==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 16-JUN-11 3SHS . COMPND 2 MOLECULE: HOC HEAD OUTER CAPSID PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE RB49; . AUTHOR A.FOKINE,M.Z.ISLAM,Z.ZHANG,V.D.BOWMAN,V.B.RAO,M.G.ROSSMANN . 303 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16699.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 111 36.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 37 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 7 2 2 1 4 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 1 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 2 A A 0 0 78 0, 0.0 27,-0.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 130.2 -54.7 36.0 -53.4 2 3 A F E +A 27 0A 40 25,-0.2 2,-0.3 29,-0.1 25,-0.2 -0.977 360.0 160.3-129.3 112.1 -52.5 33.4 -55.1 3 4 A T E -A 26 0A 66 23,-1.2 23,-2.1 -2,-0.5 2,-0.4 -0.868 22.6-153.5-132.9 161.4 -49.0 33.3 -53.8 4 5 A V E +A 25 0A 16 -2,-0.3 78,-0.5 21,-0.2 2,-0.3 -0.998 12.8 170.6-141.1 144.9 -46.0 30.9 -53.7 5 6 A S E -A 24 0A 43 19,-1.7 19,-3.3 -2,-0.4 2,-0.5 -0.990 33.6-114.6-144.5 155.4 -43.0 30.3 -51.5 6 7 A I E -A 23 0A 14 76,-0.4 2,-0.5 -2,-0.3 17,-0.2 -0.777 28.3-165.3 -86.5 128.4 -40.3 27.8 -51.1 7 8 A Q E -A 22 0A 102 15,-2.4 15,-2.0 -2,-0.5 2,-0.3 -0.973 8.0-160.4-114.8 132.4 -40.4 25.9 -47.8 8 9 A S E -A 21 0A 34 -2,-0.5 13,-0.2 13,-0.2 11,-0.0 -0.872 25.7-148.8-117.7 148.5 -37.3 23.9 -46.9 9 10 A N S S+ 0 0 86 11,-1.5 2,-0.3 -2,-0.3 12,-0.1 0.569 90.5 47.1 -86.0 -10.5 -36.8 21.1 -44.4 10 11 A K - 0 0 18 10,-0.2 114,-0.2 114,-0.1 3,-0.1 -0.962 65.1-150.5-126.9 147.6 -33.2 22.4 -43.8 11 12 A R S S- 0 0 99 112,-3.8 76,-0.4 -2,-0.3 2,-0.3 0.657 87.5 -23.3 -84.1 -20.7 -31.9 25.9 -43.0 12 13 A C S S- 0 0 2 111,-0.3 2,-0.3 74,-0.1 -1,-0.2 -0.902 73.9-125.2-170.1-176.9 -28.6 25.0 -44.7 13 14 A F B -c 88 0B 0 74,-2.0 76,-3.1 -2,-0.3 2,-0.3 -0.986 1.4-141.1-148.8 158.5 -26.7 21.8 -45.4 14 15 A L > - 0 0 1 -2,-0.3 3,-2.3 74,-0.2 44,-0.2 -0.825 53.2 -71.3-114.0 157.5 -23.4 20.0 -44.9 15 16 A A T 3 S+ 0 0 26 74,-0.5 152,-0.3 -2,-0.3 44,-0.2 -0.196 122.3 19.4 -51.8 128.9 -21.7 17.8 -47.5 16 17 A G T 3 S+ 0 0 8 42,-2.4 41,-0.5 1,-0.3 -1,-0.3 0.409 94.0 130.0 89.5 -2.9 -23.6 14.5 -47.9 17 18 A D < - 0 0 0 -3,-2.3 41,-3.1 40,-0.2 -1,-0.3 -0.422 50.6-135.8 -73.7 158.5 -26.9 15.8 -46.4 18 19 A G + 0 0 23 38,-0.2 2,-0.3 39,-0.2 38,-0.2 -0.824 26.2 175.6-100.6 157.4 -30.2 15.4 -48.1 19 20 A F E - B 0 55A 2 36,-1.7 36,-3.6 -2,-0.3 2,-0.4 -0.982 18.4-147.4-152.6 165.8 -32.8 18.2 -48.3 20 21 A T E - B 0 54A 35 -2,-0.3 -11,-1.5 34,-0.3 2,-0.4 -0.984 4.2-159.4-138.4 127.3 -36.2 19.0 -49.8 21 22 A L E -AB 8 53A 0 32,-3.9 32,-3.0 -2,-0.4 2,-0.4 -0.815 13.4-158.7-102.4 146.3 -37.6 22.2 -51.2 22 23 A T E -AB 7 52A 47 -15,-2.0 -15,-2.4 -2,-0.4 2,-0.6 -0.972 16.3-139.0-132.8 119.6 -41.3 22.6 -51.5 23 24 A A E -A 6 0A 7 28,-3.3 2,-0.6 -2,-0.4 -17,-0.2 -0.656 29.6-165.9 -69.0 120.6 -43.3 25.0 -53.6 24 25 A T E -A 5 0A 39 -19,-3.3 -19,-1.7 -2,-0.6 2,-0.4 -0.945 7.6-152.2-121.5 117.7 -46.1 26.1 -51.3 25 26 A V E +A 4 0A 36 -2,-0.6 -21,-0.2 -21,-0.2 2,-0.2 -0.705 22.1 172.2 -91.2 134.6 -49.1 27.9 -52.6 26 27 A A E +A 3 0A 45 -23,-2.1 -23,-1.2 -2,-0.4 2,-0.2 -0.525 20.6 70.7-126.4-173.1 -51.0 30.2 -50.3 27 28 A G E S+A 2 0A 34 -25,-0.2 -25,-0.2 -2,-0.2 4,-0.1 -0.474 76.3 5.4 103.3-167.7 -53.8 32.8 -50.4 28 29 A D S S- 0 0 114 -27,-0.6 -2,-0.0 -2,-0.2 0, 0.0 -0.245 87.4 -73.4 -60.9 139.4 -57.6 33.0 -50.7 29 30 A E S S+ 0 0 155 1,-0.1 -1,-0.1 2,-0.1 2,-0.1 -0.528 109.8 37.9 -89.3 149.4 -59.6 29.8 -50.9 30 31 A P S S- 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.552 83.1-151.5 -76.5 142.4 -60.0 27.7 -52.8 31 32 A L - 0 0 39 -4,-0.1 -2,-0.1 1,-0.1 -4,-0.1 -0.518 35.9 -87.0 -76.5 144.6 -56.4 27.8 -54.0 32 33 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.288 41.1-168.2 -53.9 127.9 -55.9 26.8 -57.7 33 34 A S + 0 0 104 1,-0.1 2,-0.8 -3,-0.1 -2,-0.0 0.612 65.8 74.6 -97.9 -13.6 -55.4 23.1 -57.8 34 35 A N + 0 0 88 2,-0.0 39,-1.8 0, 0.0 40,-0.5 -0.857 69.6 157.4-103.8 105.9 -54.2 22.6 -61.4 35 36 A L E -D 72 0C 37 -2,-0.8 2,-0.4 37,-0.2 37,-0.2 -0.926 36.2-155.8-137.2 142.8 -50.6 23.7 -61.4 36 37 A T E -D 71 0C 62 35,-2.0 35,-2.2 -2,-0.3 2,-0.4 -0.900 18.1-152.4-111.2 150.0 -47.3 23.4 -63.2 37 38 A Y E -D 70 0C 45 12,-0.7 2,-0.5 -2,-0.4 33,-0.2 -0.993 9.5-171.9-124.4 132.8 -44.0 24.1 -61.5 38 39 A T E -D 69 0C 80 31,-2.3 31,-2.9 -2,-0.4 2,-0.3 -0.989 13.0-159.5-122.0 122.4 -40.8 25.3 -63.1 39 40 A W E -D 68 0C 1 9,-0.8 7,-1.8 -2,-0.5 2,-0.3 -0.806 9.6-177.0-105.9 143.0 -37.6 25.4 -61.0 40 41 A T E -DE 67 45C 28 27,-2.9 27,-2.1 -2,-0.3 2,-0.4 -0.972 12.2-156.2-128.7 152.0 -34.4 27.4 -61.5 41 42 A K E > S-DE 66 44C 40 3,-2.3 3,-2.2 -2,-0.3 25,-0.2 -0.996 82.7 -13.6-124.3 127.8 -31.1 27.4 -59.5 42 43 A D T 3 S- 0 0 76 23,-3.1 -1,-0.1 -2,-0.4 24,-0.1 0.909 127.9 -57.1 46.6 46.4 -29.0 30.5 -59.7 43 44 A D T 3 S+ 0 0 145 22,-0.5 -1,-0.3 1,-0.2 23,-0.1 0.494 115.3 116.1 73.7 2.0 -31.0 31.7 -62.7 44 45 A Q E < S-E 41 0C 132 -3,-2.2 -3,-2.3 1,-0.1 -1,-0.2 -0.763 73.9 -95.8-107.6 150.0 -30.2 28.5 -64.6 45 46 A P E -E 40 0C 103 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.288 33.4-157.4 -64.6 145.9 -32.9 25.9 -65.6 46 47 A H - 0 0 71 -7,-1.8 -7,-0.4 2,-0.1 0, 0.0 -0.958 15.8-140.0-121.9 148.4 -33.5 22.9 -63.5 47 48 A E S S+ 0 0 168 -2,-0.4 2,-0.2 -9,-0.1 -1,-0.1 0.772 71.1 105.6 -76.1 -26.5 -35.1 19.7 -64.7 48 49 A N + 0 0 43 1,-0.1 -9,-0.8 -10,-0.1 -2,-0.1 -0.375 38.8 170.9 -68.0 119.2 -37.2 19.1 -61.7 49 50 A N + 0 0 116 -2,-0.2 -12,-0.7 -11,-0.1 2,-0.2 0.107 42.0 93.7-109.4 13.8 -40.9 19.9 -62.5 50 51 A T S S- 0 0 71 2,-0.3 -27,-0.1 -14,-0.1 -14,-0.0 -0.531 88.0 -96.8-100.6 177.8 -42.9 18.7 -59.4 51 52 A A S S+ 0 0 32 -2,-0.2 -28,-3.3 -29,-0.1 2,-0.4 0.823 108.2 48.7 -64.8 -34.0 -44.0 20.6 -56.3 52 53 A T E -B 22 0A 57 -30,-0.2 2,-0.5 2,-0.0 -2,-0.3 -0.856 67.2-156.8-108.3 144.5 -41.0 19.4 -54.3 53 54 A L E -B 21 0A 2 -32,-3.0 -32,-3.9 -2,-0.4 2,-0.4 -0.990 19.0-166.5-120.3 123.5 -37.4 19.4 -55.2 54 55 A T E -B 20 0A 85 -2,-0.5 2,-0.4 -34,-0.3 -34,-0.3 -0.902 8.6-163.9-119.1 137.1 -35.3 16.9 -53.3 55 56 A V E -B 19 0A 12 -36,-3.6 -36,-1.7 -2,-0.4 2,-0.4 -0.940 3.0-170.6-119.8 142.9 -31.5 16.5 -53.0 56 57 A A S S+ 0 0 69 -2,-0.4 -38,-0.2 -38,-0.2 -39,-0.1 -0.995 71.3 7.2-133.1 139.1 -29.6 13.5 -51.8 57 58 A D S S- 0 0 124 -41,-0.5 -39,-0.2 -2,-0.4 -1,-0.2 0.943 89.4-149.3 56.9 54.5 -25.8 13.3 -51.0 58 59 A A - 0 0 2 -41,-3.1 -42,-2.4 -44,-0.2 2,-0.2 -0.050 21.2-178.7 -60.1 150.6 -25.5 17.0 -51.4 59 60 A T > - 0 0 71 -44,-0.2 3,-1.6 -43,-0.1 4,-0.4 -0.781 51.0 -81.1-133.0-174.6 -22.2 18.6 -52.6 60 61 A S G > S+ 0 0 80 1,-0.3 3,-2.0 -2,-0.2 28,-0.1 0.893 125.5 66.8 -58.5 -33.4 -21.1 22.1 -53.2 61 62 A E G 3 S+ 0 0 160 1,-0.3 -1,-0.3 3,-0.0 -3,-0.1 0.811 91.7 60.1 -57.0 -30.4 -22.9 21.9 -56.5 62 63 A N G < S+ 0 0 42 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.576 85.9 96.1 -78.8 -8.0 -26.3 21.7 -54.8 63 64 A A < + 0 0 25 -3,-2.0 2,-0.3 -4,-0.4 24,-0.2 -0.470 54.4 89.2 -77.3 154.1 -25.9 25.0 -53.1 64 65 A G E S- F 0 86C 9 22,-2.2 22,-2.7 -2,-0.1 2,-0.8 -0.886 77.5 -51.1 147.4-176.2 -27.4 28.1 -54.7 65 66 A S E - F 0 85C 33 -2,-0.3 -23,-3.1 20,-0.2 -22,-0.5 -0.816 52.8-163.0-103.4 108.8 -30.3 30.4 -55.1 66 67 A Y E +DF 41 84C 3 18,-2.7 18,-2.7 -2,-0.8 2,-0.3 -0.624 12.7 173.6 -96.8 146.9 -33.5 28.5 -55.9 67 68 A K E -D 40 0C 31 -27,-2.1 -27,-2.9 -2,-0.3 2,-0.4 -0.979 13.0-158.4-148.1 143.2 -36.7 29.8 -57.3 68 69 A V E -D 39 0C 0 -2,-0.3 13,-2.4 -29,-0.2 2,-0.5 -0.989 4.3-156.4-121.4 134.8 -39.9 28.1 -58.5 69 70 A T E -DG 38 80C 37 -31,-2.9 -31,-2.3 -2,-0.4 2,-0.5 -0.953 12.3-160.9-106.8 126.8 -42.5 29.6 -60.8 70 71 A V E -DG 37 79C 0 9,-2.6 9,-3.0 -2,-0.5 2,-0.4 -0.925 2.3-162.2-111.7 124.3 -46.0 28.1 -60.5 71 72 A Q E -DG 36 78C 60 -35,-2.2 -35,-2.0 -2,-0.5 2,-0.7 -0.906 13.7-142.3-107.4 133.7 -48.6 28.5 -63.3 72 73 A D E > -D 35 0C 10 5,-3.2 4,-4.3 -2,-0.4 5,-0.5 -0.836 12.0-157.8 -92.8 113.9 -52.3 28.0 -62.9 73 74 A T T 4 S+ 0 0 58 -39,-1.8 -1,-0.1 -2,-0.7 -38,-0.1 0.646 85.6 61.1 -76.7 -14.4 -53.4 26.3 -66.0 74 75 A D T 4 S+ 0 0 105 -40,-0.5 -1,-0.2 3,-0.1 -39,-0.1 0.979 126.9 13.8 -63.7 -60.4 -57.1 27.3 -65.7 75 76 A T T 4 S- 0 0 79 2,-0.1 -2,-0.2 -3,-0.1 3,-0.1 0.806 94.8-130.5 -83.9 -34.9 -56.2 31.0 -65.9 76 77 A M < + 0 0 92 -4,-4.3 2,-0.3 1,-0.3 -3,-0.2 0.478 53.8 152.3 86.8 1.5 -52.6 30.8 -67.1 77 78 A T - 0 0 75 -5,-0.5 -5,-3.2 -6,-0.1 2,-0.4 -0.519 30.0-157.8 -60.3 127.1 -51.6 33.1 -64.3 78 79 A S E -G 71 0C 66 -2,-0.3 2,-0.4 -7,-0.3 -7,-0.3 -0.946 9.7-171.7-112.2 137.5 -48.0 32.5 -63.3 79 80 A V E -G 70 0C 34 -9,-3.0 -9,-2.6 -2,-0.4 2,-0.3 -0.976 7.5-155.8-128.8 120.5 -46.5 33.4 -59.9 80 81 A E E -G 69 0C 121 -2,-0.4 -11,-0.2 -11,-0.3 -76,-0.2 -0.728 15.7-128.9 -96.8 144.0 -42.9 33.1 -59.1 81 82 A S - 0 0 5 -13,-2.4 -76,-0.2 -2,-0.3 2,-0.1 -0.369 27.8 -95.9 -79.7 160.4 -41.5 32.7 -55.5 82 83 A E - 0 0 173 -78,-0.5 -76,-0.4 1,-0.1 -14,-0.2 -0.489 58.6 -92.6 -61.9 150.5 -38.8 34.7 -53.7 83 84 A V - 0 0 79 -2,-0.1 2,-0.6 -16,-0.1 -16,-0.2 -0.343 30.5-144.8 -69.2 148.4 -35.5 32.9 -54.0 84 85 A F E -F 66 0C 45 -18,-2.7 -18,-2.7 -3,-0.1 2,-0.9 -0.973 13.3-146.6-111.5 120.2 -34.6 30.5 -51.3 85 86 A L E -F 65 0C 90 -2,-0.6 2,-0.8 -20,-0.2 -20,-0.2 -0.749 11.8-165.1 -92.8 108.3 -30.9 30.6 -50.8 86 87 A M E -F 64 0C 0 -22,-2.7 -22,-2.2 -2,-0.9 2,-0.4 -0.807 12.0-170.1 -96.8 111.5 -29.5 27.2 -49.8 87 88 A E - 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