 110.6 54.8 -68.0 -41.0 -37.4 32.9 2.9 96 96 A L H X S+ 0 0 4 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.912 109.5 48.5 -55.6 -42.4 -34.7 30.7 4.3 97 97 A E H < S+ 0 0 91 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.876 110.9 49.1 -66.6 -39.9 -36.8 27.7 3.4 98 98 A K H < S+ 0 0 178 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.889 113.4 46.3 -68.1 -39.7 -37.5 28.9 -0.2 99 99 A I H < S- 0 0 18 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.928 110.7-143.3 -62.8 -44.2 -33.8 29.6 -0.7 100 100 A G < - 0 0 15 -4,-2.4 -19,-2.8 -5,-0.3 2,-0.3 0.035 16.0-143.0 92.8 156.3 -33.1 26.2 0.7 101 101 A Y E - D 0 80A 36 -21,-0.3 2,-0.3 -4,-0.1 -21,-0.2 -0.966 5.7-140.1-151.6 161.6 -30.3 25.0 2.9 102 102 A E E - D 0 79A 32 -23,-2.2 -23,-2.9 -2,-0.3 2,-0.5 -0.951 15.0-139.5-121.9 146.8 -27.9 22.1 3.7 103 103 A L E -CD 25 78A 5 -78,-0.6 -78,-2.9 -2,-0.3 2,-0.4 -0.944 24.9-171.6-106.1 123.8 -26.8 20.8 7.0 104 104 A W E -CD 24 77A 64 -27,-2.4 -27,-3.0 -2,-0.5 2,-0.5 -0.896 16.4-149.0-117.1 144.5 -23.2 19.9 7.2 105 105 A L E -CD 23 76A 10 -82,-3.0 -82,-1.7 -2,-0.4 2,-0.5 -0.967 14.3-170.4-112.0 118.9 -21.1 18.1 9.8 106 106 A F E -CD 22 75A 26 -31,-2.6 -31,-2.5 -2,-0.5 2,-0.5 -0.937 4.9-162.9-108.1 131.4 -17.5 19.1 10.0 107 107 A E E -CD 21 74A 65 -86,-2.6 -86,-2.3 -2,-0.5 2,-0.5 -0.971 11.7-150.8-118.1 116.4 -15.2 17.0 12.3 108 108 A I E C 20 0A 3 -35,-2.5 -36,-2.5 -2,-0.5 -88,-0.2 -0.772 360.0 360.0 -96.5 126.7 -11.9 18.8 13.1 109 109 A Q 0 0 132 -90,-2.5 -90,-2.2 -2,-0.5 -38,-0.1 -0.886 360.0 360.0-133.8 360.0 -8.7 16.8 13.8