==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 30-AUG-95 1MST . 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) . 25050.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 70.3 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 . 2 0.5 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 . 49 12.7 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 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 4 5 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 . 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 0 154 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.3 1.8 129.0 31.9 2 2 A S - 0 0 67 151,-0.0 260,-0.0 150,-0.0 151,-0.0 -0.551 360.0-151.6 175.3 121.6 2.9 125.9 29.9 3 3 A N S S+ 0 0 152 -2,-0.2 2,-2.2 1,-0.1 0, 0.0 0.491 70.4 103.2 -90.2 0.3 6.3 124.6 31.1 4 4 A F + 0 0 25 257,-0.2 2,-0.2 17,-0.0 -1,-0.1 -0.504 57.2 135.2 -81.6 74.4 7.1 123.1 27.7 5 5 A T - 0 0 70 -2,-2.2 2,-0.2 16,-0.1 15,-0.1 -0.757 59.7 -95.3-121.4 167.5 9.4 125.9 26.7 6 6 A Q + 0 0 127 -2,-0.2 2,-0.3 15,-0.1 15,-0.2 -0.494 44.5 176.1 -78.8 149.6 12.8 126.3 25.0 7 7 A F E -A 20 0A 81 13,-2.1 13,-3.0 -2,-0.2 2,-0.7 -0.971 37.5 -98.9-149.7 160.7 15.9 126.6 27.3 8 8 A V E -A 19 0A 73 -2,-0.3 11,-0.3 11,-0.3 3,-0.2 -0.784 30.8-175.9 -88.6 117.5 19.6 126.9 27.0 9 9 A L E S+ 0 0 53 9,-2.0 2,-0.5 -2,-0.7 10,-0.2 0.877 77.2 33.0 -76.3 -42.7 21.1 123.5 27.7 10 10 A V E S-A 18 0A 45 8,-2.0 8,-2.1 2,-0.0 2,-1.0 -0.962 73.0-156.6-121.5 113.4 24.7 124.6 27.5 11 11 A D + 0 0 119 -2,-0.5 6,-0.1 6,-0.2 8,-0.0 -0.784 20.3 167.9 -93.0 98.8 25.5 128.1 28.7 12 12 A N > - 0 0 99 -2,-1.0 3,-0.7 0, 0.0 -1,-0.1 -0.059 68.8 -87.4 -97.4 28.0 28.7 129.1 26.9 13 13 A G T 3 S- 0 0 56 1,-0.2 2,-0.7 3,-0.1 -2,-0.1 0.932 79.0 -53.7 69.1 51.3 28.3 132.7 28.0 14 14 A G T 3 S+ 0 0 60 1,-0.1 2,-0.8 2,-0.0 3,-0.4 -0.073 124.3 84.9 80.0 -36.6 26.1 134.2 25.2 15 15 A T S < S- 0 0 122 -2,-0.7 -1,-0.1 -3,-0.7 -4,-0.0 -0.830 106.7 -0.1-106.5 100.8 28.4 133.1 22.4 16 16 A G S S+ 0 0 56 -2,-0.8 -1,-0.2 1,-0.2 2,-0.2 0.720 84.1 169.4 97.4 24.0 27.9 129.5 21.2 17 17 A D - 0 0 49 -3,-0.4 2,-0.8 -6,-0.1 -1,-0.2 -0.481 32.6-134.9 -67.9 137.0 25.1 128.7 23.6 18 18 A V E -A 10 0A 23 -8,-2.1 -9,-2.0 -2,-0.2 -8,-2.0 -0.884 27.5-173.3 -97.1 110.5 23.3 125.5 22.9 19 19 A T E -A 8 0A 59 -2,-0.8 16,-0.6 -11,-0.3 2,-0.4 -0.902 7.3-155.4-107.2 140.8 19.6 126.2 23.1 20 20 A V E -AB 7 34A 0 -13,-3.0 -13,-2.1 -2,-0.4 14,-0.2 -0.891 8.6-160.7-117.7 139.9 17.1 123.4 22.9 21 21 A A E - B 0 33A 31 12,-2.6 12,-2.2 -2,-0.4 -15,-0.1 -0.936 30.9 -87.9-129.1 151.4 13.5 123.8 21.8 22 22 A P E + B 0 32A 39 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.218 49.9 159.3 -50.7 131.3 10.2 121.8 22.1 23 23 A S E + 0 0 41 8,-2.8 2,-0.3 1,-0.4 9,-0.2 0.501 54.0 1.8-136.2 -11.4 9.9 119.4 19.2 24 24 A N E - B 0 31A 52 7,-1.1 7,-2.6 1,-0.1 -1,-0.4 -0.946 29.8-178.4-174.1 153.0 7.5 116.7 20.0 25 25 A F > + 0 0 46 -2,-0.3 3,-1.6 5,-0.2 132,-0.6 0.119 38.9 145.6-141.9 14.3 5.0 115.3 22.6 26 26 A A G > S+ 0 0 14 1,-0.3 3,-1.4 2,-0.2 260,-0.1 -0.276 73.5 8.3 -58.9 138.6 3.9 112.2 20.8 27 27 A N G 3 S- 0 0 95 258,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.681 128.0 -69.6 62.7 23.1 3.2 109.3 23.1 28 28 A G G < S+ 0 0 10 -3,-1.6 2,-0.6 1,-0.2 20,-0.3 0.691 102.1 124.4 72.1 18.2 3.6 111.4 26.3 29 29 A V < - 0 0 59 -3,-1.4 2,-0.4 -4,-0.1 -1,-0.2 -0.946 54.5-144.9-113.1 109.9 7.3 111.9 25.9 30 30 A A E - C 0 46A 10 16,-2.4 16,-1.9 -2,-0.6 2,-0.4 -0.630 22.6-167.2 -74.7 130.5 8.2 115.6 25.8 31 31 A E E -BC 24 45A 16 -7,-2.6 -8,-2.8 -2,-0.4 -7,-1.1 -0.935 16.8-177.0-124.8 147.9 11.1 116.2 23.5 32 32 A W E -BC 22 44A 31 12,-2.3 12,-2.5 -2,-0.4 2,-0.3 -0.990 9.0-179.4-137.1 135.2 13.4 119.1 22.8 33 33 A I E -BC 21 43A 29 -12,-2.2 -12,-2.6 -2,-0.3 10,-0.2 -0.940 28.0-109.9-135.2 158.2 16.1 119.2 20.2 34 34 A S E -B 20 0A 5 8,-1.6 2,-2.4 -2,-0.3 -14,-0.2 -0.432 46.5 -89.3 -80.5 165.9 18.7 121.8 19.1 35 35 A S S S+ 0 0 91 -16,-0.6 2,-0.3 -2,-0.1 -1,-0.1 -0.436 92.5 99.2 -77.1 71.7 18.5 123.7 15.9 36 36 A N S S- 0 0 59 -2,-2.4 5,-0.1 6,-0.1 2,-0.1 -0.828 85.0 -68.7-142.2 179.4 20.4 121.2 13.8 37 37 A S >> - 0 0 1 -2,-0.3 3,-1.4 1,-0.1 4,-1.0 -0.421 53.5-109.6 -70.0 154.1 19.9 118.3 11.5 38 38 A R T 34 S+ 0 0 63 318,-0.7 3,-0.2 1,-0.3 317,-0.2 0.795 119.5 59.8 -57.7 -25.8 18.3 115.4 13.3 39 39 A S T 34 S+ 0 0 12 315,-2.1 -1,-0.3 1,-0.2 316,-0.1 0.770 115.1 30.7 -75.6 -25.6 21.7 113.6 12.8 40 40 A Q T <4 S+ 0 0 32 -3,-1.4 -1,-0.2 314,-0.3 -2,-0.2 0.314 93.3 125.3-114.9 8.5 23.7 116.3 14.7 41 41 A A < - 0 0 4 -4,-1.0 2,-0.3 -3,-0.2 -6,-0.1 -0.366 59.4-127.5 -80.1 146.2 21.1 117.5 17.3 42 42 A Y - 0 0 47 -23,-0.1 -8,-1.6 -2,-0.1 2,-0.4 -0.661 36.2-160.3 -77.3 145.6 21.3 117.7 21.0 43 43 A K E -CD 33 63A 71 20,-1.4 20,-2.2 -2,-0.3 2,-0.4 -0.991 18.6-176.9-138.3 137.5 18.2 115.9 22.4 44 44 A V E -CD 32 62A 11 -12,-2.5 -12,-2.3 -2,-0.4 2,-0.3 -0.998 7.8-178.5-131.7 133.3 16.4 116.1 25.7 45 45 A T E -CD 31 61A 23 16,-2.3 16,-2.4 -2,-0.4 2,-0.3 -0.969 2.0-177.5-131.9 151.4 13.4 113.9 26.6 46 46 A C E +CD 30 60A 35 -16,-1.9 -16,-2.4 -2,-0.3 2,-0.3 -0.988 5.7 167.4-151.1 133.5 11.2 113.8 29.7 47 47 A S E - D 0 59A 35 12,-1.6 12,-2.6 -2,-0.3 2,-0.4 -0.988 16.7-154.1-146.4 150.6 8.3 111.7 30.8 48 48 A V E + D 0 58A 41 -20,-0.3 2,-0.3 -2,-0.3 10,-0.2 -0.986 16.0 172.3-125.7 137.7 6.4 111.0 34.0 49 49 A R E - D 0 57A 141 8,-1.9 8,-3.0 -2,-0.4 2,-1.4 -0.975 41.6-116.1-142.1 149.0 4.5 107.9 34.9 50 50 A Q - 0 0 95 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.778 40.4-179.4 -84.9 91.7 2.8 106.7 38.1 51 51 A S + 0 0 48 -2,-1.4 2,-0.2 2,-0.0 -1,-0.2 0.919 63.0 12.8 -59.3 -56.0 5.1 103.6 38.4 52 52 A S S S- 0 0 55 3,-0.5 3,-0.1 -3,-0.2 5,-0.1 -0.525 92.3 -96.7-110.2-176.5 3.7 102.1 41.6 53 53 A A S S+ 0 0 82 -2,-0.2 -2,-0.0 1,-0.2 -1,-0.0 0.752 126.7 31.1 -75.0 -21.6 0.5 103.0 43.4 54 54 A Q S S+ 0 0 80 39,-0.0 40,-2.4 40,-0.0 41,-0.3 0.331 113.1 67.4-119.7 9.8 2.5 105.3 45.7 55 55 A N E - E 0 93A 52 38,-0.3 -3,-0.5 39,-0.1 2,-0.4 -0.884 54.7-157.7-128.8 159.4 5.4 106.5 43.5 56 56 A R E - E 0 92A 29 36,-1.8 36,-2.7 -2,-0.3 2,-0.5 -0.972 16.5-154.1-132.4 141.4 5.8 108.7 40.4 57 57 A K E -DE 49 91A 31 -8,-3.0 -8,-1.9 -2,-0.4 2,-0.4 -0.982 6.8-159.5-128.9 127.0 8.8 108.3 38.2 58 58 A Y E -DE 48 90A 65 32,-2.6 32,-2.6 -2,-0.5 2,-0.5 -0.864 6.6-163.6 -99.2 135.2 10.4 110.8 36.0 59 59 A T E -DE 47 89A 21 -12,-2.6 -12,-1.6 -2,-0.4 2,-0.4 -0.985 12.8-179.8-121.9 117.0 12.6 109.5 33.2 60 60 A I E -DE 46 88A 42 28,-2.9 28,-2.9 -2,-0.5 2,-0.4 -0.966 3.8-175.0-121.4 135.8 14.9 112.2 31.7 61 61 A K E -DE 45 87A 93 -16,-2.4 -16,-2.3 -2,-0.4 2,-0.4 -0.992 5.5-173.8-135.1 139.7 17.4 111.7 28.9 62 62 A V E -DE 44 86A 21 24,-1.8 24,-2.8 -2,-0.4 2,-0.5 -0.987 6.8-161.6-131.4 139.2 20.0 113.9 27.3 63 63 A E E -DE 43 85A 44 -20,-2.2 -20,-1.4 -2,-0.4 22,-0.2 -0.991 2.9-168.7-123.4 119.8 22.2 113.3 24.2 64 64 A V E - E 0 84A 58 20,-2.3 20,-2.7 -2,-0.5 2,-0.2 -0.951 16.2-156.0-110.2 112.7 25.3 115.3 23.7 65 65 A P E - E 0 83A 10 0, 0.0 2,-0.7 0, 0.0 18,-0.2 -0.537 17.6-140.5 -90.2 156.3 26.7 114.8 20.2 66 66 A K E - E 0 82A 114 16,-2.5 15,-2.9 -2,-0.2 16,-0.8 -0.952 35.3-140.0-111.8 102.1 30.3 115.3 18.9 67 67 A V E + E 0 80A 82 -2,-0.7 2,-0.3 13,-0.3 13,-0.2 -0.364 32.6 155.0 -70.4 146.6 29.6 116.8 15.4 68 68 A A E - E 0 79A 36 11,-2.2 11,-2.9 -2,-0.1 2,-0.5 -0.955 40.3-118.9-159.3 168.0 31.6 115.9 12.3 69 69 A T E - E 0 78A 101 -2,-0.3 2,-0.4 9,-0.2 7,-0.0 -0.984 32.8-162.8-119.0 119.4 31.2 115.8 8.5 70 70 A Q E - E 0 77A 106 7,-2.5 7,-2.9 -2,-0.5 2,-0.8 -0.905 16.3-136.0-112.4 138.5 31.6 112.3 7.1 71 71 A T E + E 0 76A 91 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.801 27.8 175.3 -92.1 108.0 32.3 111.3 3.5 72 72 A V E > S- E 0 75A 76 3,-2.8 3,-1.8 -2,-0.8 -2,-0.0 -0.967 73.0 -12.1-115.5 120.3 30.0 108.4 2.5 73 73 A G T 3 S- 0 0 80 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.834 130.0 -54.5 60.7 33.7 30.2 107.3 -1.1 74 74 A G T 3 S+ 0 0 71 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.460 118.2 110.6 80.1 2.6 32.2 110.3 -2.1 75 75 A V E < -E 72 0A 88 -3,-1.8 -3,-2.8 -5,-0.0 2,-0.6 -0.880 67.1-125.3-113.8 143.2 29.5 112.7 -0.6 76 76 A D E -E 71 0A 107 -2,-0.4 -5,-0.2 -5,-0.2 -7,-0.0 -0.755 29.6-176.8 -90.5 121.4 29.8 114.9 2.6 77 77 A L E -E 70 0A 43 -7,-2.9 -7,-2.5 -2,-0.6 2,-0.4 -0.908 31.9-117.0-122.0 138.7 27.0 114.3 5.2 78 78 A P E +E 69 0A 31 0, 0.0 2,-0.2 0, 0.0 -9,-0.2 -0.598 55.9 157.3 -70.3 125.0 26.4 116.2 8.5 79 79 A V E -E 68 0A 28 -11,-2.9 -11,-2.2 -2,-0.4 2,-0.5 -0.764 45.6-109.5-143.0 178.6 26.9 113.5 11.1 80 80 A A E -E 67 0A 27 -13,-0.2 -13,-0.3 -2,-0.2 3,-0.1 -0.984 13.4-157.6-120.0 118.9 27.7 112.7 14.7 81 81 A A E S- 0 0 59 -15,-2.9 2,-0.3 -2,-0.5 -14,-0.1 0.869 77.8 -29.5 -59.8 -39.2 31.1 111.1 15.4 82 82 A W E -E 66 0A 155 -16,-0.8 -16,-2.5 -3,-0.1 2,-0.3 -0.956 60.8-133.1-167.9 168.1 29.7 109.8 18.7 83 83 A R E -E 65 0A 47 -2,-0.3 2,-0.4 -18,-0.2 -20,-0.0 -0.974 8.8-141.3-134.9 146.9 27.1 110.7 21.3 84 84 A S E -E 64 0A 68 -20,-2.7 -20,-2.3 -2,-0.3 2,-0.5 -0.893 22.2-147.2-105.5 140.3 27.3 110.8 25.1 85 85 A Y E -E 63 0A 151 -2,-0.4 2,-0.5 -22,-0.2 -22,-0.2 -0.943 12.5-168.0-118.6 122.8 24.1 109.6 26.9 86 86 A L E -E 62 0A 82 -24,-2.8 -24,-1.8 -2,-0.5 2,-0.4 -0.903 12.1-177.2-102.2 134.9 22.7 110.9 30.2 87 87 A N E +E 61 0A 93 -2,-0.5 2,-0.4 -26,-0.2 -26,-0.2 -0.960 4.0 175.3-137.2 111.7 20.0 108.7 31.6 88 88 A M E -E 60 0A 64 -28,-2.9 -28,-2.9 -2,-0.4 2,-0.5 -0.972 13.8-171.9-128.2 137.6 18.2 109.6 34.8 89 89 A E E -E 59 0A 115 -2,-0.4 2,-0.5 -30,-0.2 -30,-0.2 -0.992 7.2-169.0-123.4 124.0 15.3 108.1 36.7 90 90 A L E -E 58 0A 44 -32,-2.6 -32,-2.6 -2,-0.5 2,-0.6 -0.964 2.9-164.9-119.5 117.1 13.8 109.9 39.6 91 91 A T E -E 57 0A 75 -2,-0.5 -34,-0.2 -34,-0.2 -2,-0.0 -0.906 10.8-179.2-104.0 119.8 11.3 108.1 41.9 92 92 A I E -E 56 0A 13 -36,-2.7 -36,-1.8 -2,-0.6 2,-0.0 -0.961 26.0-123.6-121.7 128.7 9.2 110.4 44.2 93 93 A P E > -E 55 0A 65 0, 0.0 3,-1.7 0, 0.0 -38,-0.3 -0.381 22.4-121.5 -68.3 150.6 6.6 109.2 46.7 94 94 A I T 3 S+ 0 0 11 -40,-2.4 75,-2.0 1,-0.3 74,-0.4 0.652 108.6 68.6 -66.3 -14.2 3.1 110.7 46.3 95 95 A F T 3 S+ 0 0 22 -41,-0.3 2,-0.4 73,-0.2 -1,-0.3 0.527 72.7 112.2 -81.8 -6.5 3.4 112.0 49.9 96 96 A A < - 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