==== 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 2J6C . 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) . 6770.0 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 . 12 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 2.8 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 79 0, 0.0 73,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 142.2 17.4 -10.0 -12.6 2 2 A L E -ab 39 74A 2 36,-0.8 38,-2.5 71,-0.2 2,-0.4 -0.872 360.0-164.8 -91.7 125.3 18.8 -11.1 -9.3 3 3 A Y E -ab 40 75A 39 71,-2.6 73,-2.9 -2,-0.5 2,-0.6 -0.912 11.8-144.5-112.2 140.9 22.2 -9.5 -8.6 4 4 A I E +ab 41 76A 2 36,-2.2 38,-2.9 -2,-0.4 2,-0.3 -0.910 27.1 175.3-107.0 118.3 24.7 -10.8 -5.9 5 5 A L E - b 0 77A 8 71,-2.3 73,-2.7 -2,-0.6 38,-0.2 -0.821 33.1-137.2-123.6 155.7 26.5 -7.9 -4.3 6 6 A N S S+ 0 0 49 36,-0.4 74,-0.3 -2,-0.3 2,-0.3 0.089 87.8 42.8-110.2 25.9 29.0 -7.8 -1.3 7 7 A S S S- 0 0 57 72,-0.1 2,-2.3 2,-0.1 71,-0.2 -0.927 96.4-101.7-149.6 162.5 27.7 -4.8 0.5 8 8 A A S S+ 0 0 43 -2,-0.3 2,-0.3 69,-0.1 71,-0.1 -0.347 71.4 149.8 -81.5 57.2 24.1 -3.9 1.2 9 9 A I - 0 0 80 -2,-2.3 -2,-0.1 2,-0.0 -4,-0.1 -0.672 41.6-156.0 -98.4 148.3 24.3 -1.4 -1.7 10 10 A L - 0 0 63 -2,-0.3 2,-2.0 2,-0.1 -2,-0.1 -0.848 7.4-172.9-122.2 86.2 21.4 -0.2 -3.9 11 11 A P - 0 0 22 0, 0.0 58,-2.4 0, 0.0 2,-0.1 -0.522 23.9-170.2 -80.1 75.1 22.9 1.0 -7.2 12 12 A L B -e 69 0B 54 -2,-2.0 58,-0.2 56,-0.2 -2,-0.1 -0.365 25.6-111.2 -75.6 143.4 19.6 2.3 -8.4 13 13 A K > - 0 0 114 56,-2.7 3,-0.6 -2,-0.1 -1,-0.1 -0.561 38.4-120.4 -70.1 126.2 19.0 3.4 -12.0 14 14 A P T 3 S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.192 87.8 55.3 -62.9 159.1 18.4 7.2 -12.0 15 15 A G T 3 S+ 0 0 71 1,-0.3 2,-0.3 0, 0.0 -2,-0.0 0.342 97.2 70.5 101.3 -5.0 15.2 8.7 -13.4 16 16 A E S < S- 0 0 114 -3,-0.6 2,-0.3 -4,-0.0 -1,-0.3 -0.923 70.2-127.6-138.1 160.2 12.8 6.8 -11.2 17 17 A E - 0 0 180 -2,-0.3 2,-0.3 -3,-0.1 0, 0.0 -0.826 32.3-155.1-104.4 153.0 11.6 6.5 -7.6 18 18 A Y - 0 0 47 -2,-0.3 2,-0.4 2,-0.0 90,-0.0 -0.915 22.4-153.8-131.5 152.6 11.6 3.1 -5.9 19 19 A T - 0 0 81 90,-2.7 90,-1.5 -2,-0.3 2,-0.5 -0.998 25.7-168.2-118.9 127.7 10.0 1.1 -3.2 20 20 A V E -C 108 0A 43 -2,-0.4 2,-0.4 88,-0.2 88,-0.2 -0.973 12.5-152.4-124.5 125.3 12.3 -1.6 -1.9 21 21 A K E -C 107 0A 127 86,-2.4 86,-2.7 -2,-0.5 2,-0.4 -0.790 20.5-170.9 -92.9 140.5 11.4 -4.4 0.4 22 22 A A E +C 106 0A 56 -2,-0.4 2,-0.3 84,-0.2 84,-0.2 -0.997 15.3 153.6-138.8 132.4 14.3 -5.7 2.5 23 23 A K E -C 105 0A 111 82,-1.7 82,-3.1 -2,-0.4 2,-0.2 -0.985 41.8-109.0-150.7 155.0 14.7 -8.7 4.8 24 24 A E E -C 104 0A 101 -2,-0.3 2,-0.3 80,-0.2 80,-0.3 -0.567 37.5-166.8 -80.4 141.5 17.6 -10.8 6.1 25 25 A I E -C 103 0A 9 78,-2.8 78,-0.6 -2,-0.2 2,-0.1 -0.867 17.2-112.9-124.0 165.7 17.7 -14.3 4.7 26 26 A T > - 0 0 76 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.417 30.9-106.3 -89.9 167.3 19.6 -17.4 5.6 27 27 A I H > S+ 0 0 55 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.906 123.3 53.7 -54.8 -42.5 22.3 -19.2 3.7 28 28 A Q H > S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.935 108.6 46.8 -62.5 -43.2 19.8 -21.9 2.8 29 29 A E H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.879 112.3 51.6 -62.7 -38.0 17.3 -19.3 1.4 30 30 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.895 107.3 53.0 -64.5 -40.5 20.2 -17.8 -0.5 31 31 A K H X S+ 0 0 66 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.924 107.4 51.6 -61.5 -43.4 21.1 -21.3 -1.9 32 32 A E H X S+ 0 0 96 -4,-2.2 4,-1.5 1,-0.2 3,-0.4 0.921 111.1 49.2 -58.5 -43.7 17.5 -21.6 -3.1 33 33 A L H X S+ 0 0 20 -4,-2.0 4,-1.7 1,-0.2 3,-0.3 0.943 113.8 42.1 -61.5 -51.6 17.7 -18.3 -4.8 34 34 A V H < S+ 0 0 7 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.563 117.1 48.7 -80.8 -5.7 21.0 -18.9 -6.7 35 35 A T H < S+ 0 0 68 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.693 120.9 32.3 -97.2 -24.3 20.0 -22.4 -7.6 36 36 A K H < S+ 0 0 175 -4,-1.5 2,-0.3 -3,-0.3 -2,-0.2 0.526 112.2 57.7-111.6 -10.4 16.5 -21.6 -8.9 37 37 A E S < S- 0 0 62 -4,-1.7 2,-0.1 -5,-0.2 -1,-0.0 -0.908 84.2-103.8-125.3 150.1 16.8 -18.1 -10.4 38 38 A Q + 0 0 155 -2,-0.3 -36,-0.8 -3,-0.0 2,-0.3 -0.449 50.8 178.8 -62.4 145.2 18.8 -16.4 -13.1 39 39 A F E -a 2 0A 61 -38,-0.1 2,-0.4 -5,-0.1 -36,-0.2 -0.994 28.6-150.9-152.0 152.4 21.5 -14.3 -11.4 40 40 A T E -a 3 0A 47 -38,-2.5 -36,-2.2 -2,-0.3 2,-0.4 -0.996 20.2-141.0-122.9 126.2 24.4 -12.0 -12.1 41 41 A S E +a 4 0A 5 -2,-0.4 -36,-0.1 -38,-0.2 24,-0.1 -0.695 24.6 171.6 -83.2 132.7 27.2 -11.8 -9.7 42 42 A A + 0 0 14 -38,-2.9 -36,-0.4 -2,-0.4 2,-0.3 -0.130 26.3 149.1-123.5 34.4 28.7 -8.4 -9.1 43 43 A I B -f 62 0C 0 18,-0.6 20,-2.9 -38,-0.2 -38,-0.1 -0.522 27.7-169.7 -70.9 131.5 30.9 -9.5 -6.2 44 44 A G + 0 0 12 -2,-0.3 2,-0.4 18,-0.2 -1,-0.1 0.250 61.6 73.6-108.7 14.2 34.1 -7.4 -6.1 45 45 A H > - 0 0 29 1,-0.1 4,-2.3 18,-0.1 5,-0.2 -0.988 64.4-151.4-138.6 120.4 36.0 -9.3 -3.5 46 46 A Q H > S+ 0 0 91 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.888 96.5 50.3 -64.1 -46.0 37.7 -12.7 -4.2 47 47 A A H > S+ 0 0 6 43,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.883 112.3 49.0 -62.5 -35.8 37.5 -14.0 -0.6 48 48 A T H > S+ 0 0 3 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.922 111.0 50.2 -67.6 -41.8 33.8 -13.1 -0.4 49 49 A A H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 11,-0.4 0.944 113.7 45.9 -59.6 -43.6 33.2 -14.8 -3.8 50 50 A E H X S+ 0 0 90 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.888 113.0 49.2 -67.7 -42.6 35.0 -17.9 -2.5 51 51 A L H X S+ 0 0 7 -4,-2.6 4,-2.7 -5,-0.2 5,-0.3 0.958 114.5 44.5 -60.4 -51.4 33.2 -17.9 0.8 52 52 A L H X S+ 0 0 4 -4,-2.9 4,-2.2 1,-0.2 6,-0.3 0.925 112.9 51.1 -59.8 -46.9 29.8 -17.6 -0.8 53 53 A S H X>S+ 0 0 28 -4,-2.7 4,-1.2 7,-0.3 5,-0.8 0.895 113.5 45.8 -58.3 -41.1 30.6 -20.2 -3.5 54 54 A S H <5S+ 0 0 99 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.935 116.8 42.3 -66.4 -48.9 31.7 -22.6 -0.7 55 55 A I H <5S+ 0 0 49 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.663 123.8 37.7 -75.2 -24.3 28.7 -22.1 1.6 56 56 A L H <5S- 0 0 4 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.589 99.0-133.1 -99.1 -13.3 26.1 -22.1 -1.2 57 57 A G T <5S+ 0 0 55 -4,-1.2 2,-0.3 -5,-0.3 -3,-0.2 0.829 70.7 108.3 59.6 35.3 27.8 -24.8 -3.3 58 58 A V S - 0 0 49 -2,-0.3 3,-2.2 -58,-0.2 38,-0.2 -0.644 44.2 -34.4-134.4-169.8 15.6 -1.1 -11.7 71 71 A H T 3 S+ 0 0 77 1,-0.3 38,-0.3 -2,-0.2 -1,-0.1 -0.281 125.3 18.1 -56.8 129.7 12.0 -2.1 -11.2 72 72 A G T 3 S+ 0 0 62 36,-2.4 -1,-0.3 1,-0.3 37,-0.1 0.244 96.6 120.4 94.3 -13.9 11.6 -5.9 -10.8 73 73 A D < - 0 0 15 -3,-2.2 35,-2.8 34,-0.1 -1,-0.3 -0.391 46.5-153.4 -76.0 160.5 15.2 -6.6 -9.9 74 74 A R E -bD 2 107A 65 -73,-2.5 -71,-2.6 33,-0.2 2,-0.4 -0.954 1.3-150.8-130.5 154.8 16.4 -8.2 -6.7 75 75 A I E -bD 3 106A 0 31,-2.3 31,-2.6 -2,-0.3 2,-0.7 -0.995 5.0-160.0-126.8 128.0 19.7 -7.9 -4.8 76 76 A L E -bD 4 105A 4 -73,-2.9 -71,-2.3 -2,-0.4 2,-0.5 -0.949 27.4-163.2 -99.9 110.1 21.2 -10.6 -2.6 77 77 A A E -bD 5 104A 0 27,-3.2 27,-2.7 -2,-0.7 2,-0.6 -0.883 19.0-152.2-106.3 127.3 23.6 -8.6 -0.5 78 78 A F E - D 0 103A 3 -73,-2.7 2,-0.5 -2,-0.5 25,-0.2 -0.864 24.1-175.9 -87.0 122.2 26.5 -10.0 1.6 79 79 A M E - D 0 102A 39 23,-2.9 23,-2.5 -2,-0.6 -72,-0.1 -0.970 21.6-133.7-128.2 118.7 27.0 -7.5 4.4 80 80 A L E - D 0 101A 54 -2,-0.5 21,-0.3 -74,-0.3 20,-0.1 -0.382 18.2-130.0 -64.3 147.7 29.8 -7.7 7.0 81 81 A K S S+ 0 0 111 19,-2.8 2,-0.4 -2,-0.1 20,-0.1 0.495 90.0 50.1 -81.5 -7.5 28.6 -7.2 10.6 82 82 A Q S S- 0 0 114 18,-0.4 2,-0.4 0, 0.0 -2,-0.1 -0.980 85.9-118.8-129.5 147.0 31.3 -4.6 11.3 83 83 A R - 0 0 236 -2,-0.4 -2,-0.1 3,-0.0 3,-0.0 -0.702 28.3-156.4 -83.1 130.4 32.3 -1.5 9.4 84 84 A L - 0 0 57 -2,-0.4 3,-0.1 4,-0.1 -4,-0.0 -0.802 27.1 -96.0-103.9 151.4 35.8 -1.5 8.1 85 85 A P > - 0 0 86 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.273 52.7 -91.0 -58.3 152.1 37.9 1.6 7.3 86 86 A E T 3 S+ 0 0 196 1,-0.2 3,-0.1 -3,-0.0 -3,-0.0 -0.345 114.0 29.0 -65.8 141.5 37.9 2.5 3.6 87 87 A G T 3 S+ 0 0 76 1,-0.3 2,-0.4 -3,-0.1 -1,-0.2 0.133 87.4 123.9 95.6 -22.4 40.7 0.9 1.7 88 88 A V < - 0 0 81 -3,-1.7 2,-0.5 1,-0.0 -1,-0.3 -0.643 42.2-168.0 -78.1 125.8 40.9 -2.1 4.1 89 89 A V - 0 0 93 -2,-0.4 2,-0.1 -3,-0.1 -3,-0.0 -0.964 18.8-131.8-118.9 114.6 40.5 -5.3 2.1 90 90 A V - 0 0 17 -2,-0.5 -43,-0.3 1,-0.1 -42,-0.1 -0.388 16.7-162.5 -65.6 136.2 39.9 -8.6 4.0 91 91 A K + 0 0 185 1,-0.1 2,-0.3 -44,-0.1 -1,-0.1 0.743 60.1 46.0 -95.7 -24.7 42.3 -11.3 2.8 92 92 A T > - 0 0 61 1,-0.1 4,-1.6 -46,-0.0 5,-0.1 -0.889 65.6-133.3-126.3 152.9 40.7 -14.5 4.0 93 93 A T H > S+ 0 0 33 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.861 109.2 60.8 -65.2 -34.2 37.4 -16.2 4.2 94 94 A E H > S+ 0 0 127 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.891 103.1 49.6 -61.5 -40.6 38.2 -17.1 7.9 95 95 A E H > S+ 0 0 106 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.903 108.5 52.9 -63.1 -42.4 38.4 -13.4 8.7 96 96 A L H X S+ 0 0 2 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.916 111.2 47.4 -58.1 -44.2 35.0 -12.7 7.0 97 97 A E H < S+ 0 0 98 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.884 112.3 48.5 -66.9 -35.8 33.4 -15.4 9.1 98 98 A K H < S+ 0 0 185 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.870 111.8 47.9 -76.2 -36.9 34.9 -14.2 12.3 99 99 A I H < S- 0 0 17 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.931 114.2-137.6 -59.7 -42.3 33.9 -10.6 11.6 100 100 A G < - 0 0 12 -4,-2.3 -19,-2.8 -5,-0.3 -18,-0.4 0.026 20.2-144.2 96.6 153.1 30.5 -12.1 10.8 101 101 A Y E - D 0 80A 48 -21,-0.3 2,-0.3 -4,-0.2 -21,-0.2 -0.957 6.5-146.9-148.3 165.8 28.1 -11.4 8.0 102 102 A E E - D 0 79A 47 -23,-2.5 -23,-2.9 -2,-0.3 2,-0.5 -0.954 13.7-139.8-131.0 149.9 24.4 -11.1 7.1 103 103 A L E -CD 25 78A 4 -78,-0.6 -78,-2.8 -2,-0.3 2,-0.4 -0.967 23.1-171.3-109.3 126.9 22.7 -11.9 3.8 104 104 A W E -CD 24 77A 67 -27,-2.7 -27,-3.2 -2,-0.5 2,-0.5 -0.919 13.6-149.5-119.3 144.0 19.9 -9.4 2.9 105 105 A L E -CD 23 76A 6 -82,-3.1 -82,-1.7 -2,-0.4 2,-0.5 -0.965 12.3-169.9-114.1 121.1 17.4 -9.7 0.1 106 106 A F E -CD 22 75A 22 -31,-2.6 -31,-2.3 -2,-0.5 2,-0.5 -0.940 5.5-160.9-109.5 129.6 16.2 -6.4 -1.5 107 107 A E E -CD 21 74A 69 -86,-2.7 -86,-2.4 -2,-0.5 2,-0.3 -0.970 14.1-153.6-116.0 118.3 13.3 -6.5 -3.9 108 108 A I E C 20 0A 6 -35,-2.8 -36,-2.4 -2,-0.5 -88,-0.2 -0.715 360.0 360.0 -99.3 139.7 13.0 -3.4 -6.1 109 109 A Q 0 0 115 -90,-1.5 -90,-2.7 -2,-0.3 -38,-0.1 -0.982 360.0 360.0-151.3 360.0 9.9 -1.9 -7.7