==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS/RNA 13-MAY-05 2BS0 . COMPND 2 MOLECULE: COAT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE MS2; . AUTHOR W.T.HORN,K.TARS,E.GRAHN,C.HELGSTRAND,A.J.BARON,H.LAGO, . 387 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20803.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 71.1 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 . 131 33.9 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 . 4 1.0 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 . 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 . 49 12.7 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 . 55 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 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 5 0 0 3 1 0 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 1 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 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 0 138 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -64.0 66.9 -110.1 32.4 2 2 A S - 0 0 36 1,-0.0 256,-0.1 3,-0.0 260,-0.0 0.621 360.0-159.1 97.2 109.7 64.1 -108.5 30.2 3 3 A N + 0 0 15 254,-0.1 2,-2.3 1,-0.1 248,-0.1 0.424 65.4 104.9 -94.1 -0.9 60.5 -109.3 31.1 4 4 A F + 0 0 16 257,-0.1 2,-0.3 243,-0.1 -1,-0.1 -0.494 55.1 132.5 -81.6 74.5 59.2 -108.4 27.7 5 5 A T - 0 0 58 -2,-2.3 2,-0.1 16,-0.1 -2,-0.0 -0.804 60.6 -99.4-122.4 162.7 58.7 -112.0 26.7 6 6 A Q + 0 0 123 -2,-0.3 2,-0.3 15,-0.1 15,-0.2 -0.434 42.7 178.1 -78.3 157.7 55.9 -114.0 25.1 7 7 A F E -A 20 0A 9 13,-2.1 13,-2.8 -2,-0.1 2,-0.7 -0.977 36.7 -95.8-154.5 160.6 53.6 -116.1 27.3 8 8 A V E -A 19 0A 50 -2,-0.3 11,-0.3 11,-0.3 3,-0.2 -0.752 32.7-177.4 -86.7 117.2 50.5 -118.3 27.0 9 9 A L E S+ 0 0 0 9,-1.8 2,-0.6 -2,-0.7 231,-0.6 0.896 75.8 33.7 -78.9 -46.3 47.4 -116.2 27.7 10 10 A V E S-A 18 0A 0 8,-2.1 8,-2.4 230,-0.1 2,-0.6 -0.945 76.7-158.6-117.0 111.7 44.9 -119.0 27.4 11 11 A D + 0 0 78 -2,-0.6 6,-0.1 225,-0.2 228,-0.0 -0.808 24.6 161.9 -96.0 120.8 46.1 -122.4 28.6 12 12 A N S S- 0 0 77 -2,-0.6 3,-0.5 224,-0.0 -1,-0.1 -0.149 72.7 -79.6-122.6 32.4 44.2 -125.5 27.3 13 13 A G S S- 0 0 52 1,-0.2 2,-3.2 3,-0.1 -2,-0.0 0.991 85.2 -46.3 67.5 82.3 46.9 -128.0 28.2 14 14 A G S S+ 0 0 66 2,-0.1 2,-0.5 0, 0.0 3,-0.3 -0.172 127.8 61.5 63.5 -53.1 49.6 -127.9 25.6 15 15 A T S S+ 0 0 124 -2,-3.2 3,-0.1 -3,-0.5 -4,-0.0 -0.930 103.3 23.2-115.2 130.6 47.3 -127.9 22.5 16 16 A G S S+ 0 0 62 -2,-0.5 -1,-0.2 1,-0.3 2,-0.1 0.427 86.3 154.5 99.0 3.8 44.8 -125.3 21.6 17 17 A D - 0 0 42 -3,-0.3 2,-0.8 -5,-0.1 -1,-0.3 -0.361 43.1-137.5 -66.5 139.0 46.7 -122.8 23.7 18 18 A V E -A 10 0A 21 -8,-2.4 -8,-2.1 -3,-0.1 -9,-1.8 -0.888 27.7-173.8 -99.7 109.1 46.4 -119.1 22.9 19 19 A T E -A 8 0A 60 -2,-0.8 16,-0.5 -11,-0.3 2,-0.4 -0.867 7.4-157.5-108.4 141.9 49.9 -117.7 23.1 20 20 A V E -AB 7 34A 0 -13,-2.8 -13,-2.1 -2,-0.4 14,-0.2 -0.920 7.3-160.5-120.1 141.4 50.7 -114.0 22.8 21 21 A A E - B 0 33A 30 12,-2.1 12,-2.1 -2,-0.4 -15,-0.1 -0.916 31.6 -87.2-128.9 152.8 54.0 -112.3 21.9 22 22 A P E + B 0 32A 40 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.238 51.1 157.2 -51.2 130.5 55.9 -108.9 22.1 23 23 A S E + 0 0 43 8,-3.1 2,-0.3 1,-0.4 9,-0.2 0.479 54.4 4.2-137.8 -9.4 54.8 -106.8 19.2 24 24 A N E + B 0 31A 47 7,-1.2 7,-2.9 1,-0.1 -1,-0.4 -0.913 30.4 179.1-175.5 149.1 55.3 -103.1 20.0 25 25 A F > + 0 0 67 -2,-0.3 3,-1.3 5,-0.2 5,-0.2 0.092 37.8 146.8-141.1 18.3 56.6 -100.7 22.6 26 26 A A G > S+ 0 0 18 1,-0.3 3,-1.3 2,-0.2 260,-0.1 -0.337 72.5 7.7 -62.4 137.3 56.0 -97.4 20.8 27 27 A N G 3 S- 0 0 118 258,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.775 128.8 -67.7 61.9 29.8 55.1 -94.5 23.1 28 28 A G G < S+ 0 0 47 -3,-1.3 2,-0.6 1,-0.2 20,-0.3 0.627 103.3 122.3 70.0 13.2 55.8 -96.4 26.2 29 29 A V < - 0 0 59 -3,-1.3 2,-0.3 18,-0.1 18,-0.2 -0.933 55.1-144.1-111.5 112.4 53.0 -98.9 25.8 30 30 A A E - C 0 46A 0 16,-2.5 16,-2.1 -2,-0.6 2,-0.4 -0.587 21.6-166.2 -75.2 131.3 54.1 -102.5 25.7 31 31 A E E -BC 24 45A 19 -7,-2.9 -8,-3.1 -2,-0.3 -7,-1.2 -0.948 15.9-177.2-125.9 143.5 52.0 -104.6 23.4 32 32 A W E +BC 22 44A 0 12,-2.6 12,-2.5 -2,-0.4 2,-0.3 -0.986 9.7 179.7-131.6 138.6 51.6 -108.3 22.8 33 33 A I E -BC 21 43A 29 -12,-2.1 -12,-2.1 -2,-0.4 10,-0.2 -0.983 28.1-111.0-140.4 154.3 49.4 -109.9 20.1 34 34 A S E -B 20 0A 5 8,-1.8 2,-2.3 -2,-0.3 -14,-0.2 -0.333 46.5 -90.4 -76.1 165.1 48.6 -113.4 19.1 35 35 A S S S+ 0 0 91 -16,-0.5 2,-0.2 -2,-0.1 323,-0.1 -0.408 90.3 99.7 -77.3 67.4 49.8 -114.8 15.8 36 36 A N S S- 0 0 67 -2,-2.3 2,-0.2 6,-0.1 5,-0.1 -0.728 85.3 -63.5-135.8-174.4 46.8 -113.8 13.7 37 37 A S >> - 0 0 1 -2,-0.2 3,-2.6 1,-0.1 4,-1.3 -0.511 56.4-111.3 -71.2 146.0 45.6 -111.2 11.3 38 38 A R T 34 S+ 0 0 60 318,-0.8 317,-0.2 1,-0.3 -1,-0.1 0.804 118.6 59.4 -50.1 -29.4 45.6 -107.9 13.1 39 39 A S T 34 S+ 0 0 17 315,-2.1 -1,-0.3 1,-0.2 316,-0.1 0.615 115.1 30.6 -77.8 -13.8 41.8 -108.0 12.8 40 40 A Q T <4 S+ 0 0 31 -3,-2.6 -1,-0.2 314,-0.2 -2,-0.2 0.369 92.4 123.5-122.9 0.7 41.4 -111.3 14.7 41 41 A A < - 0 0 5 -4,-1.3 2,-0.3 -3,-0.1 -6,-0.1 -0.285 61.7-124.5 -70.9 148.2 44.3 -111.1 17.1 42 42 A Y - 0 0 28 -23,-0.1 -8,-1.8 22,-0.1 2,-0.4 -0.662 37.2-157.2 -80.5 144.6 44.2 -111.4 20.9 43 43 A K E -CD 33 63A 59 20,-1.7 20,-2.8 -2,-0.3 2,-0.4 -0.984 20.2-177.5-134.9 144.5 45.8 -108.3 22.3 44 44 A V E -CD 32 62A 0 -12,-2.5 -12,-2.6 -2,-0.4 2,-0.3 -1.000 8.1-178.0-136.9 133.8 47.5 -107.3 25.6 45 45 A T E -CD 31 61A 28 16,-2.3 16,-2.2 -2,-0.4 2,-0.3 -0.983 1.6-178.9-135.2 149.0 48.9 -103.9 26.6 46 46 A C E +CD 30 60A 3 -16,-2.1 -16,-2.5 -2,-0.3 2,-0.3 -1.000 6.2 164.1-149.0 144.1 50.7 -102.6 29.6 47 47 A S E - D 0 59A 34 12,-1.2 12,-2.8 -2,-0.3 2,-0.4 -0.985 18.0-149.6-156.3 151.8 52.2 -99.3 30.8 48 48 A V E + D 0 58A 44 -20,-0.3 2,-0.3 -2,-0.3 10,-0.2 -0.952 15.8 178.6-126.0 149.8 53.3 -97.7 34.1 49 49 A R E - D 0 57A 152 8,-1.5 8,-3.3 -2,-0.4 2,-1.9 -0.997 38.9-122.0-151.9 145.0 53.3 -94.1 35.1 50 50 A Q + 0 0 105 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.525 43.6 174.8 -86.3 69.0 54.2 -92.1 38.2 51 51 A S + 0 0 39 -2,-1.9 -1,-0.2 3,-0.1 5,-0.2 0.862 57.6 22.0 -41.8 -62.4 50.6 -90.7 38.5 52 52 A S S S- 0 0 56 3,-0.4 3,-0.2 -3,-0.2 5,-0.1 -0.293 93.8 -96.4 -98.6-172.3 50.8 -88.7 41.7 53 53 A A S S+ 0 0 84 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.773 128.9 23.3 -75.6 -25.2 53.8 -87.3 43.5 54 54 A Q S S+ 0 0 92 39,-0.0 40,-1.7 40,-0.0 41,-0.3 0.060 113.7 76.9-131.0 29.3 53.7 -90.5 45.6 55 55 A N E - E 0 93A 30 38,-0.2 -3,-0.4 -3,-0.2 2,-0.4 -0.965 52.5-156.3-138.4 153.3 51.9 -93.1 43.4 56 56 A R E - E 0 92A 36 36,-1.8 36,-2.5 -2,-0.3 2,-0.4 -0.974 15.7-156.9-126.4 140.2 52.6 -95.3 40.5 57 57 A K E -DE 49 91A 56 -8,-3.3 -8,-1.5 -2,-0.4 2,-0.4 -0.980 3.9-157.1-126.9 126.8 49.8 -96.5 38.2 58 58 A Y E -DE 48 90A 1 32,-2.6 32,-2.2 -2,-0.4 2,-0.5 -0.818 6.2-161.1 -97.2 137.3 49.8 -99.6 36.0 59 59 A T E +DE 47 89A 22 -12,-2.8 -12,-1.2 -2,-0.4 2,-0.4 -0.963 14.8 176.9-122.6 114.5 47.3 -99.7 33.1 60 60 A I E -DE 46 88A 3 28,-2.5 28,-2.8 -2,-0.5 2,-0.3 -0.941 4.7-178.6-121.2 138.3 46.7 -103.1 31.7 61 61 A K E -DE 45 87A 113 -16,-2.2 -16,-2.3 -2,-0.4 2,-0.4 -0.990 7.0-170.1-137.3 144.1 44.3 -104.1 28.9 62 62 A V E -DE 44 86A 6 24,-2.2 24,-2.8 -2,-0.3 2,-0.5 -0.999 6.2-160.2-134.6 136.4 43.3 -107.4 27.3 63 63 A E E -DE 43 85A 44 -20,-2.8 -20,-1.7 -2,-0.4 22,-0.2 -0.967 5.4-171.1-119.6 115.4 41.2 -108.0 24.2 64 64 A V E - E 0 84A 10 20,-2.3 20,-3.0 -2,-0.5 2,-0.2 -0.927 14.6-156.3-109.1 115.8 39.6 -111.4 23.6 65 65 A P E - E 0 83A 9 0, 0.0 2,-0.7 0, 0.0 18,-0.2 -0.565 19.2-143.0 -94.0 155.0 38.0 -111.8 20.1 66 66 A K E - E 0 82A 83 16,-2.3 15,-3.0 -2,-0.2 16,-0.7 -0.915 35.4-141.8-111.0 96.0 35.2 -114.1 18.8 67 67 A V E + E 0 80A 79 -2,-0.7 2,-0.3 13,-0.3 13,-0.3 -0.272 31.4 157.5 -65.4 147.2 36.6 -114.9 15.4 68 68 A A E - E 0 79A 38 11,-2.6 11,-2.7 9,-0.0 2,-0.5 -0.950 39.7-114.7-157.5 169.6 34.3 -115.1 12.3 69 69 A T E - E 0 78A 94 -2,-0.3 2,-0.4 9,-0.2 7,-0.0 -0.968 32.1-164.3-118.2 118.2 34.4 -114.9 8.5 70 70 A Q E - E 0 77A 107 7,-2.5 7,-2.9 -2,-0.5 2,-0.7 -0.864 15.7-138.4-110.4 138.5 32.4 -112.0 7.1 71 71 A T E + E 0 76A 84 -2,-0.4 2,-0.6 5,-0.2 5,-0.3 -0.814 25.2 177.4 -94.3 111.8 31.3 -111.5 3.5 72 72 A V E > S- E 0 75A 74 3,-3.2 3,-0.9 -2,-0.7 -2,-0.0 -0.940 72.3 -14.8-118.4 109.2 31.8 -107.9 2.4 73 73 A G T 3 S- 0 0 80 -2,-0.6 -1,-0.2 1,-0.2 3,-0.1 0.897 129.6 -51.6 67.7 39.5 30.9 -107.1 -1.2 74 74 A G T 3 S+ 0 0 72 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.450 120.4 105.5 77.7 -1.1 30.9 -110.7 -2.2 75 75 A V E < -E 72 0A 89 -3,-0.9 -3,-3.2 -5,-0.0 2,-0.4 -0.928 67.2-129.3-117.0 138.4 34.3 -111.4 -0.7 76 76 A E E -E 71 0A 138 -2,-0.4 -5,-0.2 -5,-0.3 -7,-0.0 -0.700 27.3-177.6 -89.1 132.8 35.1 -113.2 2.5 77 77 A L E -E 70 0A 42 -7,-2.9 -7,-2.5 -2,-0.4 2,-0.6 -0.938 31.7-110.5-128.9 148.3 37.3 -111.6 5.1 78 78 A P E +E 69 0A 35 0, 0.0 2,-0.2 0, 0.0 -9,-0.2 -0.670 54.8 152.2 -79.5 119.6 38.7 -112.7 8.5 79 79 A V E -E 68 0A 22 -11,-2.7 -11,-2.6 -2,-0.6 2,-0.5 -0.759 47.9-106.3-137.3-177.8 37.1 -110.6 11.3 80 80 A A E -E 67 0A 29 -13,-0.3 -13,-0.3 -2,-0.2 3,-0.1 -0.978 16.2-152.6-117.1 118.6 36.0 -110.6 14.9 81 81 A A E S- 0 0 62 -15,-3.0 2,-0.3 -2,-0.5 -1,-0.1 0.877 79.8 -28.3 -55.6 -37.2 32.2 -111.0 15.4 82 82 A W E -E 66 0A 38 -16,-0.7 -16,-2.3 -3,-0.1 2,-0.4 -0.966 63.4-126.0-168.4 168.3 32.8 -109.1 18.7 83 83 A R E -E 65 0A 38 -2,-0.3 2,-0.4 -18,-0.2 -20,-0.0 -0.975 7.5-144.1-132.0 144.3 35.5 -108.4 21.3 84 84 A S E -E 64 0A 2 -20,-3.0 -20,-2.3 -2,-0.4 2,-0.5 -0.851 22.8-150.7-102.3 140.2 35.5 -108.7 25.1 85 85 A Y E -EF 63 221A 106 136,-2.0 136,-3.0 -2,-0.4 2,-0.5 -0.954 14.4-170.7-122.5 127.7 37.6 -106.1 26.9 86 86 A L E +EF 62 220A 7 -24,-2.8 -24,-2.2 -2,-0.5 2,-0.4 -0.956 12.3 176.9-111.5 126.6 39.4 -106.3 30.2 87 87 A A E +EF 61 219A 40 132,-2.2 132,-2.0 -2,-0.5 2,-0.4 -0.963 1.8 176.4-133.4 116.8 40.7 -103.0 31.6 88 88 A M E -EF 60 218A 5 -28,-2.8 -28,-2.5 -2,-0.4 2,-0.4 -0.970 15.2-164.1-128.0 139.5 42.5 -102.7 34.9 89 89 A K E -EF 59 217A 92 128,-2.2 128,-2.4 -2,-0.4 2,-0.5 -0.961 10.1-168.7-115.3 131.4 44.1 -99.8 36.7 90 90 A L E -EF 58 216A 3 -32,-2.2 -32,-2.6 -2,-0.4 2,-0.6 -0.973 2.3-165.1-127.2 118.5 46.4 -100.6 39.6 91 91 A T E +EF 57 215A 30 124,-2.9 124,-1.9 -2,-0.5 -34,-0.2 -0.906 9.3 179.7-109.0 119.7 47.7 -97.8 42.0 92 92 A I E -E 56 0A 1 -36,-2.5 -36,-1.8 -2,-0.6 122,-0.1 -0.954 27.8-121.9-120.6 128.7 50.6 -98.6 44.3 93 93 A P E > -E 55 0A 1 0, 0.0 3,-2.0 0, 0.0 -38,-0.2 -0.370 23.5-122.2 -65.7 145.7 52.2 -96.2 46.8 94 94 A I T 3 S+ 0 0 72 -40,-1.7 -39,-0.1 1,-0.3 117,-0.1 0.680 109.5 68.7 -62.0 -15.6 55.9 -95.5 46.2 95 95 A F T 3 S+ 0 0 95 -41,-0.3 2,-0.4 116,-0.1 -1,-0.3 0.490 72.9 113.0 -82.2 -3.6 56.5 -96.7 49.8 96 96 A A < - 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