==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 29-AUG-95 1BMS . COMPND 2 MOLECULE: BACTERIOPHAGE MS2 CAPSID; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIO PHAGE MS2; . AUTHOR L.LILJAS,N.J.STONEHOUSE . 387 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25100.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 71.3 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 . 1 0.3 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 . 51 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.3 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 . 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 1 2 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 5 4 0 0 1 2 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 . 2 0 0 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 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 0 162 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 171.4 1.7 129.0 32.0 2 2 A S - 0 0 67 150,-0.1 260,-0.0 151,-0.0 151,-0.0 -0.444 360.0-153.0 161.7 122.5 3.0 126.0 30.1 3 3 A N S S+ 0 0 149 -2,-0.2 2,-2.2 1,-0.1 0, 0.0 0.467 70.0 103.6 -92.0 -4.2 6.3 124.7 31.2 4 4 A F + 0 0 19 257,-0.1 2,-0.3 17,-0.0 -1,-0.1 -0.493 57.8 136.3 -79.0 74.9 7.0 123.2 27.7 5 5 A T - 0 0 70 -2,-2.2 2,-0.1 16,-0.1 15,-0.1 -0.766 59.2 -96.5-123.4 166.9 9.4 126.0 26.7 6 6 A Q + 0 0 127 -2,-0.3 2,-0.3 15,-0.1 15,-0.2 -0.386 45.2 173.0 -75.1 154.5 12.7 126.5 25.1 7 7 A F E -A 20 0A 79 13,-2.1 13,-3.1 -2,-0.1 2,-0.7 -0.979 38.5 -97.0-158.4 161.5 15.8 126.8 27.3 8 8 A V E -A 19 0A 74 -2,-0.3 11,-0.3 11,-0.3 3,-0.2 -0.785 30.0-176.1 -91.4 117.6 19.5 127.0 27.1 9 9 A L E S+ 0 0 52 9,-2.0 2,-0.5 -2,-0.7 10,-0.2 0.872 77.3 32.1 -76.3 -41.4 21.1 123.6 27.6 10 10 A V E S-A 18 0A 46 8,-2.0 8,-2.1 2,-0.0 2,-1.0 -0.958 73.1-155.3-124.0 112.4 24.7 124.8 27.5 11 11 A D + 0 0 118 -2,-0.5 6,-0.1 6,-0.2 8,-0.0 -0.752 22.4 165.9 -91.1 98.1 25.5 128.3 28.7 12 12 A N > - 0 0 96 -2,-1.0 3,-0.7 0, 0.0 -1,-0.1 -0.080 69.8 -90.0 -97.4 29.5 28.7 129.4 26.9 13 13 A G T 3 S- 0 0 53 1,-0.2 2,-1.1 3,-0.1 -2,-0.1 0.961 77.6 -51.1 63.9 60.4 27.9 132.9 28.1 14 14 A G T 3 S+ 0 0 60 1,-0.1 2,-0.8 2,-0.0 3,-0.4 -0.062 123.1 86.5 75.1 -37.3 25.8 134.4 25.3 15 15 A T S < S- 0 0 121 -2,-1.1 -1,-0.1 -3,-0.7 -4,-0.0 -0.816 107.3 -3.8-104.6 101.3 28.2 133.4 22.5 16 16 A G S S+ 0 0 57 -2,-0.8 -1,-0.2 1,-0.2 2,-0.2 0.793 84.4 172.2 91.6 30.7 27.7 129.9 21.1 17 17 A D - 0 0 48 -3,-0.4 2,-0.9 -6,-0.1 -1,-0.2 -0.509 32.0-133.3 -71.6 139.4 24.9 129.0 23.6 18 18 A V E -A 10 0A 24 -8,-2.1 -8,-2.0 -2,-0.2 -9,-2.0 -0.885 29.3-174.5 -97.7 105.4 23.2 125.7 22.9 19 19 A T E -A 8 0A 58 -2,-0.9 16,-0.6 -11,-0.3 2,-0.4 -0.856 8.1-154.8-102.3 140.8 19.6 126.4 23.2 20 20 A V E -AB 7 34A 0 -13,-3.1 -13,-2.1 -2,-0.4 14,-0.2 -0.908 8.8-161.3-117.8 142.3 17.1 123.6 22.9 21 21 A A E - B 0 33A 31 12,-2.4 12,-2.4 -2,-0.4 -15,-0.1 -0.946 31.1 -87.1-130.5 152.2 13.4 123.9 21.8 22 22 A P E + B 0 32A 44 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.211 49.3 159.8 -51.0 132.9 10.2 121.9 22.1 23 23 A S E + 0 0 43 8,-3.2 2,-0.3 1,-0.4 9,-0.2 0.531 54.5 2.3-136.2 -12.0 9.9 119.5 19.2 24 24 A N E - B 0 31A 51 7,-1.2 7,-2.4 1,-0.1 -1,-0.4 -0.952 29.9-179.1-173.9 150.9 7.5 116.7 20.0 25 25 A F > + 0 0 44 -2,-0.3 3,-1.6 5,-0.2 132,-0.6 0.091 38.6 145.8-141.4 17.9 5.1 115.4 22.5 26 26 A A G > S+ 0 0 17 1,-0.3 3,-1.3 2,-0.2 260,-0.1 -0.338 73.1 8.0 -62.4 138.0 3.9 112.3 20.8 27 27 A N G 3 S- 0 0 96 258,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.681 128.3 -68.7 64.3 22.1 3.2 109.4 23.1 28 28 A G G < S+ 0 0 10 -3,-1.6 2,-0.6 1,-0.2 20,-0.4 0.737 101.8 125.7 72.2 21.5 3.5 111.5 26.2 29 29 A V < - 0 0 56 -3,-1.3 2,-0.3 18,-0.1 18,-0.2 -0.948 53.9-144.1-115.5 108.3 7.3 112.0 25.8 30 30 A A E - C 0 46A 10 16,-2.4 16,-1.8 -2,-0.6 2,-0.4 -0.580 23.3-169.2 -72.3 131.7 8.2 115.7 25.9 31 31 A E E -BC 24 45A 17 -7,-2.4 -8,-3.2 -2,-0.3 -7,-1.2 -0.972 16.1-176.4-128.7 144.6 11.1 116.3 23.5 32 32 A W E -BC 22 44A 33 12,-2.6 12,-2.5 -2,-0.4 2,-0.3 -0.986 8.9-174.1-133.8 140.6 13.4 119.3 22.8 33 33 A I E -BC 21 43A 25 -12,-2.4 -12,-2.4 -2,-0.4 10,-0.2 -0.960 25.8-112.7-136.2 153.1 16.0 119.5 20.1 34 34 A S E -B 20 0A 5 8,-1.7 2,-2.2 -2,-0.3 -14,-0.2 -0.360 48.1 -90.2 -76.0 166.7 18.7 122.0 19.2 35 35 A S S S+ 0 0 92 -16,-0.6 2,-0.3 -2,-0.1 -1,-0.1 -0.469 92.5 97.9 -79.7 72.4 18.4 123.9 16.0 36 36 A N S S- 0 0 55 -2,-2.2 5,-0.1 6,-0.1 320,-0.1 -0.841 84.8 -67.8-143.9 178.9 20.3 121.3 13.8 37 37 A S >> - 0 0 1 -2,-0.3 3,-1.7 1,-0.1 4,-0.6 -0.395 54.0-108.5 -69.6 154.8 19.7 118.5 11.5 38 38 A R T 34 S+ 0 0 58 318,-0.7 3,-0.3 1,-0.3 317,-0.2 0.740 120.2 59.8 -58.1 -20.2 18.2 115.5 13.3 39 39 A S T 34 S+ 0 0 11 315,-1.9 -1,-0.3 1,-0.2 316,-0.1 0.718 114.9 30.8 -81.9 -22.0 21.6 113.8 12.7 40 40 A Q T <4 S+ 0 0 29 -3,-1.7 -2,-0.2 314,-0.3 2,-0.2 0.187 93.0 124.9-120.6 17.7 23.6 116.4 14.6 41 41 A A < - 0 0 3 -4,-0.6 2,-0.3 -3,-0.3 -6,-0.1 -0.501 59.1-127.7 -89.9 147.5 21.1 117.7 17.3 42 42 A Y - 0 0 47 -2,-0.2 -8,-1.7 22,-0.1 2,-0.4 -0.640 36.9-159.8 -75.6 149.1 21.3 117.8 21.0 43 43 A K E -CD 33 63A 66 20,-1.4 20,-2.0 -2,-0.3 2,-0.4 -0.996 19.6-178.2-143.6 134.7 18.2 116.1 22.3 44 44 A V E +CD 32 62A 11 -12,-2.5 -12,-2.6 -2,-0.4 2,-0.3 -0.994 7.9 177.5-129.4 133.5 16.4 116.2 25.7 45 45 A T E -CD 31 61A 23 16,-2.2 16,-2.3 -2,-0.4 2,-0.3 -0.964 3.0-177.1-133.8 153.4 13.3 114.1 26.5 46 46 A C E +CD 30 60A 35 -16,-1.8 -16,-2.4 -2,-0.3 2,-0.3 -0.982 4.2 172.0-150.5 141.8 11.2 113.8 29.7 47 47 A S E - D 0 59A 31 12,-1.4 12,-2.8 -2,-0.3 2,-0.4 -0.987 14.8-153.7-149.9 149.8 8.3 111.7 30.8 48 48 A V E + D 0 58A 44 -20,-0.4 2,-0.3 -2,-0.3 10,-0.2 -0.976 18.0 167.8-125.2 139.3 6.4 111.0 34.0 49 49 A R E - D 0 57A 131 8,-1.5 8,-2.7 -2,-0.4 2,-1.4 -0.989 44.8-109.8-148.8 151.4 4.4 107.9 34.9 50 50 A Q - 0 0 98 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.714 38.7-175.3 -83.3 92.1 2.9 106.5 38.0 51 51 A S + 0 0 50 -2,-1.4 2,-0.2 4,-0.1 -1,-0.2 0.792 63.1 1.2 -61.3 -36.8 5.4 103.6 38.4 52 52 A S S S- 0 0 54 3,-1.1 3,-0.1 -3,-0.1 5,-0.1 -0.783 91.4 -84.4-139.0-175.3 3.7 102.0 41.4 53 53 A A S S+ 0 0 86 -2,-0.2 -2,-0.0 1,-0.2 -3,-0.0 0.806 128.8 25.3 -66.9 -24.2 0.6 102.7 43.5 54 54 A Q S S+ 0 0 59 39,-0.0 40,-2.6 40,-0.0 41,-0.3 0.392 112.5 68.5-122.8 5.2 2.7 105.1 45.6 55 55 A N E - E 0 93A 53 38,-0.3 -3,-1.1 -3,-0.1 2,-0.4 -0.845 53.3-156.5-124.9 160.1 5.5 106.4 43.4 56 56 A R E - E 0 92A 28 36,-1.6 36,-2.7 -2,-0.3 2,-0.5 -0.966 16.4-153.9-129.7 145.1 5.9 108.6 40.4 57 57 A K E -DE 49 91A 33 -8,-2.7 -8,-1.5 -2,-0.4 2,-0.5 -0.977 7.3-158.5-132.6 124.8 8.9 108.4 38.1 58 58 A Y E -DE 48 90A 65 32,-2.8 32,-2.6 -2,-0.5 2,-0.6 -0.849 7.5-163.0 -97.2 133.3 10.5 110.9 35.9 59 59 A T E +DE 47 89A 17 -12,-2.8 -12,-1.4 -2,-0.5 2,-0.4 -0.974 14.1 178.8-118.8 113.0 12.6 109.6 33.1 60 60 A I E -DE 46 88A 40 28,-2.7 28,-2.9 -2,-0.6 2,-0.3 -0.947 3.4-177.4-118.4 136.7 14.9 112.3 31.7 61 61 A K E -DE 45 87A 91 -16,-2.3 -16,-2.2 -2,-0.4 2,-0.3 -0.992 6.3-172.5-136.6 143.1 17.4 111.8 28.9 62 62 A V E -DE 44 86A 21 24,-1.8 24,-2.5 -2,-0.3 2,-0.5 -0.983 7.2-159.9-134.0 142.4 20.0 114.0 27.2 63 63 A E E -DE 43 85A 43 -20,-2.0 -20,-1.4 -2,-0.3 22,-0.2 -0.991 3.4-168.2-125.1 119.6 22.2 113.4 24.1 64 64 A V E - E 0 84A 57 20,-2.3 20,-2.8 -2,-0.5 2,-0.2 -0.950 17.0-158.1-108.7 112.9 25.3 115.5 23.6 65 65 A P E - E 0 83A 10 0, 0.0 2,-0.6 0, 0.0 18,-0.2 -0.526 18.2-140.3 -91.7 159.6 26.7 115.0 20.1 66 66 A K E - E 0 82A 115 16,-2.2 15,-2.9 -2,-0.2 16,-0.8 -0.963 32.4-140.4-116.0 103.2 30.1 115.6 18.7 67 67 A V E + E 0 80A 82 -2,-0.6 2,-0.3 13,-0.3 13,-0.2 -0.438 31.0 159.5 -71.4 141.4 29.5 117.1 15.2 68 68 A A E - E 0 79A 36 11,-2.6 11,-2.9 -2,-0.2 2,-0.6 -0.959 39.9-120.7-153.2 166.3 31.6 116.1 12.2 69 69 A T E - E 0 78A 95 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.918 32.4-168.2-116.7 101.5 31.5 116.0 8.4 70 70 A Q E - E 0 77A 114 7,-1.7 7,-3.3 -2,-0.6 2,-0.8 -0.724 18.1-136.5 -94.6 141.9 31.9 112.5 7.1 71 71 A T E + E 0 76A 86 -2,-0.3 2,-0.5 5,-0.2 5,-0.3 -0.857 28.5 178.0 -97.6 103.5 32.6 111.7 3.5 72 72 A V E > - E 0 75A 72 3,-2.7 3,-2.4 -2,-0.8 -2,-0.0 -0.936 69.5 -13.3-110.2 126.1 30.3 108.8 2.5 73 73 A G T 3 S- 0 0 81 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.811 128.6 -55.4 55.8 31.9 30.4 107.6 -1.1 74 74 A G T 3 S+ 0 0 70 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.328 119.5 107.3 85.3 -8.2 32.3 110.7 -2.1 75 75 A V E < -E 72 0A 91 -3,-2.4 -3,-2.7 2,-0.0 2,-0.6 -0.831 69.8-126.0-106.4 141.3 29.6 112.9 -0.7 76 76 A E E -E 71 0A 139 -2,-0.4 2,-0.4 -5,-0.3 -5,-0.2 -0.770 27.9-170.2 -90.0 121.1 30.0 115.0 2.5 77 77 A L E -E 70 0A 46 -7,-3.3 -7,-1.7 -2,-0.6 2,-0.7 -0.893 26.8-122.7-113.4 138.5 27.3 114.4 5.1 78 78 A N E +E 69 0A 37 -2,-0.4 -9,-0.2 -9,-0.2 2,-0.2 -0.694 56.7 149.4 -76.3 116.9 26.6 116.4 8.2 79 79 A V E -E 68 0A 31 -11,-2.9 -11,-2.6 -2,-0.7 2,-0.5 -0.682 48.6-100.1-140.7-174.2 26.9 113.8 10.9 80 80 A A E -E 67 0A 27 -13,-0.2 -13,-0.3 -2,-0.2 3,-0.1 -0.982 12.7-158.6-120.8 123.8 27.8 113.0 14.5 81 81 A A E S- 0 0 60 -15,-2.9 2,-0.3 -2,-0.5 -14,-0.1 0.846 78.0 -28.8 -63.9 -38.2 31.2 111.4 15.3 82 82 A W E -E 66 0A 154 -16,-0.8 -16,-2.2 2,-0.0 2,-0.4 -0.961 59.0-131.8-168.3 168.4 29.7 110.1 18.6 83 83 A R E -E 65 0A 50 -2,-0.3 2,-0.4 -18,-0.2 -20,-0.0 -0.992 9.0-143.2-136.0 143.0 27.2 110.9 21.3 84 84 A S E -E 64 0A 67 -20,-2.8 -20,-2.3 -2,-0.4 2,-0.5 -0.855 22.9-148.7-102.3 139.3 27.3 111.1 25.0 85 85 A Y E -E 63 0A 152 -2,-0.4 2,-0.5 -22,-0.2 -22,-0.2 -0.952 12.8-168.3-120.5 126.9 24.2 109.8 26.8 86 86 A L E -E 62 0A 83 -24,-2.5 -24,-1.8 -2,-0.5 2,-0.4 -0.911 9.7-176.3-107.4 134.2 22.8 111.0 30.1 87 87 A N E +E 61 0A 93 -2,-0.5 2,-0.4 -26,-0.2 -26,-0.2 -0.976 4.2 175.3-134.3 115.6 20.0 108.8 31.6 88 88 A M E -E 60 0A 66 -28,-2.9 -28,-2.7 -2,-0.4 2,-0.5 -0.982 12.6-172.3-128.6 137.1 18.2 109.8 34.8 89 89 A E E -E 59 0A 116 -2,-0.4 2,-0.5 -30,-0.2 -30,-0.2 -0.997 7.9-168.7-123.0 124.6 15.3 108.2 36.6 90 90 A L E -E 58 0A 44 -32,-2.6 -32,-2.8 -2,-0.5 2,-0.6 -0.976 2.7-164.4-117.8 121.6 13.8 110.0 39.5 91 91 A T E -E 57 0A 74 -2,-0.5 -34,-0.2 -34,-0.2 -2,-0.0 -0.940 10.3-179.6-109.3 118.0 11.3 108.2 41.8 92 92 A I E -E 56 0A 8 -36,-2.7 -36,-1.6 -2,-0.6 -2,-0.0 -0.959 26.3-123.6-119.9 126.6 9.3 110.5 44.1 93 93 A P E > -E 55 0A 62 0, 0.0 3,-1.7 0, 0.0 -38,-0.3 -0.309 22.5-120.5 -64.6 152.5 6.7 109.2 46.5 94 94 A I T 3 S+ 0 0 11 -40,-2.6 75,-2.1 1,-0.3 74,-0.4 0.626 110.4 68.2 -67.8 -14.0 3.2 110.6 46.2 95 95 A F T 3 S+ 0 0 18 -41,-0.3 2,-0.4 73,-0.2 -1,-0.3 0.499 73.4 116.9 -82.0 -5.7 3.4 111.8 49.8 96 96 A A < - 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