==== 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 15-MAY-98 5MSF . COMPND 2 MOLECULE: MS2 PROTEIN CAPSID; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIO PHAGE MS2; . AUTHOR S.ROWSELL,N.J.STONEHOUSE,M.A.CONVERY,C.J.ADAMS, . 387 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24983.0 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 . 125 32.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 . 54 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 8.5 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 . 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 0 3 0 0 0 0 0 0 3 0 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 3 0 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 0 158 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-173.3 -93.6 55.7 75.6 2 2 A S - 0 0 64 150,-0.0 151,-0.0 151,-0.0 260,-0.0 -0.476 360.0-151.2 167.1 120.3 -90.9 55.8 72.9 3 3 A N S S+ 0 0 146 -2,-0.2 2,-2.0 1,-0.1 0, 0.0 0.442 71.3 102.2 -88.7 1.1 -87.9 57.9 73.3 4 4 A F + 0 0 24 257,-0.1 2,-0.3 17,-0.0 -1,-0.1 -0.524 56.9 130.4 -84.6 73.9 -87.4 58.4 69.6 5 5 A T - 0 0 66 -2,-2.0 2,-0.1 16,-0.1 15,-0.1 -0.762 62.2 -94.1-122.2 167.4 -88.9 61.9 69.5 6 6 A Q + 0 0 122 -2,-0.3 2,-0.3 15,-0.1 15,-0.2 -0.431 45.9 177.1 -78.8 157.4 -87.9 65.3 68.2 7 7 A F E -A 20 0A 79 13,-2.2 13,-2.4 -2,-0.1 2,-0.8 -0.980 37.0 -92.4-156.5 164.3 -86.0 67.7 70.4 8 8 A V E +A 19 0A 70 -2,-0.3 11,-0.2 11,-0.2 3,-0.2 -0.755 34.0 176.9 -86.7 112.8 -84.4 71.1 70.5 9 9 A L E S+ 0 0 53 9,-1.8 2,-0.6 -2,-0.8 -1,-0.2 0.881 76.6 32.7 -80.3 -42.9 -80.7 70.8 69.8 10 10 A V E S-A 18 0A 44 8,-1.8 8,-2.1 2,-0.0 2,-0.8 -0.925 75.1-156.1-121.7 105.8 -79.9 74.5 69.9 11 11 A D + 0 0 122 -2,-0.6 6,-0.1 -3,-0.2 8,-0.0 -0.716 22.0 165.5 -83.8 111.4 -81.9 76.5 72.3 12 12 A N S > S- 0 0 97 -2,-0.8 3,-0.8 0, 0.0 -1,-0.1 -0.117 70.3 -83.1-115.8 33.6 -81.9 80.1 71.2 13 13 A G T 3 S- 0 0 64 1,-0.2 -2,-0.1 3,-0.1 3,-0.0 0.857 80.4 -60.3 71.3 38.7 -84.8 81.3 73.4 14 14 A G T 3 S+ 0 0 59 1,-0.1 2,-0.7 2,-0.0 3,-0.3 0.165 125.2 90.2 78.0 -21.7 -87.7 80.2 71.2 15 15 A T S < S+ 0 0 123 -3,-0.8 -1,-0.1 1,-0.2 -4,-0.0 -0.879 102.2 2.7-113.8 102.1 -86.5 82.4 68.4 16 16 A G S S+ 0 0 54 -2,-0.7 -1,-0.2 1,-0.2 2,-0.2 0.675 88.4 169.1 97.3 22.9 -84.1 80.8 66.0 17 17 A D - 0 0 55 -3,-0.3 2,-0.7 -5,-0.1 -1,-0.2 -0.470 30.3-138.2 -70.4 135.0 -84.3 77.4 67.8 18 18 A V E -A 10 0A 22 -8,-2.1 -9,-1.8 -2,-0.2 -8,-1.8 -0.871 24.5-174.3 -99.1 117.6 -82.7 74.5 66.0 19 19 A T E -A 8 0A 52 -2,-0.7 16,-0.7 -11,-0.2 2,-0.4 -0.919 8.3-162.6-113.9 136.0 -85.0 71.4 66.2 20 20 A V E -AB 7 34A 0 -13,-2.4 -13,-2.2 -2,-0.4 14,-0.2 -0.909 8.9-164.4-115.9 145.5 -84.1 68.0 65.0 21 21 A A E - B 0 33A 31 12,-2.2 12,-1.8 -2,-0.4 -15,-0.1 -0.924 35.6 -80.2-130.0 155.1 -86.6 65.2 64.4 22 22 A P E + B 0 32A 39 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.261 52.6 159.7 -52.0 131.8 -86.5 61.4 63.9 23 23 A S E + 0 0 42 8,-3.0 2,-0.3 1,-0.4 9,-0.2 0.511 56.7 3.3-132.2 -16.7 -85.5 60.8 60.3 24 24 A N E + B 0 31A 45 7,-1.3 7,-2.9 1,-0.1 -1,-0.4 -0.955 30.8 178.5-171.2 150.4 -84.2 57.2 60.2 25 25 A F > + 0 0 47 -2,-0.3 3,-1.4 5,-0.2 132,-0.5 0.131 39.0 145.7-139.2 13.3 -83.6 54.0 62.1 26 26 A A G > S+ 0 0 14 1,-0.3 3,-1.1 2,-0.2 260,-0.1 -0.314 72.4 7.2 -59.8 134.1 -82.2 51.9 59.4 27 27 A N G 3 S- 0 0 93 258,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.749 128.3 -66.7 65.2 28.5 -79.5 49.5 60.5 28 28 A G G < S+ 0 0 11 -3,-1.4 2,-0.7 1,-0.2 20,-0.4 0.625 104.2 122.6 72.1 10.9 -79.9 50.2 64.2 29 29 A V < - 0 0 58 -3,-1.1 2,-0.3 -4,-0.1 18,-0.2 -0.920 53.9-147.3-110.1 110.4 -78.6 53.8 63.9 30 30 A A E - C 0 46A 10 16,-2.5 16,-2.1 -2,-0.7 2,-0.4 -0.598 20.7-167.6 -75.8 131.8 -81.2 56.3 65.1 31 31 A E E -BC 24 45A 16 -7,-2.9 -8,-3.0 -2,-0.3 -7,-1.3 -0.959 15.5-175.9-127.8 143.9 -81.0 59.5 63.2 32 32 A W E -BC 22 44A 29 12,-2.5 12,-2.3 -2,-0.4 2,-0.3 -0.958 9.0-176.9-130.3 146.6 -82.5 63.0 63.7 33 33 A I E -BC 21 43A 28 -12,-1.8 -12,-2.2 -2,-0.3 10,-0.2 -0.987 27.3-109.9-144.7 153.8 -82.1 66.0 61.2 34 34 A S E -B 20 0A 4 8,-1.4 2,-3.1 -2,-0.3 -14,-0.2 -0.408 48.3 -90.7 -78.0 159.0 -83.2 69.6 61.2 35 35 A S S S+ 0 0 92 -16,-0.7 2,-0.2 -2,-0.1 323,-0.1 -0.336 92.4 105.0 -69.4 64.6 -85.9 70.8 58.9 36 36 A N S S- 0 0 56 -2,-3.1 5,-0.1 6,-0.1 2,-0.1 -0.749 83.3 -71.9-133.7-179.8 -83.5 71.6 56.1 37 37 A S >> - 0 0 1 -2,-0.2 3,-1.9 1,-0.1 4,-0.7 -0.478 54.7-110.4 -71.0 149.1 -82.2 70.3 52.8 38 38 A R T 34 S+ 0 0 56 318,-0.8 3,-0.3 1,-0.3 317,-0.2 0.777 118.6 57.4 -55.6 -24.6 -80.1 67.3 53.5 39 39 A S T 34 S+ 0 0 15 315,-2.0 -1,-0.3 1,-0.2 316,-0.1 0.673 115.0 34.1 -81.8 -16.8 -77.0 69.3 52.5 40 40 A Q T <4 S+ 0 0 30 -3,-1.9 -1,-0.2 314,-0.3 -2,-0.2 0.243 93.9 123.3-119.9 11.5 -77.6 72.0 55.1 41 41 A A < - 0 0 4 -4,-0.7 2,-0.3 -3,-0.3 -6,-0.1 -0.402 61.8-125.0 -83.9 151.7 -79.0 69.9 57.9 42 42 A Y - 0 0 49 -23,-0.1 -8,-1.4 -2,-0.1 2,-0.4 -0.663 36.5-155.5 -81.1 145.5 -77.9 69.5 61.5 43 43 A K E -CD 33 63A 70 20,-1.7 20,-2.5 -2,-0.3 2,-0.4 -0.990 19.6-179.9-134.8 135.9 -77.5 65.8 62.0 44 44 A V E +CD 32 62A 9 -12,-2.3 -12,-2.5 -2,-0.4 2,-0.3 -0.996 7.7 178.0-133.4 127.8 -77.6 63.6 65.2 45 45 A T E -CD 31 61A 22 16,-2.5 16,-2.5 -2,-0.4 2,-0.3 -0.942 2.7-178.4-128.9 153.3 -77.1 59.9 65.3 46 46 A C E +CD 30 60A 34 -16,-2.1 -16,-2.5 -2,-0.3 2,-0.3 -0.991 6.2 165.9-152.6 141.0 -77.1 57.4 68.1 47 47 A S E - D 0 59A 32 12,-1.4 12,-3.3 -2,-0.3 2,-0.4 -0.982 15.0-158.0-152.9 149.9 -76.5 53.7 68.4 48 48 A V E + D 0 58A 38 -20,-0.4 2,-0.3 -2,-0.3 10,-0.2 -0.998 15.2 172.5-134.5 136.8 -75.8 51.3 71.2 49 49 A R E - D 0 57A 120 8,-2.0 8,-3.3 -2,-0.4 2,-1.5 -0.954 43.4-108.1-140.3 157.9 -74.2 47.9 71.0 50 50 A Q - 0 0 92 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.693 41.5-178.7 -88.3 85.4 -73.0 45.3 73.5 51 51 A S + 0 0 51 -2,-1.5 -1,-0.2 3,-0.1 2,-0.2 0.913 62.6 8.1 -50.3 -59.7 -69.2 45.9 72.8 52 52 A S S S- 0 0 56 3,-0.5 5,-0.1 -3,-0.2 3,-0.0 -0.428 92.1 -91.1-111.8-169.7 -67.8 43.3 75.1 53 53 A A S S+ 0 0 82 1,-0.2 -2,-0.0 -2,-0.2 -1,-0.0 0.791 128.3 27.0 -74.8 -25.5 -69.4 40.5 77.1 54 54 A Q S S+ 0 0 80 39,-0.0 40,-2.2 40,-0.0 41,-0.3 0.260 113.2 70.9-121.4 12.4 -69.6 43.0 80.0 55 55 A N E - E 0 93A 51 38,-0.2 -3,-0.5 39,-0.1 2,-0.4 -0.897 54.2-157.4-129.2 157.9 -69.8 46.4 78.4 56 56 A R E - E 0 92A 26 36,-1.7 36,-2.6 -2,-0.3 2,-0.5 -0.982 15.3-152.4-131.0 141.2 -72.3 48.3 76.4 57 57 A K E -DE 49 91A 33 -8,-3.3 -8,-2.0 -2,-0.4 2,-0.5 -0.966 5.9-159.9-126.0 124.9 -71.2 51.2 74.1 58 58 A Y E -DE 48 90A 69 32,-2.9 32,-2.6 -2,-0.5 2,-0.6 -0.837 8.1-163.7 -97.4 133.1 -73.2 54.2 73.1 59 59 A T E -DE 47 89A 38 -12,-3.3 -12,-1.4 -2,-0.5 2,-0.4 -0.956 12.1-180.0-121.4 111.7 -72.0 55.9 69.9 60 60 A I E -DE 46 88A 45 28,-2.6 28,-2.8 -2,-0.6 2,-0.4 -0.892 4.3-174.5-114.3 142.6 -73.3 59.4 69.5 61 61 A K E -DE 45 87A 75 -16,-2.5 -16,-2.5 -2,-0.4 2,-0.4 -0.999 5.1-174.4-139.5 137.6 -72.6 61.8 66.6 62 62 A V E -DE 44 86A 21 24,-2.3 24,-3.1 -2,-0.4 2,-0.5 -0.996 6.3-163.1-132.5 138.3 -73.6 65.4 66.0 63 63 A E E -DE 43 85A 29 -20,-2.5 -20,-1.7 -2,-0.4 22,-0.2 -0.983 3.5-167.7-123.8 119.0 -72.9 67.5 62.9 64 64 A V E - E 0 84A 56 20,-2.5 20,-2.8 -2,-0.5 2,-0.2 -0.927 14.2-154.5-109.1 115.5 -73.2 71.3 63.0 65 65 A P E - E 0 83A 9 0, 0.0 2,-0.8 0, 0.0 18,-0.2 -0.586 17.9-142.9 -92.1 152.4 -73.2 73.0 59.7 66 66 A K E - E 0 82A 114 16,-2.5 15,-3.0 -2,-0.2 16,-0.6 -0.912 36.2-140.4-107.3 95.7 -72.2 76.5 58.7 67 67 A V E + E 0 80A 82 -2,-0.8 2,-0.3 13,-0.3 13,-0.2 -0.292 32.5 158.4 -64.0 142.8 -74.9 77.1 56.0 68 68 A A E - E 0 79A 35 11,-2.4 11,-2.6 9,-0.0 2,-0.6 -0.966 40.1-119.1-156.0 165.7 -74.0 79.0 52.8 69 69 A T E - E 0 78A 93 -2,-0.3 2,-0.3 9,-0.2 11,-0.0 -0.919 31.4-165.7-118.2 105.9 -75.2 79.5 49.3 70 70 A Q E - E 0 77A 113 7,-1.8 7,-3.2 -2,-0.6 2,-0.8 -0.701 15.7-139.3 -94.7 142.0 -72.7 78.4 46.7 71 71 A T E + E 0 76A 86 -2,-0.3 2,-0.5 5,-0.2 5,-0.3 -0.855 26.7 176.5-102.2 101.0 -72.9 79.3 43.0 72 72 A V E > S- E 0 75A 72 3,-2.5 3,-1.1 -2,-0.8 -2,-0.0 -0.927 71.6 -8.9-109.5 119.1 -71.9 76.2 41.0 73 73 A G T 3 S- 0 0 81 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.823 130.3 -56.4 66.7 30.5 -72.1 76.5 37.2 74 74 A G T 3 S+ 0 0 73 1,-0.2 2,-0.4 -3,-0.2 -1,-0.2 0.528 118.5 111.9 78.4 5.5 -73.8 79.8 37.5 75 75 A V E < -E 72 0A 86 -3,-1.1 -3,-2.5 2,-0.0 2,-0.5 -0.926 66.7-126.9-116.1 136.8 -76.5 78.2 39.6 76 76 A E E +E 71 0A 142 -2,-0.4 -5,-0.2 -5,-0.3 -7,-0.0 -0.700 30.3 179.2 -86.9 124.4 -77.2 78.8 43.3 77 77 A L E -E 70 0A 46 -7,-3.2 -7,-1.8 -2,-0.5 2,-0.6 -0.937 33.0-114.9-125.0 144.8 -77.3 75.8 45.6 78 78 A P E +E 69 0A 30 0, 0.0 2,-0.2 0, 0.0 -9,-0.2 -0.679 54.1 151.2 -79.7 118.7 -77.9 75.4 49.3 79 79 A V E -E 68 0A 24 -11,-2.6 -11,-2.4 -2,-0.6 2,-0.5 -0.695 47.5-104.6-134.2-174.9 -74.7 74.0 50.8 80 80 A A E -E 67 0A 29 -13,-0.2 -13,-0.3 -2,-0.2 3,-0.1 -0.984 14.6-151.8-120.8 120.1 -72.6 73.9 54.0 81 81 A A E S- 0 0 62 -15,-3.0 2,-0.3 -2,-0.5 -1,-0.1 0.905 79.9 -32.5 -55.0 -41.1 -69.5 76.1 54.0 82 82 A W E -E 66 0A 148 -16,-0.6 -16,-2.5 -3,-0.1 2,-0.3 -0.958 62.8-126.3-166.9 172.3 -68.1 73.5 56.5 83 83 A R E -E 65 0A 45 -2,-0.3 2,-0.5 -18,-0.2 -20,-0.0 -0.966 7.6-140.3-134.0 148.2 -69.2 71.3 59.3 84 84 A S E -E 64 0A 66 -20,-2.8 -20,-2.5 -2,-0.3 2,-0.5 -0.908 24.4-151.0-104.4 134.5 -68.2 70.8 62.9 85 85 A Y E -E 63 0A 136 -2,-0.5 2,-0.6 -22,-0.2 -22,-0.2 -0.933 12.2-168.8-116.3 124.1 -68.2 67.1 63.9 86 86 A L E +E 62 0A 83 -24,-3.1 -24,-2.3 -2,-0.5 2,-0.5 -0.941 9.7 180.0-107.1 122.3 -68.8 65.8 67.4 87 87 A N E +E 61 0A 106 -2,-0.6 2,-0.4 -26,-0.2 -26,-0.2 -0.957 6.7 173.1-124.8 112.2 -68.0 62.1 67.9 88 88 A M E -E 60 0A 68 -28,-2.8 -28,-2.6 -2,-0.5 2,-0.4 -0.952 15.1-168.1-126.6 142.7 -68.6 60.6 71.3 89 89 A E E -E 59 0A 131 -2,-0.4 2,-0.5 -30,-0.2 -30,-0.2 -0.992 4.6-167.5-126.0 131.1 -68.4 57.1 72.7 90 90 A L E -E 58 0A 44 -32,-2.6 -32,-2.9 -2,-0.4 2,-0.6 -0.966 2.4-164.3-124.4 116.6 -69.6 56.0 76.0 91 91 A T E -E 57 0A 74 -2,-0.5 -34,-0.2 -34,-0.2 -2,-0.0 -0.893 10.7-179.1-105.0 118.0 -68.8 52.6 77.5 92 92 A I E -E 56 0A 11 -36,-2.6 -36,-1.7 -2,-0.6 -2,-0.0 -0.949 26.8-122.3-119.6 129.8 -70.9 51.5 80.5 93 93 A P E > -E 55 0A 63 0, 0.0 3,-1.8 0, 0.0 -38,-0.2 -0.366 23.1-122.6 -66.6 148.5 -70.4 48.2 82.4 94 94 A I T 3 S+ 0 0 12 -40,-2.2 75,-2.4 1,-0.3 76,-0.3 0.637 109.1 68.4 -66.6 -13.5 -73.5 46.0 82.5 95 95 A F T 3 S+ 0 0 21 -41,-0.3 2,-0.4 73,-0.2 -1,-0.3 0.489 72.9 113.4 -83.9 -4.0 -73.4 46.1 86.3 96 96 A A < - 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