==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 21-MAY-04 1TD0 . COMPND 2 MOLECULE: HEAD DECORATION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE P21; . AUTHOR C.CHANG,P.FORRER,D.OTT,A.WLODAWER,A.PLUECKTHUN . 408 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20273.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 56.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 21.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 4 1.0 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 . 27 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 4.9 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 4 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 . 4 0 0 0 4 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 . 4 4 8 0 0 4 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 0 0 0 0 4 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 11 A E 0 0 102 0, 0.0 2,-1.2 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 105.0 33.1 39.9 18.2 2 12 A V - 0 0 53 177,-1.9 2,-0.1 179,-0.1 4,-0.0 -0.642 360.0-141.4 -77.6 97.8 32.6 39.5 14.4 3 13 A R - 0 0 54 -2,-1.2 3,-0.2 1,-0.1 74,-0.1 -0.356 20.4-172.5 -63.4 134.5 31.9 35.8 14.1 4 14 A I S S+ 0 0 9 1,-0.2 70,-1.7 176,-0.2 2,-0.6 0.496 84.4 59.0-102.9 -11.3 33.5 34.2 11.0 5 15 A F S S- 0 0 36 68,-0.2 2,-2.5 124,-0.1 68,-0.2 -0.795 71.2-174.5-117.0 77.8 31.7 30.9 11.6 6 16 A A + 0 0 43 -2,-0.6 2,-0.3 -3,-0.2 67,-0.2 -0.089 62.1 68.1 -68.9 41.3 28.2 32.3 11.5 7 17 A G S S- 0 0 30 -2,-2.5 4,-0.1 65,-0.3 -2,-0.1 -0.984 70.9-139.9-156.7 164.3 27.1 28.9 12.5 8 18 A N S S+ 0 0 153 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.756 70.4 105.2 -97.4 -33.1 27.0 26.3 15.3 9 19 A D S S- 0 0 53 1,-0.1 63,-0.6 62,-0.0 -2,-0.1 -0.325 86.9-100.4 -54.1 119.3 27.6 23.1 13.3 10 20 A P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.048 31.6-131.7 -45.7 132.5 31.3 22.2 14.0 11 21 A A - 0 0 5 -3,-0.1 2,-0.3 -4,-0.1 60,-0.2 -0.711 25.3-171.2 -87.7 141.2 33.8 23.1 11.3 12 22 A H E -A 70 0A 98 58,-0.7 57,-3.0 -2,-0.3 58,-1.1 -0.942 8.1-143.9-131.8 151.7 36.2 20.4 10.2 13 23 A T E -A 68 0A 55 -2,-0.3 2,-0.3 55,-0.3 55,-0.3 -0.726 13.2-175.3-115.4 166.0 39.2 20.6 8.0 14 24 A A E -A 67 0A 23 53,-2.6 53,-3.0 -2,-0.2 2,-0.3 -0.941 18.7-127.8-150.0 167.1 40.9 18.4 5.3 15 25 A T E +A 66 0A 108 -2,-0.3 2,-0.3 51,-0.2 51,-0.2 -0.885 31.4 159.9-120.2 153.6 44.0 18.3 3.2 16 26 A G E -A 65 0A 22 49,-1.9 49,-2.3 -2,-0.3 2,-0.2 -0.986 46.4 -72.4-165.9 162.7 44.2 17.8 -0.6 17 27 A S E -A 64 0A 60 -2,-0.3 22,-3.3 47,-0.2 2,-0.4 -0.438 48.5-143.1 -65.1 125.6 46.3 18.3 -3.7 18 28 A S B -b 39 0A 4 45,-1.6 22,-0.2 -2,-0.2 20,-0.1 -0.753 23.2-178.2 -95.1 138.8 46.5 22.0 -4.6 19 29 A G + 0 0 14 20,-3.6 2,-0.4 -2,-0.4 21,-0.2 0.133 47.1 120.3-116.3 14.1 46.5 23.1 -8.2 20 30 A I - 0 0 14 19,-0.5 42,-0.2 42,-0.1 40,-0.1 -0.662 39.4-174.7 -82.7 132.2 46.7 26.8 -7.4 21 31 A S + 0 0 92 -2,-0.4 -1,-0.1 40,-0.1 40,-0.1 -0.187 58.5 57.8-122.3 42.1 49.8 28.5 -8.8 22 32 A S S S- 0 0 62 2,-0.0 38,-0.2 0, 0.0 36,-0.1 -0.974 98.6 -72.3-164.1 151.4 49.6 32.0 -7.3 23 33 A P - 0 0 103 0, 0.0 36,-0.2 0, 0.0 37,-0.1 -0.273 54.9-175.1 -50.6 121.3 49.4 33.7 -3.8 24 34 A T B -G 58 0B 11 34,-2.0 34,-2.8 -4,-0.1 36,-0.1 -0.989 17.5-130.4-127.0 125.9 45.9 32.9 -2.6 25 35 A P - 0 0 64 0, 0.0 3,-0.4 0, 0.0 29,-0.2 -0.212 30.8 -95.3 -70.0 161.9 44.4 34.3 0.6 26 36 A A S S+ 0 0 9 1,-0.2 29,-0.2 29,-0.1 82,-0.1 -0.329 104.8 41.8 -73.0 160.6 42.7 32.3 3.3 27 37 A L S S+ 0 0 5 27,-3.0 52,-2.6 1,-0.3 -1,-0.2 0.757 81.2 144.6 70.9 29.1 38.9 31.9 3.3 28 38 A T - 0 0 8 -3,-0.4 26,-2.6 50,-0.2 -1,-0.3 -0.838 54.4-112.8-101.8 132.5 38.8 31.5 -0.4 29 39 A P E -C 53 0A 1 0, 0.0 13,-3.1 0, 0.0 2,-0.3 -0.398 34.7-154.7 -64.0 134.8 36.2 29.2 -2.1 30 40 A L E -CD 52 41A 0 22,-3.5 21,-1.6 11,-0.3 22,-1.3 -0.882 14.5-179.0-117.0 147.1 37.8 26.1 -3.7 31 41 A M E -CD 50 40A 28 9,-3.1 9,-2.7 -2,-0.3 2,-0.4 -0.856 33.9 -98.6-132.8 167.3 36.6 23.9 -6.6 32 42 A L E - D 0 39A 87 17,-0.5 2,-0.7 -2,-0.3 7,-0.2 -0.743 32.9-121.9 -91.7 137.4 38.1 20.8 -8.3 33 43 A D > - 0 0 28 5,-2.9 4,-2.9 -2,-0.4 5,-0.2 -0.687 16.5-145.9 -79.8 115.0 40.0 21.2 -11.5 34 44 A E T 4 S+ 0 0 167 -2,-0.7 -1,-0.2 1,-0.2 255,-0.1 0.823 93.9 41.6 -47.6 -42.0 38.2 19.0 -14.1 35 45 A A T 4 S+ 0 0 33 253,-0.5 -1,-0.2 1,-0.1 252,-0.1 0.863 128.7 22.3 -80.0 -37.9 41.4 18.1 -15.9 36 46 A T T 4 S- 0 0 58 2,-0.2 -2,-0.2 -3,-0.1 -1,-0.1 0.737 87.9-129.9-103.8 -27.4 43.8 17.5 -13.1 37 47 A G < + 0 0 51 -4,-2.9 2,-0.2 1,-0.3 -20,-0.2 0.474 64.7 131.8 88.3 1.8 41.7 16.7 -10.1 38 48 A K - 0 0 92 -5,-0.2 -5,-2.9 -6,-0.1 2,-0.4 -0.531 64.3-105.5 -86.2 155.8 43.6 19.2 -8.0 39 49 A L E +bD 18 32A 7 -22,-3.3 -20,-3.6 -7,-0.2 -19,-0.5 -0.688 48.4 162.3 -84.5 130.3 41.9 21.8 -5.9 40 50 A V E - D 0 31A 24 -9,-2.7 -9,-3.1 -2,-0.4 -20,-0.1 -0.818 47.2 -60.1-135.8 174.8 42.0 25.4 -7.3 41 51 A V E - D 0 30A 58 -2,-0.3 -11,-0.3 -11,-0.2 2,-0.2 -0.321 59.0-106.0 -63.1 136.2 40.1 28.6 -6.7 42 52 A W - 0 0 2 -13,-3.1 -1,-0.1 10,-0.2 8,-0.1 -0.464 25.1-155.2 -64.2 126.9 36.3 28.4 -7.3 43 53 A D - 0 0 75 -2,-0.2 -1,-0.1 6,-0.1 -2,-0.1 0.480 27.2-126.8 -84.8 -3.7 35.5 30.2 -10.6 44 54 A G S S+ 0 0 4 2,-0.2 41,-0.4 44,-0.1 44,-0.1 0.544 76.3 118.9 71.0 6.7 31.9 31.1 -9.7 45 55 A Q S S+ 0 0 127 1,-0.2 2,-0.4 39,-0.1 -1,-0.1 0.675 73.4 33.3 -78.6 -19.0 30.6 29.5 -12.9 46 56 A K S > S- 0 0 144 42,-0.1 3,-1.2 46,-0.0 -2,-0.2 -0.997 75.9-124.7-143.7 138.0 28.5 26.8 -11.2 47 57 A A T 3 S+ 0 0 47 -2,-0.4 45,-0.3 1,-0.2 42,-0.1 -0.507 99.3 21.7 -72.2 144.8 26.4 26.6 -8.1 48 58 A G T 3 S+ 0 0 33 43,-1.4 -1,-0.2 40,-0.4 44,-0.1 0.515 91.7 104.3 75.9 4.7 27.5 23.6 -5.9 49 59 A S < + 0 0 30 -3,-1.2 2,-0.9 -18,-0.1 -17,-0.5 0.492 51.7 98.2 -95.1 -2.8 31.0 23.3 -7.4 50 60 A A E +C 31 0A 1 42,-2.1 -19,-0.3 -4,-0.2 46,-0.2 -0.760 45.1 171.9 -86.8 105.0 32.7 24.9 -4.4 51 61 A V E + 0 0 51 -21,-1.6 2,-0.3 -2,-0.9 -20,-0.2 0.445 57.3 2.8 -95.2 -1.7 33.9 21.9 -2.3 52 62 A G E -C 30 0A 0 -22,-1.3 -22,-3.5 44,-0.1 2,-0.4 -0.996 56.4-122.1-171.7 170.3 35.9 23.8 0.3 53 63 A I E -CE 29 68A 0 15,-1.2 15,-2.5 -2,-0.3 -27,-0.1 -0.995 39.7-112.1-126.4 126.1 37.2 27.0 1.8 54 64 A L E - E 0 67A 0 -26,-2.6 -27,-3.0 -2,-0.4 13,-0.3 -0.319 25.9-168.9 -58.1 130.9 41.0 27.7 2.2 55 65 A V S S+ 0 0 4 11,-2.8 -1,-0.2 1,-0.3 12,-0.1 0.887 71.6 26.0 -88.7 -44.9 42.0 27.6 5.8 56 66 A L S S- 0 0 30 10,-0.6 10,-0.3 -30,-0.1 -1,-0.3 -0.927 92.5 -98.0-121.6 145.6 45.6 29.0 5.4 57 67 A P - 0 0 48 0, 0.0 2,-0.4 0, 0.0 -31,-0.1 -0.202 35.1-137.9 -60.0 147.9 47.0 31.3 2.7 58 68 A L B -G 24 0B 13 -34,-2.8 -34,-2.0 -36,-0.1 7,-0.1 -0.890 10.5-150.9-112.0 139.7 49.0 29.7 -0.1 59 69 A E - 0 0 109 -2,-0.4 -1,-0.1 -36,-0.2 -38,-0.0 0.813 49.8-110.9 -74.0 -29.3 52.2 31.0 -1.6 60 70 A G S S+ 0 0 10 -38,-0.2 -2,-0.0 -40,-0.1 -1,-0.0 0.366 105.3 78.5 112.5 0.6 51.3 29.5 -5.0 61 71 A T + 0 0 127 -40,-0.1 2,-0.2 3,-0.1 -40,-0.1 0.297 62.5 116.9-120.6 5.6 54.0 26.8 -4.9 62 72 A E - 0 0 58 -42,-0.2 -42,-0.1 1,-0.1 3,-0.1 -0.500 52.0-155.5 -78.1 144.1 52.4 24.3 -2.5 63 73 A T S S+ 0 0 121 -2,-0.2 -45,-1.6 -46,-0.1 2,-0.3 0.616 83.1 31.8 -90.3 -15.5 51.5 20.8 -3.8 64 74 A A E -A 17 0A 50 -47,-0.3 2,-0.3 -26,-0.1 -47,-0.2 -0.927 66.2-168.6-138.6 160.9 48.9 20.5 -1.0 65 75 A L E -A 16 0A 6 -49,-2.3 -49,-1.9 -2,-0.3 2,-0.4 -0.914 20.3-121.4-144.4 168.6 46.5 22.8 0.8 66 76 A T E +A 15 0A 47 -10,-0.3 -11,-2.8 -2,-0.3 -10,-0.6 -0.955 32.3 175.3-118.4 133.0 44.2 22.8 3.9 67 77 A Y E -AE 14 54A 45 -53,-3.0 -53,-2.6 -2,-0.4 2,-0.3 -0.968 35.2-112.4-139.6 153.3 40.5 23.4 3.7 68 78 A Y E -AE 13 53A 4 -15,-2.5 -15,-1.2 -2,-0.3 -55,-0.3 -0.656 26.4-175.3 -77.7 137.6 37.4 23.5 5.8 69 79 A K E + 0 0 112 -57,-3.0 28,-0.6 -2,-0.3 2,-0.3 0.429 65.5 21.0-113.3 -3.9 35.0 20.7 4.6 70 80 A S E S+Af 12 97A 16 -58,-1.1 -58,-0.7 26,-0.1 28,-0.2 -0.969 77.8 78.3-155.6 166.1 32.1 21.5 6.9 71 81 A G E - 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