==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS/DNA 12-SEP-96 1IJS . COMPND 2 MOLECULE: PROTEIN (PARVOVIRUS COAT PROTEIN); . SOURCE 2 ORGANISM_SCIENTIFIC: CANINE PARVOVIRUS; . AUTHOR A.L.LLAMAS-SAIZ,M.AGBANDJE-MCKENNA,J.S.L.PARKER,A.T.M.WAHID, . 548 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31799.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 45.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 19.7 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 72 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 5 2 2 5 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 0 0 1 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 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 37 P G > 0 0 96 0, 0.0 2,-4.9 0, 0.0 3,-1.6 0.000 360.0 360.0 360.0-102.6 44.4 -3.1 80.7 2 38 P V T 3 + 0 0 91 1,-0.3 3,-0.0 131,-0.2 131,-0.0 0.255 360.0 75.4 -32.7 12.9 45.1 -2.0 84.4 3 39 P G T 3 S+ 0 0 72 -2,-4.9 -1,-0.3 2,-0.1 2,-0.2 0.817 90.2 44.2-100.4 -34.0 44.3 1.7 83.6 4 40 P I S < S- 0 0 141 -3,-1.6 107,-0.1 1,-0.1 -1,-0.1 -0.716 80.6 -94.3-123.0 163.5 40.5 1.9 83.3 5 41 P S - 0 0 77 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.167 18.9-163.8 -68.4 162.6 37.2 0.7 85.0 6 42 P T + 0 0 38 1,-0.2 2,-0.2 217,-0.1 -1,-0.1 0.549 65.7 6.4-123.3 -24.6 35.4 -2.4 83.9 7 43 P G - 0 0 20 101,-0.0 2,-0.3 217,-0.0 -1,-0.2 -0.787 62.9-116.5-147.8-172.8 31.9 -1.9 85.4 8 44 P T - 0 0 100 -2,-0.2 2,-0.4 -3,-0.1 102,-0.0 -0.894 25.4-114.7-134.5 159.9 29.5 0.3 87.3 9 45 P F + 0 0 96 -2,-0.3 2,-0.3 485,-0.0 485,-0.1 -0.826 35.0 165.1-101.8 134.0 27.8 0.2 90.7 10 46 P N + 0 0 36 -2,-0.4 485,-0.4 2,-0.0 20,-0.2 -0.844 15.8 158.7-156.0 112.3 24.0 -0.0 90.9 11 47 P N + 0 0 53 -2,-0.3 2,-0.2 18,-0.2 18,-0.1 -0.348 38.7 134.1-130.0 56.2 21.9 -0.9 94.0 12 48 P Q - 0 0 112 14,-0.0 16,-1.8 2,-0.0 2,-0.6 -0.560 51.5-136.8-107.6 144.4 18.6 0.6 92.9 13 49 P T E -A 27 0A 35 -2,-0.2 2,-0.4 14,-0.2 14,-0.2 -0.935 22.3-159.6-114.4 110.1 15.2 -1.0 93.1 14 50 P E E -A 26 0A 92 12,-1.9 12,-1.8 -2,-0.6 2,-0.6 -0.780 8.6-165.7 -96.6 128.6 13.2 -0.3 89.9 15 51 P F E -A 25 0A 51 -2,-0.4 2,-1.0 10,-0.2 10,-0.2 -0.912 4.3-171.4-116.0 99.1 9.4 -0.5 89.7 16 52 P K E -A 24 0A 134 8,-3.1 8,-2.0 -2,-0.6 2,-0.6 -0.811 13.8-151.2 -95.8 98.3 8.2 -0.7 86.1 17 53 P F E -A 23 0A 127 -2,-1.0 6,-0.3 6,-0.3 2,-0.1 -0.618 20.3-176.1 -76.0 115.2 4.4 -0.3 86.3 18 54 P L - 0 0 75 4,-3.5 2,-0.5 -2,-0.6 3,-0.4 -0.140 32.9 -67.0 -97.4-166.6 2.8 -2.1 83.4 19 55 P E S S+ 0 0 177 1,-0.2 -1,-0.1 2,-0.1 4,-0.0 -0.801 109.5 27.1-100.5 128.9 -0.8 -2.5 82.2 20 56 P N S S- 0 0 133 -2,-0.5 -1,-0.2 1,-0.1 483,-0.2 0.829 132.7 -59.0 90.0 48.0 -3.4 -4.4 84.2 21 57 P G S S+ 0 0 25 -3,-0.4 482,-1.5 1,-0.2 2,-0.4 0.650 100.7 141.6 61.0 19.8 -2.0 -3.9 87.7 22 58 P W E - B 0 502A 82 480,-0.2 -4,-3.5 -4,-0.1 2,-0.3 -0.780 30.2-171.5 -95.1 134.2 1.1 -5.6 86.5 23 59 P V E -AB 17 501A 0 478,-2.7 478,-1.2 -2,-0.4 2,-0.5 -0.893 19.9-137.4-127.2 156.4 4.5 -4.4 87.7 24 60 P Y E -AB 16 500A 80 -8,-2.0 -8,-3.1 -2,-0.3 2,-0.7 -0.965 17.7-167.9-115.0 112.4 8.1 -5.1 86.8 25 61 P I E +AB 15 499A 0 474,-4.3 474,-4.9 -2,-0.5 2,-0.6 -0.897 9.5 174.5-114.2 106.5 10.5 -5.4 89.8 26 62 P T E -AB 14 498A 5 -12,-1.8 -12,-1.9 -2,-0.7 2,-0.4 -0.925 11.4-166.7-112.1 99.8 14.2 -5.4 88.9 27 63 P A E -AB 13 497A 0 470,-2.8 470,-3.4 -2,-0.6 2,-0.5 -0.771 0.7-164.1 -93.3 131.0 16.3 -5.4 92.0 28 64 P N E - B 0 496A 11 -16,-1.8 2,-0.4 -2,-0.4 468,-0.2 -0.972 9.0-178.6-120.4 128.3 20.0 -4.7 91.6 29 65 P S - 0 0 0 466,-2.0 2,-0.9 -2,-0.5 -18,-0.2 -0.884 1.1-179.9-131.9 97.9 22.6 -5.4 94.3 30 66 P S + 0 0 0 -2,-0.4 2,-0.3 464,-0.3 464,-0.3 -0.844 15.6 173.5-102.4 94.9 26.2 -4.4 93.5 31 67 P R E -C 493 0A 2 462,-1.3 462,-4.3 -2,-0.9 2,-0.7 -0.774 32.1-125.8-105.2 147.9 28.3 -5.4 96.5 32 68 P L E -C 492 0A 34 131,-0.4 135,-1.4 -2,-0.3 2,-0.3 -0.859 30.0-157.4 -96.9 111.8 32.0 -5.2 96.8 33 69 P V E -Cd 491 167A 0 458,-2.5 458,-3.0 -2,-0.7 2,-0.3 -0.724 6.8-158.9 -97.5 141.6 33.4 -8.6 97.8 34 70 P H E -C 490 0A 51 133,-2.0 2,-0.3 -2,-0.3 456,-0.2 -0.852 12.1-177.2-113.7 147.5 36.7 -9.3 99.5 35 71 P L E -C 489 0A 10 454,-1.3 454,-2.5 -2,-0.3 2,-0.2 -0.967 11.0-150.2-155.1 134.6 38.5 -12.7 99.4 36 72 P N - 0 0 101 -2,-0.3 430,-0.2 452,-0.2 452,-0.2 -0.448 37.8 -79.9 -98.5 170.8 41.7 -14.1 101.0 37 73 P M - 0 0 41 450,-0.4 -1,-0.1 -2,-0.2 451,-0.1 -0.524 52.3-106.8 -73.9 128.8 44.1 -16.9 99.8 38 74 P P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 35,-0.0 -0.380 20.9-132.0 -61.1 133.8 42.9 -20.5 100.5 39 75 P E S S+ 0 0 114 1,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.937 91.6 24.0 -40.4 -73.1 44.7 -22.2 103.3 40 76 P S - 0 0 17 2,-0.2 -1,-0.1 1,-0.1 4,-0.1 -0.753 59.6-155.5-102.5 144.0 45.4 -25.3 101.3 41 77 P E S S+ 0 0 34 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.102 78.3 85.9-101.5 14.3 45.5 -25.6 97.6 42 78 P N S S- 0 0 90 29,-0.0 2,-0.3 30,-0.0 -2,-0.2 -0.852 83.3-113.5-118.1 150.3 44.7 -29.2 98.1 43 79 P Y - 0 0 49 -2,-0.3 2,-0.3 28,-0.1 28,-0.2 -0.610 34.2-156.0 -84.4 143.0 41.3 -30.9 98.5 44 80 P R E -J 70 0B 124 26,-1.9 26,-0.8 -2,-0.3 2,-0.4 -0.866 17.0-153.1-124.4 155.2 40.5 -32.5 101.9 45 81 P R E -J 69 0B 187 -2,-0.3 2,-0.4 24,-0.3 24,-0.2 -0.996 25.8-179.0-127.6 115.5 38.2 -35.1 103.2 46 82 P V E -J 68 0B 57 22,-3.3 22,-2.4 -2,-0.4 2,-0.5 -0.979 18.0-152.6-130.4 134.8 37.3 -34.6 106.8 47 83 P V E -J 67 0B 69 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.895 9.6-149.5-109.3 132.6 35.2 -36.5 109.2 48 84 P V E +J 66 0B 44 18,-2.7 18,-0.7 -2,-0.5 2,-0.5 -0.916 18.0 175.8-106.7 117.5 33.3 -34.9 112.1 49 85 P N + 0 0 82 -2,-0.6 2,-0.5 16,-0.2 16,-0.1 -0.899 13.0 168.4-130.4 100.2 32.9 -37.0 115.1 50 86 P N >> + 0 0 21 -2,-0.5 3,-1.1 1,-0.1 2,-0.8 -0.623 19.5 150.3-107.4 63.1 31.3 -35.4 118.2 51 87 P M T 34 + 0 0 80 -2,-0.5 -1,-0.1 1,-0.2 12,-0.1 -0.480 59.3 74.5 -96.3 54.5 30.8 -38.7 120.0 52 88 P D T 34 S+ 0 0 111 -2,-0.8 -1,-0.2 3,-0.0 4,-0.0 0.156 98.7 42.9-141.4 -6.9 31.1 -36.8 123.3 53 89 P K T <4 S+ 0 0 115 -3,-1.1 6,-0.4 9,-0.1 3,-0.3 0.571 109.6 56.9-112.6 -29.9 27.7 -35.3 123.0 54 90 P T S < S+ 0 0 9 -4,-0.7 -3,-0.1 1,-0.2 6,-0.0 -0.147 98.9 63.2 -96.7 32.4 26.0 -38.5 121.8 55 91 P A S S+ 0 0 57 138,-0.1 -1,-0.2 137,-0.0 -2,-0.1 0.549 72.4 84.3-126.5 -26.1 27.1 -40.5 124.8 56 92 P V S S- 0 0 92 -3,-0.3 -2,-0.1 3,-0.1 4,-0.1 0.623 94.4-132.8 -56.0 -13.5 25.3 -38.7 127.7 57 93 P N S S+ 0 0 15 2,-0.3 132,-0.2 1,-0.1 -1,-0.1 0.833 94.6 69.8 57.9 39.0 22.5 -40.9 126.6 58 94 P G S S+ 0 0 38 -5,-0.3 2,-0.6 1,-0.2 127,-0.1 0.374 83.1 70.0-141.5 -37.8 20.1 -38.0 126.7 59 95 P N + 0 0 70 -6,-0.4 -2,-0.3 1,-0.2 -1,-0.2 -0.786 43.0 137.4-102.7 111.3 21.3 -36.0 123.7 60 96 P M + 0 0 52 -2,-0.6 3,-0.5 -3,-0.1 -1,-0.2 0.428 69.9 62.4-128.3 -13.7 20.6 -37.6 120.3 61 97 P A S S+ 0 0 65 1,-0.2 257,-0.1 3,-0.0 -2,-0.1 0.335 90.3 73.0 -94.9 2.0 19.5 -34.5 118.4 62 98 P L + 0 0 83 -9,-0.1 2,-0.8 -12,-0.0 -1,-0.2 0.013 64.0 138.5-103.6 21.1 23.0 -33.1 118.9 63 99 P D + 0 0 32 -3,-0.5 -12,-0.1 1,-0.1 -3,-0.1 -0.633 20.2 168.9 -75.3 110.4 24.5 -35.5 116.4 64 100 P D + 0 0 109 -2,-0.8 2,-0.6 -14,-0.3 -1,-0.1 -0.081 28.1 132.0-112.3 27.2 27.0 -33.5 114.4 65 101 P I + 0 0 7 -15,-0.1 2,-0.3 -16,-0.1 -16,-0.2 -0.775 23.5 132.8 -91.7 121.6 28.6 -36.4 112.7 66 102 P H E -J 48 0B 35 -18,-0.7 -18,-2.7 -2,-0.6 2,-0.5 -0.944 50.0-121.7-156.8 163.6 29.1 -36.0 108.9 67 103 P A E +J 47 0B 3 109,-0.5 109,-4.1 -2,-0.3 2,-0.3 -0.959 36.5 172.2-120.7 111.3 31.7 -36.5 106.3 68 104 P E E -JK 46 175B 50 -22,-2.4 -22,-3.3 -2,-0.5 2,-0.5 -0.896 24.8-142.8-124.0 151.4 32.6 -33.4 104.2 69 105 P I E -JK 45 174B 5 105,-2.4 105,-1.4 -2,-0.3 2,-0.3 -0.957 18.8-139.6-114.5 125.5 35.3 -32.5 101.7 70 106 P V E -JK 44 173B 38 -26,-0.8 -26,-1.9 -2,-0.5 103,-0.2 -0.645 11.7-156.2 -88.4 141.6 36.8 -29.1 101.7 71 107 P T E - 0 0 4 101,-2.1 101,-0.3 -2,-0.3 -28,-0.1 -0.951 22.4-136.0-118.7 134.0 37.6 -27.2 98.4 72 108 P P E S+ 0 0 7 0, 0.0 2,-0.3 0, 0.0 394,-0.3 0.690 82.7 103.5 -60.4 -13.6 40.2 -24.5 98.0 73 109 P W E - 0 0 1 392,-0.1 99,-2.3 98,-0.1 2,-0.5 -0.554 67.2-145.8 -77.7 130.2 37.4 -22.8 96.1 74 110 P S E -LK 464 171B 16 390,-1.3 390,-3.2 -2,-0.3 2,-0.1 -0.864 17.3-147.0 -99.4 123.5 35.5 -20.0 97.7 75 111 P L E -LK 463 170B 1 95,-2.9 95,-1.2 -2,-0.5 2,-0.4 -0.339 3.3-145.5 -87.4 168.7 31.8 -19.8 96.8 76 112 P V E -L 462 0B 6 386,-1.5 386,-0.6 93,-0.2 2,-0.4 -0.960 15.0-173.9-141.4 115.5 29.4 -16.8 96.5 77 113 P D + 0 0 18 -2,-0.4 384,-0.0 80,-0.2 -2,-0.0 -0.923 21.2 162.4-116.2 137.7 25.7 -17.0 97.4 78 114 P A + 0 0 4 -2,-0.4 2,-2.0 80,-0.1 5,-0.1 0.035 36.8 126.4-136.8 18.1 23.1 -14.3 96.8 79 115 P N + 0 0 1 354,-0.1 354,-0.4 4,-0.0 2,-0.3 -0.525 49.9 99.1 -83.3 69.0 20.1 -16.5 97.2 80 116 P A S S- 0 0 0 -2,-2.0 4,-0.2 352,-0.2 352,-0.2 -0.955 71.6-132.3-150.3 162.3 18.4 -14.3 99.9 81 117 P W S >> S+ 0 0 0 350,-1.1 4,-1.3 349,-0.4 3,-0.9 0.818 101.8 62.1 -84.5 -38.0 15.8 -11.7 100.3 82 118 P G T 34 S+ 0 0 1 349,-0.3 -1,-0.1 1,-0.2 349,-0.1 0.700 99.9 55.3 -64.5 -24.2 17.9 -9.2 102.4 83 119 P V T 34 S+ 0 0 1 1,-0.2 -1,-0.2 347,-0.1 -2,-0.1 0.713 111.9 42.1 -82.5 -22.3 20.4 -8.8 99.6 84 120 P W T <4 S+ 0 0 5 -3,-0.9 2,-0.3 -4,-0.2 -2,-0.2 0.606 119.6 28.1-102.6 -18.4 17.9 -7.7 97.0 85 121 P F < - 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