==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 10-JAN-96 1QBE . COMPND 2 MOLECULE: BACTERIOPHAGE Q BETA CAPSID; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE QBETA; . AUTHOR L.LILJAS,R.GOLMOHAMMADI . 378 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 65.3 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 . 124 32.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 25 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 16.1 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+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 1 2 0 0 0 0 0 0 0 3 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 . 1 0 0 6 3 0 3 0 0 0 0 0 3 0 0 0 0 0 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 0 152 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 2.2 6.5 128.6 32.3 2 2 A K - 0 0 159 1,-0.1 2,-1.2 0, 0.0 0, 0.0 -0.344 360.0-120.1 -55.8 121.7 5.9 130.0 28.8 3 3 A L + 0 0 62 -2,-0.1 2,-0.2 3,-0.0 258,-0.1 -0.540 55.5 153.7 -68.7 96.6 8.2 128.1 26.5 4 4 A E - 0 0 121 -2,-1.2 2,-0.3 1,-0.1 20,-0.1 -0.479 52.1 -71.7-115.0-174.3 10.3 131.0 25.2 5 5 A T - 0 0 84 -2,-0.2 2,-0.5 17,-0.1 17,-0.2 -0.623 47.9-152.4 -78.1 140.9 13.8 131.5 23.8 6 6 A V E -A 21 0A 56 15,-2.7 15,-3.0 -2,-0.3 2,-0.6 -0.972 6.4-161.5-123.1 118.7 16.4 131.2 26.5 7 7 A T E -A 20 0A 103 -2,-0.5 2,-0.5 13,-0.2 13,-0.2 -0.892 5.0-162.4-101.7 117.9 19.7 133.0 26.3 8 8 A L E -A 19 0A 70 11,-3.6 11,-2.5 -2,-0.6 2,-0.3 -0.881 14.6-167.6 -99.6 126.8 22.4 131.7 28.5 9 9 A G E + 0 0 45 -2,-0.5 9,-0.2 9,-0.2 7,-0.1 -0.743 55.1 24.2-115.2 165.5 25.3 134.1 29.0 10 10 A N E S+ 0 0 138 7,-0.4 8,-0.2 -2,-0.3 -1,-0.2 0.884 84.3 146.1 51.5 49.1 28.8 134.0 30.5 11 11 A I E +A 17 0A 62 6,-2.5 6,-1.5 -3,-0.2 5,-0.2 -0.516 20.9 58.2-106.3 176.0 29.2 130.3 29.9 12 12 A G S > S- 0 0 42 3,-0.2 3,-1.7 -2,-0.2 5,-0.1 -0.058 98.9 -63.0 90.0 166.3 32.1 128.2 29.0 13 13 A K T 3 S+ 0 0 196 1,-0.3 -1,-0.2 2,-0.1 106,-0.0 0.914 142.1 41.5 -51.2 -48.1 35.5 127.6 30.6 14 14 A D T 3 S- 0 0 103 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.2 0.474 105.1-133.5 -77.9 -6.9 36.3 131.2 30.1 15 15 A G S < S+ 0 0 25 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.1 0.695 78.5 111.4 59.8 19.0 32.8 132.2 31.1 16 16 A K + 0 0 69 -5,-0.2 2,-0.3 -6,-0.2 -4,-0.1 -0.122 53.5 88.3-114.8 36.1 32.9 134.4 28.1 17 17 A Q E -A 11 0A 115 -6,-1.5 -6,-2.5 -5,-0.1 -7,-0.4 -0.812 54.4-151.1-128.4 170.9 30.3 132.6 25.8 18 18 A T E - 0 0 108 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.998 1.5-161.4-145.3 143.3 26.6 132.6 25.2 19 19 A L E -A 8 0A 32 -11,-2.5 -11,-3.6 -2,-0.3 2,-0.5 -0.992 7.5-154.4-128.0 132.7 24.1 130.1 24.0 20 20 A V E -A 7 0A 56 -2,-0.4 18,-2.2 -13,-0.2 2,-0.6 -0.923 8.2-161.6-109.1 127.0 20.6 130.8 22.7 21 21 A L E -AB 6 37A 4 -15,-3.0 -15,-2.7 -2,-0.5 16,-0.2 -0.935 5.9-151.1-113.0 119.5 18.0 128.2 23.0 22 22 A N E - B 0 36A 63 14,-2.7 14,-1.7 -2,-0.6 -17,-0.1 -0.681 27.9-109.9 -86.7 137.9 14.9 128.3 20.8 23 23 A P E - B 0 35A 43 0, 0.0 12,-0.2 0, 0.0 -18,-0.1 -0.368 31.6-170.2 -62.8 147.8 11.7 126.8 22.2 24 24 A R E - 0 0 79 10,-1.9 11,-0.1 1,-0.4 3,-0.1 -0.192 36.0-102.7-139.4 47.5 10.8 123.7 20.4 25 25 A G E - 0 0 32 -22,-0.1 9,-1.9 1,-0.1 2,-0.5 0.105 41.2 -78.2 61.8-177.3 7.3 122.7 21.4 26 26 A V E - B 0 33A 66 7,-0.2 7,-0.2 234,-0.1 -1,-0.1 -0.963 37.1-123.4-127.5 114.2 6.3 119.9 23.9 27 27 A N E >>> - B 0 32A 41 5,-2.1 4,-2.5 -2,-0.5 5,-1.0 -0.396 17.7-148.5 -57.7 116.4 6.3 116.3 22.7 28 28 A P T 345S+ 0 0 24 0, 0.0 -1,-0.2 0, 0.0 262,-0.1 0.321 89.8 67.0 -70.2 6.8 2.7 115.2 23.4 29 29 A T T 345S+ 0 0 89 3,-0.1 -2,-0.1 260,-0.1 261,-0.0 0.801 123.3 5.7 -97.0 -34.2 3.9 111.7 24.1 30 30 A N T <45S- 0 0 108 -3,-1.0 3,-0.1 2,-0.1 -3,-0.1 0.420 96.4-116.7-125.5 -9.4 5.9 112.4 27.3 31 31 A G T <5 + 0 0 21 -4,-2.5 2,-0.5 1,-0.2 21,-0.4 0.930 59.7 158.8 69.3 42.8 5.0 116.0 27.9 32 32 A V E < -B 27 0A 25 -5,-1.0 -5,-2.1 19,-0.1 2,-0.3 -0.900 34.9-143.8-106.1 124.3 8.6 116.9 27.5 33 33 A A E -BC 26 50A 18 17,-2.8 17,-2.1 -2,-0.5 2,-0.4 -0.669 20.0-156.8 -82.8 142.6 9.5 120.5 26.6 34 34 A S E - C 0 49A 30 -9,-1.9 -10,-1.9 -2,-0.3 2,-0.4 -0.964 14.2-174.5-128.9 139.9 12.5 120.8 24.2 35 35 A L E -BC 23 48A 17 13,-2.8 13,-1.6 -2,-0.4 2,-0.3 -0.970 9.3-172.6-128.3 143.5 15.0 123.6 23.5 36 36 A S E -BC 22 47A 3 -14,-1.7 -14,-2.7 -2,-0.4 11,-0.2 -0.919 35.5 -83.8-136.3 160.5 17.7 123.6 20.9 37 37 A Q E > -B 21 0A 57 9,-1.4 3,-1.0 -2,-0.3 -16,-0.2 -0.406 51.9-114.4 -62.6 134.7 20.6 125.7 19.8 38 38 A A T 3 S+ 0 0 35 -18,-2.2 -18,-0.1 1,-0.2 3,-0.1 -0.385 92.6 13.5 -71.9 148.5 19.5 128.6 17.6 39 39 A G T 3 S+ 0 0 78 1,-0.2 -1,-0.2 -2,-0.1 2,-0.2 0.519 98.0 125.2 66.5 6.7 20.7 128.7 14.0 40 40 A A < - 0 0 27 -3,-1.0 -1,-0.2 6,-0.1 5,-0.1 -0.573 66.6-110.4 -97.5 160.7 21.9 125.1 14.1 41 41 A V > - 0 0 36 -2,-0.2 3,-2.9 1,-0.1 4,-0.3 -0.707 34.0-115.7 -84.7 139.0 20.9 122.2 11.8 42 42 A P G > S+ 0 0 3 0, 0.0 3,-1.9 0, 0.0 309,-0.2 0.855 113.2 60.5 -42.3 -46.1 18.8 119.6 13.5 43 43 A A G 3 S+ 0 0 21 307,-2.3 308,-0.1 1,-0.3 34,-0.1 0.622 117.0 32.4 -61.2 -12.6 21.4 116.9 13.2 44 44 A L G < S+ 0 0 41 -3,-2.9 -1,-0.3 306,-0.2 2,-0.2 0.130 85.9 137.0-130.1 18.3 23.8 119.0 15.2 45 45 A E < - 0 0 12 -3,-1.9 2,-0.5 -4,-0.3 -7,-0.1 -0.481 52.7-131.3 -72.1 136.1 21.5 120.9 17.6 46 46 A K - 0 0 68 -2,-0.2 -9,-1.4 20,-0.1 2,-0.2 -0.739 36.4-152.6 -83.1 128.4 22.5 121.2 21.2 47 47 A R E -CD 36 65A 65 18,-2.6 18,-1.6 -2,-0.5 2,-0.3 -0.692 26.0-177.7-107.6 165.7 19.5 120.1 23.2 48 48 A V E -CD 35 64A 23 -13,-1.6 -13,-2.8 -2,-0.2 2,-0.4 -0.944 12.9-169.5-155.6 130.0 17.9 120.8 26.6 49 49 A T E -CD 34 63A 33 14,-2.0 14,-1.6 -2,-0.3 2,-0.4 -0.971 4.4-169.7-130.3 146.9 14.8 119.1 27.8 50 50 A V E +CD 33 62A 53 -17,-2.1 -17,-2.8 -2,-0.4 2,-0.3 -0.999 7.5 172.4-136.8 138.5 12.5 119.7 30.8 51 51 A S E - D 0 61A 29 10,-1.5 10,-2.5 -2,-0.4 2,-0.6 -0.995 17.6-154.1-147.4 137.7 9.7 117.6 32.2 52 52 A V E - D 0 60A 82 -21,-0.4 8,-0.2 -2,-0.3 2,-0.1 -0.899 19.3-136.8-119.2 103.2 7.6 118.0 35.3 53 53 A S E - D 0 59A 43 6,-3.3 6,-0.6 -2,-0.6 -22,-0.0 -0.365 12.4-149.5 -57.6 127.7 6.1 114.8 36.7 54 54 A Q 0 0 96 1,-0.2 -1,-0.1 4,-0.1 4,-0.1 0.797 360.0 360.0 -73.3 -36.1 2.5 115.4 37.8 55 55 A P 0 0 95 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 0.459 360.0 360.0 -61.7 360.0 1.8 113.0 40.7 56 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 57 61 A N 0 0 119 0, 0.0 2,-0.3 0, 0.0 33,-0.2 0.000 360.0 360.0 360.0 135.3 5.9 112.2 44.4 58 62 A Y E - E 0 89A 40 31,-2.6 31,-1.6 -3,-0.2 2,-0.4 -0.836 360.0-167.2-112.7 149.4 7.0 114.9 42.0 59 63 A K E -DE 53 88A 121 -6,-0.6 -6,-3.3 -2,-0.3 2,-0.5 -0.998 9.7-168.8-138.6 132.5 9.9 114.8 39.6 60 64 A V E -DE 52 87A 41 27,-1.6 27,-2.6 -2,-0.4 2,-0.5 -0.989 17.9-172.1-118.9 119.1 11.6 117.6 37.6 61 65 A Q E -DE 51 86A 55 -10,-2.5 -10,-1.5 -2,-0.5 2,-0.4 -0.962 9.0-179.3-121.7 129.5 14.0 116.2 35.0 62 66 A V E -DE 50 85A 39 23,-2.2 23,-2.7 -2,-0.5 2,-0.4 -0.976 4.2-174.8-125.5 136.7 16.4 118.2 32.8 63 67 A K E -DE 49 84A 84 -14,-1.6 -14,-2.0 -2,-0.4 2,-0.4 -0.981 8.9-158.4-132.9 146.8 18.8 116.8 30.2 64 68 A I E -DE 48 83A 65 19,-2.3 19,-1.6 -2,-0.4 2,-0.4 -0.979 5.1-172.3-126.6 134.5 21.5 118.3 28.1 65 69 A Q E +DE 47 82A 71 -18,-1.6 -18,-2.6 -2,-0.4 17,-0.2 -0.973 3.9 179.8-128.4 116.1 22.8 116.8 24.8 66 70 A N E - E 0 81A 51 15,-2.3 15,-2.2 -2,-0.4 2,-0.1 -0.918 7.9-167.1-122.0 104.4 25.8 118.4 23.1 67 71 A P E - E 0 80A 14 0, 0.0 2,-0.4 0, 0.0 13,-0.2 -0.488 7.2-150.3 -82.6 159.7 27.1 116.8 19.9 68 72 A T E - E 0 79A 55 11,-1.8 10,-3.3 -2,-0.1 11,-0.9 -0.995 13.1-163.2-133.5 139.1 30.4 117.7 18.4 69 73 A A E - E 0 77A 51 -2,-0.4 2,-0.4 8,-0.2 8,-0.2 -0.998 18.7-165.5-143.4 146.5 31.4 117.7 14.7 70 74 A C E E 0 76A 86 6,-0.9 6,-0.9 -2,-0.4 -2,-0.0 -0.997 360.0 360.0-125.2 112.1 34.1 117.6 12.5 71 75 A T 0 0 150 -2,-0.4 3,-0.1 4,-0.2 6,-0.0 -0.168 360.0 360.0 -49.7 360.0 33.5 118.4 9.0 72 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 73 80 A C 0 0 176 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -26.3 29.7 118.1 2.2 74 81 A D - 0 0 105 -3,-0.1 2,-0.1 1,-0.0 277,-0.0 -0.822 360.0-136.3-103.5 108.6 27.8 117.0 5.6 75 82 A P - 0 0 34 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 -0.385 23.4-144.2 -61.5 134.4 29.7 117.2 9.0 76 83 A S E -E 70 0A 73 -6,-0.9 -6,-0.9 -2,-0.1 2,-0.4 -0.724 18.2-103.9-102.5 155.1 29.1 114.1 11.0 77 84 A V E -E 69 0A 58 -2,-0.3 -8,-0.2 -8,-0.2 3,-0.1 -0.627 31.3-177.7 -78.9 128.0 28.7 113.9 14.8 78 85 A T E - 0 0 94 -10,-3.3 2,-0.3 -2,-0.4 -1,-0.2 0.876 63.2 -13.1 -90.1 -48.8 31.8 112.5 16.5 79 86 A R E -E 68 0A 169 -11,-0.9 -11,-1.8 2,-0.0 2,-0.4 -0.942 55.7-135.6-149.7 171.5 30.7 112.4 20.1 80 87 A Q E -E 67 0A 70 -2,-0.3 2,-0.4 -13,-0.2 -15,-0.0 -0.985 8.6-148.4-135.2 141.3 28.1 113.7 22.5 81 88 A A E -E 66 0A 60 -15,-2.2 -15,-2.3 -2,-0.4 2,-0.4 -0.908 22.2-160.8-108.1 138.2 28.3 115.1 26.0 82 89 A Y E -E 65 0A 155 -2,-0.4 2,-0.4 -17,-0.2 -17,-0.2 -0.959 19.3-178.1-129.0 146.9 25.5 114.4 28.4 83 90 A A E -E 64 0A 42 -19,-1.6 -19,-2.3 -2,-0.4 2,-0.4 -0.998 9.8-173.3-135.9 130.7 24.1 115.9 31.6 84 91 A D E +E 63 0A 97 -2,-0.4 2,-0.4 -21,-0.2 -21,-0.2 -0.988 5.5 176.6-132.3 124.3 21.1 114.3 33.4 85 92 A V E +E 62 0A 48 -23,-2.7 -23,-2.2 -2,-0.4 2,-0.4 -0.983 4.7 180.0-129.9 140.9 19.4 115.8 36.4 86 93 A T E -E 61 0A 82 -2,-0.4 2,-0.3 -25,-0.2 -25,-0.2 -0.993 6.9-165.2-143.0 129.5 16.4 114.7 38.3 87 94 A F E -E 60 0A 33 -27,-2.6 -27,-1.6 -2,-0.4 2,-0.4 -0.855 5.7-165.8-110.8 150.7 14.7 116.4 41.3 88 95 A S E +E 59 0A 78 -2,-0.3 2,-0.3 -29,-0.2 -29,-0.2 -1.000 9.7 173.4-139.7 133.6 12.2 114.6 43.6 89 96 A F E -E 58 0A 34 -31,-1.6 -31,-2.6 -2,-0.4 2,-0.1 -0.996 29.9-117.1-142.4 147.1 9.9 116.2 46.1 90 97 A T > - 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