==== 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/RNA 06-AUG-97 1AQ4 . COMPND 2 MOLECULE: PROTEIN(BACTERIOPHAGE MS2 COAT PROTEIN); . SOURCE 2 MOL_ID: 2; . AUTHOR L.LILJAS S.VAN DEN WORM,N.STONEHOUSE,K.VALEGARD . 387 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24849.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 70.8 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 . 124 32.0 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 . 49 12.7 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 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 5 3 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 . 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 0 161 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-164.6 1.9 128.7 31.5 2 2 A S - 0 0 57 150,-0.1 260,-0.1 151,-0.0 151,-0.0 -0.209 360.0-149.0 140.3 120.9 2.9 125.4 29.7 3 3 A N S S+ 0 0 151 -2,-0.2 2,-2.4 1,-0.1 0, 0.0 0.449 72.5 105.9 -94.4 2.3 6.3 124.5 30.9 4 4 A F + 0 0 23 257,-0.2 2,-0.3 17,-0.0 -1,-0.1 -0.472 55.3 129.9 -80.4 74.4 7.0 123.0 27.5 5 5 A T - 0 0 67 -2,-2.4 2,-0.1 16,-0.1 15,-0.1 -0.777 62.2 -92.2-124.1 169.6 9.3 125.9 26.5 6 6 A Q + 0 0 119 -2,-0.3 2,-0.3 15,-0.1 15,-0.2 -0.486 43.5 175.8 -82.7 152.1 12.8 126.3 25.1 7 7 A F E -A 20 0A 81 13,-1.9 13,-2.8 -2,-0.1 2,-0.7 -0.947 37.8 -96.6-149.0 163.7 15.8 126.6 27.3 8 8 A V E -A 19 0A 70 -2,-0.3 11,-0.3 11,-0.3 3,-0.2 -0.818 32.3-177.5 -91.8 114.6 19.5 126.9 27.1 9 9 A L E S+ 0 0 52 9,-1.8 2,-0.6 -2,-0.7 10,-0.2 0.894 77.7 31.2 -75.7 -46.2 21.1 123.5 27.6 10 10 A V E S-A 18 0A 44 8,-2.1 8,-2.7 2,-0.0 2,-1.1 -0.939 75.3-156.4-119.1 106.2 24.7 124.5 27.3 11 11 A D + 0 0 115 -2,-0.6 6,-0.1 6,-0.2 8,-0.0 -0.729 17.8 173.0 -84.0 100.2 25.3 128.0 28.5 12 12 A N > - 0 0 94 -2,-1.1 3,-0.8 2,-0.0 -1,-0.1 -0.035 65.6 -89.3 -96.6 32.3 28.5 129.1 26.8 13 13 A G T 3 S- 0 0 54 1,-0.2 2,-3.2 3,-0.0 -2,-0.1 0.988 81.1 -48.6 58.5 78.8 28.0 132.6 28.1 14 14 A G T 3 S+ 0 0 64 1,-0.1 2,-0.7 2,-0.1 3,-0.4 -0.033 126.3 81.0 59.0 -36.6 25.9 134.2 25.4 15 15 A T S < S- 0 0 123 -2,-3.2 -1,-0.1 -3,-0.8 3,-0.1 -0.806 107.9 -1.8-110.7 107.2 28.1 133.1 22.5 16 16 A G S S+ 0 0 56 -2,-0.7 -1,-0.2 1,-0.2 2,-0.2 0.829 85.1 166.6 87.8 31.3 27.7 129.5 21.2 17 17 A D - 0 0 49 -3,-0.4 2,-0.7 -6,-0.1 -6,-0.2 -0.594 34.4-132.9 -74.9 145.4 25.0 128.7 23.8 18 18 A V E -A 10 0A 24 -8,-2.7 -8,-2.1 -2,-0.2 -9,-1.8 -0.945 27.6-175.0-104.2 111.9 23.2 125.5 22.9 19 19 A T E -A 8 0A 59 -2,-0.7 16,-0.4 -11,-0.3 2,-0.4 -0.852 9.3-154.2-105.4 153.8 19.5 126.1 23.3 20 20 A V E -A 7 0A 0 -13,-2.8 -13,-1.9 -2,-0.3 14,-0.2 -0.943 8.9-158.0-129.5 137.9 17.0 123.3 22.9 21 21 A A E -B 33 0B 35 12,-2.2 12,-1.8 -2,-0.4 -15,-0.1 -0.924 32.4 -86.1-123.4 152.6 13.3 123.8 21.8 22 22 A P E +B 32 0B 40 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.257 51.8 160.7 -53.1 130.2 10.1 121.8 22.2 23 23 A S E + 0 0 41 8,-2.6 2,-0.3 1,-0.4 9,-0.2 0.504 53.3 0.8-133.5 -9.7 9.9 119.4 19.3 24 24 A N E -B 31 0B 53 7,-1.1 7,-2.5 1,-0.1 -1,-0.4 -0.913 31.5-178.0-175.9 147.4 7.4 116.5 20.0 25 25 A F > + 0 0 42 -2,-0.3 3,-1.4 5,-0.2 132,-0.6 0.091 38.9 144.9-137.5 18.8 5.1 115.3 22.6 26 26 A A G > S+ 0 0 15 1,-0.3 3,-1.0 2,-0.2 260,-0.1 -0.358 71.8 8.9 -64.8 136.1 4.0 112.1 20.9 27 27 A N G 3 S- 0 0 97 258,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.730 127.6 -69.1 68.0 24.6 3.3 109.2 23.3 28 28 A G G < S+ 0 0 8 -3,-1.4 2,-0.6 1,-0.2 20,-0.3 0.743 102.9 124.0 68.6 20.8 3.6 111.3 26.4 29 29 A V < - 0 0 58 -3,-1.0 2,-0.3 18,-0.1 18,-0.2 -0.960 54.6-145.3-116.5 108.5 7.3 111.8 26.0 30 30 A A E - C 0 46B 11 16,-2.4 16,-2.4 -2,-0.6 2,-0.4 -0.590 23.5-169.6 -71.8 128.1 8.2 115.5 25.9 31 31 A E E -BC 24 45B 20 -7,-2.5 -8,-2.6 -2,-0.3 -7,-1.1 -0.943 15.4-176.6-125.0 149.0 11.1 116.0 23.5 32 32 A W E +BC 22 44B 30 12,-2.2 12,-2.5 -2,-0.4 2,-0.3 -0.991 8.1 178.9-138.4 136.6 13.4 119.0 22.8 33 33 A I E -BC 21 43B 29 -12,-1.8 -12,-2.2 -2,-0.3 10,-0.2 -0.931 26.5-112.9-137.5 160.5 16.1 119.2 20.2 34 34 A S - 0 0 7 8,-1.3 2,-2.3 -2,-0.3 -14,-0.2 -0.466 45.2 -86.6 -86.4 167.9 18.6 121.8 19.0 35 35 A S S S+ 0 0 94 -16,-0.4 2,-0.3 -2,-0.1 323,-0.1 -0.406 89.4 101.3 -74.3 72.4 18.5 123.5 15.6 36 36 A N S S- 0 0 53 -2,-2.3 2,-0.1 6,-0.1 5,-0.1 -0.797 87.2 -70.7-140.3-179.7 20.6 121.0 13.6 37 37 A S >> - 0 0 0 -2,-0.3 3,-1.5 1,-0.1 4,-0.7 -0.467 56.7-109.7 -69.9 148.4 20.0 118.3 11.3 38 38 A R T 34 S+ 0 0 64 318,-0.7 317,-0.2 1,-0.3 -1,-0.1 0.710 119.3 63.3 -55.5 -19.9 18.4 115.6 13.3 39 39 A S T 34 S+ 0 0 14 315,-1.6 -1,-0.3 1,-0.2 316,-0.1 0.769 112.9 32.0 -77.2 -26.7 21.7 113.7 12.9 40 40 A Q T <4 S+ 0 0 33 -3,-1.5 -2,-0.2 314,-0.3 -1,-0.2 0.308 94.7 122.1-112.5 7.6 23.7 116.3 14.7 41 41 A A < - 0 0 5 -4,-0.7 2,-0.3 -3,-0.1 -6,-0.1 -0.368 59.5-128.1 -80.6 149.3 21.1 117.5 17.3 42 42 A Y - 0 0 47 -23,-0.1 -8,-1.3 -2,-0.1 2,-0.4 -0.626 34.5-159.5 -78.6 155.6 21.3 117.6 21.0 43 43 A K E -CD 33 63B 71 20,-1.6 20,-1.9 -2,-0.3 2,-0.4 -0.996 19.3-173.2-147.4 139.6 18.2 116.0 22.4 44 44 A V E -CD 32 62B 11 -12,-2.5 -12,-2.2 -2,-0.4 2,-0.4 -0.996 9.1-176.8-130.9 135.4 16.4 116.0 25.7 45 45 A A E +CD 31 61B 17 16,-2.1 16,-2.4 -2,-0.4 2,-0.3 -1.000 2.4 178.1-134.7 140.5 13.4 113.7 26.5 46 46 A C E +CD 30 60B 34 -16,-2.4 -16,-2.4 -2,-0.4 2,-0.3 -0.999 5.6 163.9-144.3 142.1 11.3 113.7 29.6 47 47 A S E - D 0 59B 35 12,-1.4 12,-2.9 -2,-0.3 2,-0.4 -0.976 17.5-153.0-155.0 152.7 8.3 111.7 30.8 48 48 A V E + D 0 58B 40 -20,-0.3 2,-0.3 -2,-0.3 10,-0.2 -0.996 16.0 174.0-128.8 138.3 6.5 111.0 34.1 49 49 A R E - D 0 57B 128 8,-2.1 8,-3.0 -2,-0.4 2,-1.8 -0.982 42.4-114.0-144.3 151.3 4.5 107.9 35.1 50 50 A Q + 0 0 88 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.683 42.5 179.0 -83.5 83.8 2.8 106.7 38.2 51 51 A S + 0 0 48 -2,-1.8 -1,-0.2 2,-0.0 5,-0.2 0.951 63.7 12.0 -54.6 -59.7 5.1 103.7 38.4 52 52 A S S S- 0 0 58 3,-0.4 5,-0.1 -3,-0.2 0, 0.0 -0.250 91.4 -98.4-103.1-164.9 3.8 102.2 41.6 53 53 A A S S+ 0 0 76 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.771 126.1 33.8 -82.3 -30.5 0.5 103.0 43.3 54 54 A Q S S+ 0 0 74 39,-0.0 40,-2.2 40,-0.0 41,-0.3 0.281 114.9 59.9-111.5 14.6 2.6 105.2 45.7 55 55 A N E - E 0 93B 48 38,-0.3 -3,-0.4 39,-0.1 2,-0.3 -0.921 55.6-155.6-135.7 166.2 5.4 106.5 43.5 56 56 A R E - E 0 92B 27 36,-1.7 36,-2.1 -2,-0.3 2,-0.4 -0.953 17.5-152.8-137.0 146.6 5.8 108.6 40.4 57 57 A K E -DE 49 91B 37 -8,-3.0 -8,-2.1 -2,-0.3 2,-0.4 -0.985 5.9-157.2-134.5 128.4 8.8 108.2 38.3 58 58 A Y E -DE 48 90B 66 32,-2.5 32,-2.2 -2,-0.4 2,-0.6 -0.854 6.9-161.9-100.6 132.5 10.4 110.7 36.0 59 59 A T E -DE 47 89B 18 -12,-2.9 -12,-1.4 -2,-0.4 2,-0.4 -0.973 12.2-178.1-118.2 116.3 12.6 109.4 33.1 60 60 A I E -DE 46 88B 41 28,-2.7 28,-3.2 -2,-0.6 2,-0.4 -0.963 3.9-175.8-118.3 132.6 15.0 112.0 31.7 61 61 A K E -DE 45 87B 105 -16,-2.4 -16,-2.1 -2,-0.4 2,-0.4 -0.995 2.8-176.8-132.3 128.5 17.4 111.4 28.8 62 62 A V E -DE 44 86B 24 24,-2.0 24,-2.8 -2,-0.4 2,-0.4 -0.951 6.3-164.5-123.7 139.3 20.0 113.8 27.3 63 63 A E E -DE 43 85B 45 -20,-1.9 -20,-1.6 -2,-0.4 22,-0.2 -0.995 1.3-168.0-125.8 122.6 22.2 113.1 24.3 64 64 A V E - E 0 84B 55 20,-2.3 20,-2.7 -2,-0.4 2,-0.2 -0.955 15.9-151.9-111.0 115.9 25.2 115.3 23.6 65 65 A P E - E 0 83B 12 0, 0.0 2,-0.7 0, 0.0 18,-0.2 -0.562 16.1-141.5 -91.5 158.0 26.8 114.8 20.1 66 66 A K E - E 0 82B 107 16,-2.5 15,-3.0 -2,-0.2 16,-0.8 -0.950 36.2-138.9-110.7 101.9 30.3 115.3 18.9 67 67 A V E + E 0 80B 82 -2,-0.7 2,-0.3 13,-0.3 13,-0.3 -0.398 32.4 158.4 -71.8 142.2 29.6 116.8 15.5 68 68 A A E - E 0 79B 35 11,-2.6 11,-3.0 -2,-0.1 2,-0.5 -0.915 38.0-121.0-150.8 169.2 31.6 115.8 12.4 69 69 A T E - E 0 78B 93 -2,-0.3 2,-0.4 9,-0.2 7,-0.0 -0.990 31.7-161.7-118.3 122.0 31.3 115.8 8.6 70 70 A Q E - E 0 77B 105 7,-2.6 7,-3.1 -2,-0.5 2,-1.0 -0.909 16.9-139.1-116.6 137.6 31.6 112.4 7.0 71 71 A T E + E 0 76B 89 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.794 29.8 172.4 -91.6 99.9 32.4 111.4 3.4 72 72 A V E > S- E 0 75B 69 3,-2.7 3,-1.8 -2,-1.0 -2,-0.0 -0.952 72.8 -7.6-110.0 126.5 30.0 108.6 2.6 73 73 A G T 3 S- 0 0 78 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.850 129.9 -58.1 57.4 34.1 30.1 107.5 -1.1 74 74 A G T 3 S+ 0 0 71 1,-0.2 2,-0.3 -3,-0.2 -1,-0.3 0.610 120.0 108.2 72.9 11.2 32.3 110.5 -2.0 75 75 A V E < -E 72 0B 86 -3,-1.8 -3,-2.7 -5,-0.0 2,-0.5 -0.929 68.8-123.7-121.4 144.4 29.6 112.8 -0.6 76 76 A E E -E 71 0B 139 -2,-0.3 -5,-0.2 -5,-0.2 -7,-0.0 -0.774 27.6-176.6 -95.1 127.1 29.7 114.8 2.6 77 77 A L E -E 70 0B 44 -7,-3.1 -7,-2.6 -2,-0.5 2,-0.4 -0.884 32.9-112.8-122.5 143.7 27.0 114.4 5.2 78 78 A P E +E 69 0B 32 0, 0.0 2,-0.2 0, 0.0 -9,-0.2 -0.623 56.3 162.2 -70.8 127.4 26.4 116.3 8.6 79 79 A V E -E 68 0B 26 -11,-3.0 -11,-2.6 -2,-0.4 2,-0.5 -0.804 44.1-115.0-143.7 174.1 27.1 113.6 11.1 80 80 A A E -E 67 0B 28 -13,-0.3 -13,-0.3 -2,-0.2 3,-0.1 -0.987 13.9-155.1-118.3 116.1 27.8 112.9 14.8 81 81 A A E S- 0 0 59 -15,-3.0 2,-0.3 -2,-0.5 -14,-0.1 0.881 77.5 -29.7 -55.1 -40.1 31.3 111.3 15.4 82 82 A W E -E 66 0B 155 -16,-0.8 -16,-2.5 -3,-0.1 2,-0.4 -0.949 62.0-128.3-165.0 173.6 29.8 109.9 18.7 83 83 A R E -E 65 0B 47 -2,-0.3 2,-0.4 -18,-0.2 -20,-0.0 -0.996 6.4-144.5-138.4 143.6 27.2 110.7 21.3 84 84 A S E -E 64 0B 65 -20,-2.7 -20,-2.3 -2,-0.4 2,-0.5 -0.884 22.3-151.7-105.3 134.8 27.3 110.9 25.1 85 85 A Y E -E 63 0B 138 -2,-0.4 2,-0.5 -22,-0.2 -22,-0.2 -0.943 12.4-169.1-117.3 129.4 24.1 109.7 26.9 86 86 A L E -E 62 0B 87 -24,-2.8 -24,-2.0 -2,-0.5 2,-0.5 -0.940 10.4-178.3-111.0 129.9 22.7 110.7 30.2 87 87 A N E +E 61 0B 98 -2,-0.5 2,-0.4 -26,-0.2 -26,-0.2 -0.965 5.1 173.8-132.3 114.8 19.9 108.6 31.6 88 88 A M E -E 60 0B 66 -28,-3.2 -28,-2.7 -2,-0.5 2,-0.4 -0.946 15.0-170.5-126.7 145.2 18.2 109.5 34.8 89 89 A E E -E 59 0B 119 -2,-0.4 2,-0.5 -30,-0.2 -30,-0.2 -0.996 7.1-167.1-130.2 128.2 15.2 108.2 36.7 90 90 A L E -E 58 0B 45 -32,-2.2 -32,-2.5 -2,-0.4 2,-0.6 -0.968 3.4-161.7-119.2 121.2 13.8 109.9 39.7 91 91 A T E -E 57 0B 74 -2,-0.5 -34,-0.2 -34,-0.2 -2,-0.0 -0.927 11.6-179.3-106.2 119.4 11.3 108.1 42.0 92 92 A I E -E 56 0B 9 -36,-2.1 -36,-1.7 -2,-0.6 -2,-0.0 -0.945 27.2-120.7-119.2 129.4 9.3 110.4 44.3 93 93 A P E > -E 55 0B 65 0, 0.0 3,-1.3 0, 0.0 -38,-0.3 -0.284 22.2-120.9 -64.9 154.7 6.7 109.1 46.7 94 94 A I T 3 S+ 0 0 11 -40,-2.2 75,-1.7 1,-0.2 74,-0.6 0.728 110.3 68.3 -68.1 -17.2 3.1 110.5 46.3 95 95 A F T 3 S+ 0 0 22 -41,-0.3 2,-0.4 73,-0.2 -1,-0.2 0.414 73.2 117.0 -80.7 -1.3 3.4 111.8 49.9 96 96 A A < - 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