==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 16-AUG-94 1FRS . COMPND 2 MOLECULE: BACTERIOPHAGE FR CAPSID; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE FR; . AUTHOR L.LILJAS,K.VALEGARD,M.BUNDULE . 387 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24785.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 32.3 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 46 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 1 1 1 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 5 3 1 0 1 2 0 0 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 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 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 A 0 0 140 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.5 1.5 128.0 31.6 2 2 A S - 0 0 51 150,-0.0 260,-0.0 151,-0.0 151,-0.0 -0.413 360.0-157.8 176.5 104.2 2.7 125.2 29.5 3 3 A N + 0 0 149 -2,-0.2 2,-1.5 2,-0.0 0, 0.0 0.491 64.3 111.1 -76.6 -5.9 6.1 124.3 31.0 4 4 A F + 0 0 31 257,-0.1 2,-0.3 18,-0.0 -1,-0.0 -0.573 53.5 138.1 -69.8 99.0 6.8 122.7 27.7 5 5 A E - 0 0 112 -2,-1.5 15,-0.1 16,-0.1 -2,-0.0 -0.973 56.7 -98.6-145.4 157.9 9.4 125.3 26.6 6 6 A E + 0 0 113 -2,-0.3 2,-0.3 16,-0.1 15,-0.2 -0.378 45.2 166.1 -75.4 153.0 12.8 125.8 24.9 7 7 A F E -A 20 0A 86 13,-1.8 13,-3.1 -2,-0.0 2,-0.7 -0.967 40.7 -94.1-156.7 174.7 15.7 126.3 27.1 8 8 A V E -A 19 0A 67 -2,-0.3 11,-0.3 11,-0.3 3,-0.2 -0.828 28.1-178.8-103.9 119.7 19.4 126.3 26.9 9 9 A L E S+ 0 0 60 9,-2.0 2,-0.6 -2,-0.7 10,-0.2 0.779 77.3 44.9 -82.9 -33.4 21.0 123.0 27.8 10 10 A V E S-A 18 0A 42 8,-3.1 8,-2.1 -3,-0.1 2,-1.4 -0.855 70.7-161.6-121.5 107.7 24.5 124.3 27.3 11 11 A D + 0 0 112 -2,-0.6 2,-1.3 6,-0.2 6,-0.1 -0.563 19.3 164.8 -92.7 91.8 25.5 127.7 28.7 12 12 A N > - 0 0 100 -2,-1.4 2,-2.0 4,-0.2 3,-1.5 -0.429 66.5 -92.6-100.4 61.1 28.5 128.9 27.1 13 13 A G T 3 S- 0 0 67 -2,-1.3 -1,-0.1 1,-0.3 3,-0.1 -0.455 85.3 -47.9 68.6 -82.0 28.1 132.5 28.3 14 14 A G T 3 S+ 0 0 60 -2,-2.0 2,-1.0 1,-0.1 3,-0.4 0.203 120.1 91.7-155.0 -11.7 26.2 133.8 25.2 15 15 A T S < S- 0 0 131 -3,-1.5 -1,-0.1 1,-0.3 0, 0.0 -0.746 103.2 -9.6-108.0 95.6 28.3 132.4 22.5 16 16 A G S S+ 0 0 53 -2,-1.0 2,-0.5 1,-0.2 -1,-0.3 0.942 75.2 179.3 78.1 63.3 27.1 129.0 21.3 17 17 A D - 0 0 46 -3,-0.4 2,-1.2 -6,-0.1 -6,-0.2 -0.795 29.9-130.6 -89.2 134.9 24.7 128.2 23.7 18 18 A V E -A 10 0A 23 -8,-2.1 -8,-3.1 -2,-0.5 -9,-2.0 -0.873 34.8-177.6 -94.7 106.6 23.2 124.9 22.9 19 19 A K E -A 8 0A 116 -2,-1.2 16,-0.4 -11,-0.3 2,-0.3 -0.887 9.4-154.5-104.7 148.1 19.7 125.8 23.2 20 20 A V E -A 7 0A 2 -13,-3.1 -13,-1.8 -2,-0.4 14,-0.3 -0.940 6.1-159.7-128.0 136.6 17.1 123.1 22.7 21 21 A A E -B 33 0B 33 12,-3.2 12,-2.4 -2,-0.3 2,-0.1 -0.812 31.4 -87.9-118.9 158.5 13.4 123.4 21.6 22 22 A P E +B 32 0B 46 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.452 47.5 160.2 -61.0 135.7 10.2 121.3 21.8 23 23 A S E + 0 0 43 8,-2.8 2,-0.3 1,-0.4 9,-0.2 0.554 56.8 2.9-130.5 -33.8 9.9 119.0 19.0 24 24 A N E -B 31 0B 48 7,-1.4 7,-2.9 1,-0.1 -1,-0.4 -0.969 32.4-177.8-163.0 149.4 7.5 116.2 19.8 25 25 A F > + 0 0 41 -2,-0.3 3,-1.7 5,-0.2 132,-0.5 -0.023 35.5 151.5-136.6 25.7 5.2 115.1 22.5 26 26 A A G > S- 0 0 8 1,-0.3 3,-0.9 2,-0.2 261,-0.1 -0.406 72.5 -1.5 -70.2 129.3 4.1 112.0 21.0 27 27 A N G 3 S- 0 0 87 1,-0.2 -1,-0.3 258,-0.2 3,-0.1 0.692 125.8 -63.2 63.9 25.8 3.1 109.4 23.5 28 28 A G G < S+ 0 0 11 -3,-1.7 2,-0.6 1,-0.4 20,-0.3 0.782 102.2 120.8 78.1 18.3 3.9 111.3 26.6 29 29 A V < - 0 0 59 -3,-0.9 2,-0.6 18,-0.1 -1,-0.4 -0.981 57.1-142.6-113.1 133.4 7.5 111.7 26.0 30 30 A A E - C 0 46B 11 16,-2.8 16,-1.9 -2,-0.6 2,-0.5 -0.875 19.9-165.2 -94.0 123.2 8.5 115.2 25.8 31 31 A E E +BC 24 45B 19 -7,-2.9 -8,-2.8 -2,-0.6 -7,-1.4 -0.942 13.4 176.4-117.8 134.7 11.2 115.7 23.3 32 32 A W E -BC 22 44B 31 12,-2.8 12,-2.7 -2,-0.5 2,-0.3 -0.997 9.4-177.8-129.9 135.8 13.3 118.7 22.9 33 33 A I E -BC 21 43B 28 -12,-2.4 -12,-3.2 -2,-0.4 10,-0.2 -0.919 25.2-113.5-133.4 164.0 16.1 118.9 20.3 34 34 A S - 0 0 6 8,-1.7 2,-0.5 -2,-0.3 -14,-0.2 0.043 45.8 -91.8 -76.5-165.2 18.7 121.3 19.3 35 35 A S S S+ 0 0 93 -16,-0.4 323,-0.2 5,-0.1 2,-0.1 -0.248 86.8 100.8-110.3 53.0 18.7 123.0 16.0 36 36 A N S S- 0 0 66 -2,-0.5 2,-0.2 1,-0.2 5,-0.1 -0.428 84.4 -68.3-118.8-169.8 20.7 120.7 13.9 37 37 A S >> - 0 0 3 320,-0.2 3,-3.0 -2,-0.1 4,-1.2 -0.530 53.1-109.1 -74.8 160.7 20.0 118.0 11.4 38 38 A R T 34 S+ 0 0 63 318,-1.0 3,-0.5 316,-0.6 317,-0.2 0.900 120.9 65.7 -59.4 -28.9 18.4 115.1 13.1 39 39 A S T 34 S+ 0 0 12 315,-2.5 41,-0.5 1,-0.2 -1,-0.3 0.533 116.8 24.7 -62.4 -10.8 21.6 113.3 12.4 40 40 A Q T <4 S+ 0 0 29 -3,-3.0 -1,-0.2 314,-0.3 -2,-0.2 0.415 85.5 126.6-139.2 -4.4 23.2 115.7 14.8 41 41 A A < - 0 0 6 -4,-1.2 2,-0.1 -3,-0.5 -21,-0.1 -0.254 55.8-123.1 -72.9 152.5 21.0 117.2 17.3 42 42 A Y - 0 0 54 -23,-0.1 -8,-1.7 22,-0.1 2,-0.3 -0.509 41.5-162.2 -66.4 161.5 21.4 117.4 21.1 43 43 A K E -CD 33 63B 72 20,-1.3 20,-2.4 -10,-0.2 2,-0.4 -0.992 19.6-173.4-155.3 143.4 18.2 115.8 22.5 44 44 A V E -CD 32 62B 13 -12,-2.7 -12,-2.8 -2,-0.3 2,-0.4 -0.997 7.2-176.3-136.4 144.5 16.3 115.7 25.7 45 45 A T E -CD 31 61B 27 16,-2.5 16,-2.5 -2,-0.4 2,-0.3 -1.000 2.8-177.0-144.9 151.5 13.4 113.7 26.8 46 46 A C E +CD 30 60B 29 -16,-1.9 -16,-2.8 -2,-0.4 2,-0.3 -0.968 7.0 161.6-146.5 150.1 11.2 113.5 29.7 47 47 A S E - D 0 59B 30 12,-0.8 12,-2.1 -2,-0.3 2,-0.4 -0.981 18.2-153.0-163.9 152.6 8.3 111.4 30.9 48 48 A V E + D 0 58B 40 -20,-0.3 2,-0.3 -2,-0.3 10,-0.2 -0.999 13.9 178.1-131.5 139.7 6.5 110.6 34.1 49 49 A R E - D 0 57B 162 8,-1.7 8,-2.1 -2,-0.4 2,-1.2 -0.945 37.0-113.3-135.8 156.2 4.5 107.5 34.7 50 50 A Q + 0 0 94 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.666 40.8 179.0 -92.6 83.1 2.7 106.4 37.9 51 51 A S + 0 0 52 -2,-1.2 -1,-0.2 2,-0.1 5,-0.1 0.951 58.2 2.4 -52.6 -92.6 4.7 103.3 39.0 52 52 A S S > S- 0 0 63 1,-0.1 3,-0.5 4,-0.0 0, 0.0 -0.244 93.0 -94.8 -70.8-168.1 3.5 101.5 42.4 53 53 A A T 3 S+ 0 0 70 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 0.630 125.8 53.8 -79.6 -0.5 0.5 103.1 43.9 54 54 A N T 3 S+ 0 0 63 39,-0.1 40,-1.2 40,-0.1 2,-0.3 0.380 106.5 37.7-117.2 9.2 3.0 105.1 46.0 55 55 A N E < - E 0 93B 37 -3,-0.5 2,-0.3 38,-0.2 39,-0.1 -0.957 53.1-146.5-154.2 167.4 5.4 106.6 43.6 56 56 A R E - E 0 92B 22 36,-1.6 36,-1.8 -2,-0.3 2,-0.5 -0.892 16.9-144.4-132.2 162.7 6.0 108.3 40.3 57 57 A K E -DE 49 91B 31 -8,-2.1 -8,-1.7 -2,-0.3 2,-0.4 -0.987 4.0-160.6-137.1 126.5 8.9 108.1 38.0 58 58 A Y E -DE 48 90B 81 32,-2.5 32,-2.5 -2,-0.5 2,-0.5 -0.784 11.0-160.6-101.8 149.5 10.3 110.7 36.0 59 59 A T E +DE 47 89B 29 -12,-2.1 -12,-0.8 -2,-0.4 2,-0.4 -0.947 12.9 177.2-138.8 115.7 12.5 109.5 33.1 60 60 A V E -DE 46 88B 38 28,-2.3 28,-2.3 -2,-0.5 2,-0.4 -0.946 6.3-175.1-127.3 138.8 14.9 111.9 31.6 61 61 A K E -DE 45 87B 103 -16,-2.5 -16,-2.5 -2,-0.4 2,-0.4 -0.996 5.8-166.7-140.5 146.0 17.4 111.5 29.0 62 62 A V E -DE 44 86B 34 24,-1.7 24,-2.3 -2,-0.4 2,-0.5 -0.977 4.5-161.5-131.5 137.4 20.0 113.6 27.5 63 63 A E E -DE 43 85B 41 -20,-2.4 -20,-1.3 -2,-0.4 22,-0.2 -0.963 3.3-168.7-127.9 118.6 22.0 113.1 24.3 64 64 A V E - E 0 84B 57 20,-2.4 20,-2.1 -2,-0.5 2,-0.5 -0.915 11.8-153.6-108.3 126.2 25.2 114.9 23.6 65 65 A P E - E 0 83B 7 0, 0.0 2,-1.0 0, 0.0 18,-0.2 -0.780 14.0-148.6-101.7 123.2 26.6 114.6 20.1 66 66 A K E - E 0 82B 115 16,-2.5 15,-3.2 -2,-0.5 16,-0.7 -0.754 38.8-141.6 -84.8 111.9 30.2 114.9 19.0 67 67 A V E + E 0 80B 75 -2,-1.0 2,-0.3 13,-0.3 13,-0.2 -0.316 34.5 132.8 -77.4 156.1 29.6 116.4 15.6 68 68 A A E - E 0 79B 45 11,-2.0 11,-2.4 -2,-0.0 2,-0.5 -0.963 47.1 -99.0-174.7-175.6 31.3 115.9 12.1 69 69 A T E - E 0 78B 95 -2,-0.3 2,-0.3 9,-0.2 7,-0.0 -0.984 33.9-168.0-129.5 117.4 31.1 115.4 8.4 70 70 A Q E - E 0 77B 100 7,-2.2 7,-3.2 -2,-0.5 2,-0.7 -0.734 16.8-135.2-106.5 152.4 31.5 111.9 7.1 71 71 A V E + E 0 76B 87 -2,-0.3 2,-0.6 5,-0.2 3,-0.3 -0.896 24.2 176.4-111.0 104.0 32.0 110.9 3.6 72 72 A Q E > S- E 0 75B 100 3,-1.4 3,-1.0 -2,-0.7 -2,-0.0 -0.928 78.4 -8.4-112.9 122.5 30.0 107.9 2.5 73 73 A G T 3 S- 0 0 84 -2,-0.6 -1,-0.2 1,-0.2 3,-0.1 0.867 129.8 -58.9 60.5 36.3 30.3 107.1 -1.2 74 74 A G T 3 S+ 0 0 70 -3,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.663 115.0 107.0 71.1 22.8 32.2 110.3 -1.8 75 75 A V E < -E 72 0B 85 -3,-1.0 -3,-1.4 2,-0.0 2,-0.6 -0.920 68.0-120.7-126.2 148.7 29.5 112.6 -0.6 76 76 A E E -E 71 0B 147 -2,-0.3 -5,-0.2 -5,-0.2 -7,-0.0 -0.861 29.4-179.4-109.4 135.6 29.6 114.5 2.7 77 77 A L E -E 70 0B 32 -7,-3.2 -7,-2.2 -2,-0.6 2,-0.3 -0.878 30.2-116.4-123.1 142.1 27.0 114.2 5.3 78 78 A P E +E 69 0B 28 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.648 53.5 144.8 -75.7 138.6 26.5 115.7 8.7 79 79 A V E -E 68 0B 29 -11,-2.4 -11,-2.0 -2,-0.3 2,-0.5 -0.980 49.3-100.2-169.2 165.1 26.7 113.2 11.4 80 80 A A E -E 67 0B 23 -41,-0.5 -13,-0.3 -2,-0.3 3,-0.1 -0.831 15.0-153.1-100.6 133.1 27.7 112.4 14.9 81 81 A A E S- 0 0 64 -15,-3.2 2,-0.3 -2,-0.5 -1,-0.1 0.805 79.4 -32.5 -71.6 -29.8 31.0 110.7 15.5 82 82 A W E -E 66 0B 148 -16,-0.7 -16,-2.5 -3,-0.1 -1,-0.3 -0.924 62.4-133.4-170.4 174.6 29.6 109.4 18.6 83 83 A R E -E 65 0B 51 -2,-0.3 2,-0.4 -18,-0.2 -20,-0.0 -0.863 8.6-137.7-134.8 164.5 27.2 110.4 21.3 84 84 A S E -E 64 0B 65 -20,-2.1 -20,-2.4 -2,-0.3 2,-0.5 -0.986 23.1-145.8-122.9 147.8 27.2 110.4 25.0 85 85 A Y E -E 63 0B 153 -2,-0.4 2,-0.4 -22,-0.2 -22,-0.2 -0.912 13.2-169.3-127.1 137.9 24.1 109.3 26.9 86 86 A M E -E 62 0B 72 -24,-2.3 -24,-1.7 -2,-0.5 2,-0.4 -0.931 11.6-179.7-122.5 144.7 22.7 110.3 30.1 87 87 A N E +E 61 0B 100 -2,-0.4 2,-0.4 -26,-0.2 -26,-0.2 -0.981 0.8 178.0-154.4 130.7 20.0 108.6 31.6 88 88 A M E -E 60 0B 43 -28,-2.3 -28,-2.3 -2,-0.4 2,-0.5 -0.983 15.3-166.2-153.7 144.9 18.1 109.0 34.7 89 89 A E E -E 59 0B 108 -2,-0.4 2,-0.4 -30,-0.2 -30,-0.2 -0.959 10.2-172.2-134.5 127.7 15.4 107.8 36.7 90 90 A L E -E 58 0B 41 -32,-2.5 -32,-2.5 -2,-0.5 2,-0.5 -0.952 3.7-167.3-130.8 140.3 13.7 109.4 39.5 91 91 A T E -E 57 0B 66 -2,-0.4 -34,-0.2 -34,-0.2 -2,-0.0 -0.957 5.8-178.9-128.0 124.9 11.2 108.2 42.0 92 92 A I E -E 56 0B 16 -36,-1.8 -36,-1.6 -2,-0.5 -2,-0.0 -0.954 27.2-120.9-126.8 136.6 9.1 110.3 44.3 93 93 A P E -E 55 0B 63 0, 0.0 3,-0.4 0, 0.0 -38,-0.2 -0.067 26.9-118.8 -56.2 169.3 6.6 109.1 46.8 94 94 A V S S+ 0 0 12 -40,-1.2 74,-1.6 1,-0.2 75,-1.0 0.857 108.5 65.6 -82.0 -30.2 3.3 110.3 46.4 95 95 A F S S+ 0 0 27 -41,-0.3 -1,-0.2 72,-0.2 2,-0.2 0.466 71.5 121.4 -73.7 -9.3 3.3 112.0 49.7 96 96 A A - 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