==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS/RNA 06-JAN-98 6MSF . COMPND 2 MOLECULE: PROTEIN (MS2 PROTEIN CAPSID); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIO PHAGE MS2; . AUTHOR M.A.CONVERY,S.ROWSELL,N.J.STONEHOUSE,A.D.ELLINGTON,I.HIRAO, . 387 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25069.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 72.1 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 . 126 32.6 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 . 58 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 14.0 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 2 1 0 0 0 0 0 0 2 1 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 4 4 0 1 2 1 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 . 1 0 0 1 2 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 0 157 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-162.3 -94.0 55.7 75.3 2 2 A S - 0 0 62 151,-0.0 260,-0.0 150,-0.0 151,-0.0 -0.656 360.0-149.9 175.7 128.1 -91.1 55.8 72.8 3 3 A N S S+ 0 0 147 -2,-0.2 2,-2.1 1,-0.1 0, 0.0 0.470 73.0 101.7 -90.9 -1.2 -88.0 57.9 73.4 4 4 A F + 0 0 22 257,-0.1 2,-0.2 17,-0.0 -1,-0.1 -0.489 57.1 132.7 -84.0 73.0 -87.5 58.5 69.7 5 5 A T - 0 0 66 -2,-2.1 2,-0.1 16,-0.1 -2,-0.0 -0.692 60.3 -95.3-118.5 169.7 -89.0 62.0 69.7 6 6 A Q + 0 0 122 -2,-0.2 2,-0.3 15,-0.1 15,-0.2 -0.474 44.1 174.1 -82.0 156.5 -88.0 65.4 68.3 7 7 A F E -A 20 0A 80 13,-2.3 13,-3.2 -2,-0.1 2,-0.7 -0.974 37.3 -97.0-156.1 163.0 -86.1 67.8 70.5 8 8 A V E -A 19 0A 72 -2,-0.3 11,-0.3 11,-0.3 3,-0.2 -0.816 29.5-176.8 -93.4 119.3 -84.4 71.2 70.3 9 9 A L E S+ 0 0 54 9,-1.7 2,-0.5 -2,-0.7 10,-0.2 0.857 76.7 35.8 -78.4 -41.7 -80.7 70.9 69.8 10 10 A V E S-A 18 0A 45 8,-2.1 8,-2.2 2,-0.0 2,-0.8 -0.955 73.0-157.6-121.5 113.5 -79.9 74.6 70.0 11 11 A D + 0 0 116 -2,-0.5 6,-0.1 6,-0.2 8,-0.0 -0.808 22.4 163.4 -93.2 111.7 -81.9 76.7 72.3 12 12 A N S > S- 0 0 98 -2,-0.8 3,-0.5 0, 0.0 -1,-0.1 -0.021 73.5 -79.7-114.2 26.6 -81.9 80.4 71.2 13 13 A G T 3 S- 0 0 59 1,-0.2 -2,-0.1 3,-0.1 3,-0.0 0.808 80.6 -60.6 83.0 32.9 -84.8 81.4 73.3 14 14 A G T 3 S+ 0 0 57 1,-0.1 2,-0.6 2,-0.0 -1,-0.2 0.202 125.0 86.3 82.2 -18.8 -87.7 80.2 71.2 15 15 A T S < S+ 0 0 117 -3,-0.5 -1,-0.1 1,-0.2 -4,-0.0 -0.899 103.0 6.1-120.7 102.8 -86.6 82.5 68.3 16 16 A G S S+ 0 0 57 -2,-0.6 -1,-0.2 1,-0.2 2,-0.2 0.611 89.7 164.8 100.3 18.6 -84.0 81.0 66.0 17 17 A D - 0 0 51 -3,-0.2 2,-0.8 -5,-0.1 -1,-0.2 -0.448 34.1-139.8 -70.2 137.2 -84.2 77.6 67.8 18 18 A V E -A 10 0A 24 -8,-2.2 -8,-2.1 -2,-0.2 -9,-1.7 -0.886 25.2-176.8-101.8 108.6 -82.7 74.6 66.0 19 19 A T E -A 8 0A 62 -2,-0.8 16,-0.6 -11,-0.3 2,-0.4 -0.852 8.5-156.5-107.1 144.2 -85.0 71.7 66.5 20 20 A V E -AB 7 34A 0 -13,-3.2 -13,-2.3 -2,-0.4 14,-0.3 -0.927 8.0-161.4-121.9 142.4 -84.1 68.3 65.2 21 21 A A E - B 0 33A 31 12,-2.9 12,-2.1 -2,-0.4 -15,-0.1 -0.917 31.8 -84.6-130.6 155.4 -86.5 65.4 64.4 22 22 A P E + B 0 32A 40 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.262 49.7 157.7 -53.5 129.9 -86.5 61.6 63.9 23 23 A S E + 0 0 40 8,-3.1 2,-0.3 1,-0.4 9,-0.2 0.463 57.3 6.1-133.0 -13.1 -85.6 60.8 60.3 24 24 A N E + B 0 31A 53 7,-1.5 7,-3.0 1,-0.1 -1,-0.4 -0.948 29.7 177.7-173.1 150.3 -84.3 57.3 60.3 25 25 A F > + 0 0 47 -2,-0.3 3,-1.2 5,-0.2 132,-0.6 0.116 40.3 142.9-140.7 16.4 -83.7 54.1 62.3 26 26 A A G > S+ 0 0 18 1,-0.2 3,-1.2 2,-0.2 260,-0.1 -0.369 72.6 9.2 -65.6 138.0 -82.2 51.9 59.5 27 27 A N G 3 S- 0 0 97 258,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.763 128.9 -68.5 63.7 27.9 -79.5 49.5 60.6 28 28 A G G < S+ 0 0 12 -3,-1.2 2,-0.7 1,-0.2 20,-0.3 0.672 103.0 125.3 69.1 16.7 -80.0 50.3 64.3 29 29 A V < - 0 0 56 -3,-1.2 2,-0.3 18,-0.1 18,-0.2 -0.924 53.1-146.4-111.5 109.8 -78.8 53.8 64.0 30 30 A A E - C 0 46A 11 16,-2.3 16,-2.0 -2,-0.7 2,-0.4 -0.577 22.5-168.0 -73.3 132.3 -81.3 56.3 65.3 31 31 A E E -BC 24 45A 17 -7,-3.0 -8,-3.1 -2,-0.3 -7,-1.5 -0.974 16.2-177.6-130.5 143.2 -81.1 59.5 63.3 32 32 A W E -BC 22 44A 29 12,-2.6 12,-2.4 -2,-0.4 2,-0.3 -0.942 7.7-177.8-130.2 150.3 -82.5 63.0 63.7 33 33 A I E -BC 21 43A 29 -12,-2.1 -12,-2.9 -2,-0.3 10,-0.2 -0.975 27.8-108.7-146.9 158.2 -82.2 66.0 61.3 34 34 A S E -B 20 0A 4 8,-1.4 2,-3.0 -2,-0.3 -14,-0.2 -0.495 48.6 -91.0 -84.1 158.1 -83.2 69.7 61.3 35 35 A S S S+ 0 0 94 -16,-0.6 2,-0.2 -2,-0.2 323,-0.1 -0.345 92.3 103.9 -69.1 67.0 -86.0 70.9 58.9 36 36 A N S S- 0 0 55 -2,-3.0 2,-0.2 6,-0.1 5,-0.1 -0.733 83.7 -70.6-135.0-177.9 -83.5 71.7 56.1 37 37 A S >> - 0 0 2 -2,-0.2 3,-2.0 1,-0.1 4,-0.8 -0.527 53.0-111.8 -74.6 147.6 -82.2 70.4 52.9 38 38 A R T 34 S+ 0 0 59 318,-0.8 3,-0.3 1,-0.3 317,-0.2 0.776 118.4 58.7 -53.9 -24.7 -80.1 67.3 53.5 39 39 A S T 34 S+ 0 0 12 315,-2.2 -1,-0.3 1,-0.2 316,-0.1 0.706 115.0 32.4 -79.9 -19.3 -77.1 69.3 52.4 40 40 A Q T <4 S+ 0 0 29 -3,-2.0 -1,-0.2 314,-0.3 -2,-0.2 0.260 94.7 124.7-119.2 11.3 -77.6 72.0 55.0 41 41 A A < - 0 0 5 -4,-0.8 2,-0.4 -3,-0.3 -6,-0.1 -0.350 61.3-124.4 -83.3 154.9 -79.0 70.0 57.9 42 42 A Y - 0 0 50 -23,-0.1 -8,-1.4 22,-0.1 2,-0.4 -0.732 36.8-158.0 -84.4 138.5 -78.0 69.5 61.5 43 43 A K E -CD 33 63A 72 20,-1.5 20,-2.5 -2,-0.4 2,-0.4 -0.981 17.6-178.7-129.8 135.8 -77.6 65.8 62.0 44 44 A V E +CD 32 62A 8 -12,-2.4 -12,-2.6 -2,-0.4 2,-0.3 -0.997 7.0 178.5-132.6 129.1 -77.7 63.7 65.2 45 45 A T E -CD 31 61A 23 16,-2.5 16,-2.6 -2,-0.4 2,-0.3 -0.957 3.1-177.5-130.8 151.3 -77.2 59.9 65.4 46 46 A C E +CD 30 60A 32 -16,-2.0 -16,-2.3 -2,-0.3 2,-0.3 -0.999 4.5 170.2-148.8 143.2 -77.1 57.5 68.2 47 47 A S E - D 0 59A 34 12,-1.4 12,-3.0 -2,-0.3 2,-0.4 -0.991 15.7-155.0-155.0 145.4 -76.5 53.7 68.6 48 48 A V E + D 0 58A 43 -20,-0.3 2,-0.3 -2,-0.3 10,-0.2 -0.983 18.0 170.1-123.3 134.9 -76.0 51.2 71.4 49 49 A R E - D 0 57A 132 8,-2.0 8,-3.1 -2,-0.4 2,-1.4 -0.952 43.2-112.6-139.1 156.0 -74.2 47.9 71.0 50 50 A Q - 0 0 97 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.732 39.0-177.7 -90.5 87.7 -73.0 45.3 73.5 51 51 A S + 0 0 48 -2,-1.4 -1,-0.2 3,-0.0 2,-0.2 0.898 62.7 6.5 -52.8 -54.4 -69.3 45.9 72.9 52 52 A S S S- 0 0 52 3,-0.6 3,-0.2 -3,-0.2 5,-0.1 -0.532 90.7 -90.9-118.9-171.9 -67.9 43.3 75.2 53 53 A A S S+ 0 0 84 1,-0.2 -2,-0.0 -2,-0.2 -1,-0.0 0.796 129.5 27.6 -72.5 -25.2 -69.5 40.5 77.3 54 54 A Q S S+ 0 0 77 39,-0.0 40,-2.2 40,-0.0 41,-0.3 0.256 113.1 72.2-121.0 12.7 -69.7 43.0 80.1 55 55 A N E - E 0 93A 51 38,-0.2 -3,-0.6 -3,-0.2 2,-0.4 -0.907 52.5-159.4-129.8 157.0 -69.9 46.4 78.4 56 56 A R E - E 0 92A 30 36,-1.7 36,-2.6 -2,-0.3 2,-0.5 -0.987 15.7-154.5-131.5 139.3 -72.4 48.4 76.4 57 57 A K E -DE 49 91A 32 -8,-3.1 -8,-2.0 -2,-0.4 2,-0.5 -0.969 5.9-159.2-126.2 129.0 -71.3 51.2 74.2 58 58 A Y E -DE 48 90A 65 32,-2.9 32,-2.5 -2,-0.5 2,-0.6 -0.869 6.4-163.8-101.6 132.0 -73.3 54.2 73.0 59 59 A T E +DE 47 89A 25 -12,-3.0 -12,-1.4 -2,-0.5 2,-0.4 -0.967 12.5 178.2-118.9 115.2 -72.0 56.0 69.9 60 60 A I E -DE 46 88A 43 28,-2.9 28,-2.8 -2,-0.6 2,-0.4 -0.953 3.7-175.2-118.7 135.9 -73.5 59.5 69.5 61 61 A K E -DE 45 87A 105 -16,-2.6 -16,-2.5 -2,-0.4 2,-0.4 -0.985 5.3-172.5-132.5 142.6 -72.6 61.8 66.7 62 62 A V E -DE 44 86A 22 24,-2.1 24,-3.0 -2,-0.4 2,-0.5 -0.998 6.1-161.8-134.1 136.4 -73.6 65.4 66.0 63 63 A E E -DE 43 85A 47 -20,-2.5 -20,-1.5 -2,-0.4 22,-0.2 -0.972 3.6-167.0-122.0 116.3 -72.9 67.5 62.9 64 64 A V E - E 0 84A 55 20,-2.5 20,-3.0 -2,-0.5 2,-0.2 -0.905 13.9-155.4-106.0 115.3 -73.2 71.3 63.1 65 65 A P E - E 0 83A 8 0, 0.0 2,-0.8 0, 0.0 18,-0.2 -0.571 18.2-141.5 -91.7 153.2 -73.2 73.0 59.7 66 66 A K E - E 0 82A 111 16,-2.5 15,-2.7 -2,-0.2 16,-0.6 -0.916 36.2-139.5-107.4 95.6 -72.2 76.5 58.7 67 67 A V E + E 0 80A 80 -2,-0.8 2,-0.3 13,-0.2 13,-0.2 -0.295 33.4 158.0 -63.1 142.0 -75.0 77.2 56.1 68 68 A A E - E 0 79A 36 11,-2.6 11,-2.8 9,-0.0 2,-0.6 -0.988 40.1-121.0-159.5 158.8 -74.1 79.0 52.9 69 69 A T E - E 0 78A 94 -2,-0.3 2,-0.3 9,-0.2 11,-0.0 -0.916 31.9-167.0-111.7 110.0 -75.3 79.5 49.3 70 70 A Q E - E 0 77A 112 7,-1.9 7,-3.2 -2,-0.6 2,-0.7 -0.652 17.1-136.8 -96.9 151.6 -72.8 78.5 46.7 71 71 A T E + E 0 76A 86 -2,-0.3 2,-0.6 5,-0.2 3,-0.3 -0.858 27.0 174.7-111.1 97.4 -72.8 79.2 43.0 72 72 A V E > S- E 0 75A 78 3,-1.8 3,-1.3 -2,-0.7 -2,-0.0 -0.904 72.8 -9.3-105.9 119.0 -71.9 76.2 41.0 73 73 A G T 3 S- 0 0 78 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.856 128.0 -57.9 65.5 34.9 -72.1 76.5 37.2 74 74 A G T 3 S+ 0 0 73 -3,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.372 117.8 111.1 77.5 -6.4 -73.9 79.9 37.5 75 75 A V E < -E 72 0A 88 -3,-1.3 -3,-1.8 2,-0.0 2,-0.5 -0.815 67.7-125.7-104.3 141.2 -76.6 78.2 39.5 76 76 A E E -E 71 0A 144 -2,-0.4 -5,-0.2 -5,-0.2 -7,-0.0 -0.734 29.9-177.1 -90.3 127.5 -77.3 78.9 43.2 77 77 A L E -E 70 0A 46 -7,-3.2 -7,-1.9 -2,-0.5 2,-0.6 -0.950 31.3-118.3-127.0 142.5 -77.4 75.9 45.6 78 78 A P E +E 69 0A 31 0, 0.0 2,-0.2 0, 0.0 -9,-0.2 -0.648 55.7 148.9 -77.0 120.0 -78.1 75.5 49.3 79 79 A V E -E 68 0A 34 -11,-2.8 -11,-2.6 -2,-0.6 2,-0.5 -0.793 48.0-103.3-141.5-178.5 -74.9 74.0 50.7 80 80 A A E -E 67 0A 23 -2,-0.2 -13,-0.2 -13,-0.2 3,-0.1 -0.967 12.4-155.0-118.0 121.8 -72.7 73.9 53.9 81 81 A A E S- 0 0 63 -15,-2.7 2,-0.3 -2,-0.5 -1,-0.1 0.875 79.0 -32.3 -58.8 -37.9 -69.5 76.0 54.0 82 82 A W E -E 66 0A 147 -16,-0.6 -16,-2.5 -3,-0.1 2,-0.3 -0.957 61.4-127.8-170.6 169.9 -68.1 73.5 56.5 83 83 A R E -E 65 0A 48 -2,-0.3 2,-0.4 -18,-0.2 -20,-0.0 -0.975 8.4-139.4-134.5 145.9 -69.3 71.3 59.4 84 84 A S E -E 64 0A 68 -20,-3.0 -20,-2.5 -2,-0.3 2,-0.5 -0.880 23.7-149.7-101.7 135.8 -68.3 70.8 63.0 85 85 A Y E -E 63 0A 140 -2,-0.4 2,-0.6 -22,-0.2 -22,-0.2 -0.929 12.1-169.9-115.8 120.4 -68.2 67.1 64.0 86 86 A L E -E 62 0A 79 -24,-3.0 -24,-2.1 -2,-0.5 2,-0.5 -0.915 9.0-178.8-105.1 123.4 -68.9 65.9 67.5 87 87 A N E +E 61 0A 103 -2,-0.6 2,-0.4 -26,-0.2 -26,-0.2 -0.973 4.8 174.0-125.4 116.9 -68.1 62.2 68.1 88 88 A M E -E 60 0A 65 -28,-2.8 -28,-2.9 -2,-0.5 2,-0.4 -0.986 13.3-170.2-130.3 135.9 -68.7 60.7 71.5 89 89 A E E -E 59 0A 125 -2,-0.4 2,-0.5 -30,-0.2 -30,-0.2 -0.984 5.2-167.8-121.1 127.3 -68.5 57.1 72.8 90 90 A L E -E 58 0A 42 -32,-2.5 -32,-2.9 -2,-0.4 2,-0.6 -0.962 1.7-165.7-120.3 118.9 -69.8 56.1 76.2 91 91 A T E -E 57 0A 74 -2,-0.5 -34,-0.2 -34,-0.2 -2,-0.0 -0.916 10.5-178.9-108.2 116.0 -68.9 52.7 77.6 92 92 A I E -E 56 0A 11 -36,-2.6 -36,-1.7 -2,-0.6 2,-0.1 -0.937 26.7-121.9-117.8 130.6 -71.0 51.6 80.6 93 93 A P E > -E 55 0A 65 0, 0.0 3,-2.1 0, 0.0 -38,-0.2 -0.426 23.0-122.5 -69.1 145.5 -70.5 48.3 82.5 94 94 A I T 3 S+ 0 0 14 -40,-2.2 75,-2.5 1,-0.3 76,-0.3 0.641 108.7 68.7 -61.7 -14.7 -73.6 46.0 82.6 95 95 A F T 3 S+ 0 0 21 -41,-0.3 2,-0.4 73,-0.2 -1,-0.3 0.443 73.3 113.0 -83.9 -0.8 -73.4 46.1 86.4 96 96 A A < - 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