==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSLATION 03-JAN-02 1KQ1 . COMPND 2 MOLECULE: HOST FACTOR FOR Q BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.A.SCHUMACHER,R.F.PEARSON,T.MOLLER,P.VALENTIN-HANSEN, . 734 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32175.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 619 84.3 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 . 354 48.2 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 . 12 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 24 3.3 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 . 91 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 0 0 0 0 6 6 0 0 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 5 30 15 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 2 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 6 A N > 0 0 81 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 124.5 46.8 4.6 28.6 2 7 A I H > + 0 0 27 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.889 360.0 41.6 -53.2 -51.1 44.2 6.7 26.8 3 8 A Q H > S+ 0 0 17 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.910 114.9 48.8 -65.1 -44.5 46.5 8.4 24.3 4 9 A D H > S+ 0 0 80 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.897 114.4 47.0 -64.2 -38.0 48.6 5.3 23.4 5 10 A K H X S+ 0 0 127 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.908 111.8 50.9 -70.7 -41.9 45.4 3.3 22.9 6 11 A A H X S+ 0 0 19 -4,-2.4 4,-2.7 -5,-0.3 -2,-0.2 0.935 112.3 44.8 -62.9 -46.4 43.8 6.0 20.8 7 12 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.880 110.8 54.5 -65.6 -36.9 46.8 6.4 18.5 8 13 A E H X S+ 0 0 108 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.940 112.6 44.7 -61.2 -42.1 47.2 2.6 18.1 9 14 A N H X S+ 0 0 74 -4,-2.3 4,-2.6 1,-0.2 6,-0.3 0.905 110.2 53.1 -69.0 -42.6 43.5 2.5 17.0 10 15 A F H X>S+ 0 0 18 -4,-2.7 5,-1.5 1,-0.2 4,-0.6 0.914 113.9 43.3 -58.3 -43.3 43.8 5.5 14.7 11 16 A K H ><5S+ 0 0 100 -4,-2.3 3,-0.5 3,-0.2 -2,-0.2 0.936 115.3 47.9 -66.7 -47.9 46.7 3.9 12.9 12 17 A A H 3<5S+ 0 0 70 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.886 119.7 37.9 -62.8 -40.6 45.2 0.4 12.8 13 18 A N H 3<5S- 0 0 112 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.463 101.9-128.8 -90.2 -3.5 41.9 1.6 11.5 14 19 A Q T <<5 - 0 0 151 -4,-0.6 -3,-0.2 -3,-0.5 -4,-0.1 0.875 40.7-169.7 54.9 38.1 43.3 4.2 9.2 15 20 A T < - 0 0 32 -5,-1.5 16,-0.6 -6,-0.3 2,-0.5 -0.289 23.8-121.0 -60.9 135.2 40.9 6.6 10.9 16 21 A E E +A 30 0A 90 14,-0.1 2,-0.4 -3,-0.1 14,-0.2 -0.678 43.6 175.1 -79.5 124.9 40.5 10.1 9.3 17 22 A V E -A 29 0A 0 12,-3.1 12,-2.7 -2,-0.5 2,-0.6 -0.969 30.6-138.0-133.7 150.6 41.4 12.6 12.0 18 23 A T E -AB 28 59A 23 41,-2.6 41,-3.3 -2,-0.4 2,-0.6 -0.949 18.7-153.6-106.4 125.1 41.9 16.3 12.1 19 24 A V E -AB 27 58A 0 8,-3.1 8,-1.9 -2,-0.6 2,-0.4 -0.891 6.8-159.1 -96.6 124.9 44.9 17.4 14.1 20 25 A F E -AB 26 57A 35 37,-2.9 36,-3.4 -2,-0.6 37,-1.3 -0.885 10.6-145.6-101.8 138.7 44.6 20.9 15.6 21 26 A F E > - B 0 55A 16 4,-2.7 3,-1.9 -2,-0.4 34,-0.2 -0.458 29.3 -98.5 -96.7 171.5 47.8 22.6 16.6 22 27 A L T 3 S+ 0 0 38 32,-2.1 62,-0.2 1,-0.3 33,-0.1 0.825 123.3 52.8 -59.5 -34.0 48.5 25.0 19.4 23 28 A N T 3 S- 0 0 42 127,-0.3 -1,-0.3 31,-0.3 3,-0.1 0.395 121.6-105.9 -85.2 4.7 48.1 28.0 17.2 24 29 A G S < S+ 0 0 21 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.0 0.366 76.2 133.6 94.0 -9.6 44.7 26.8 16.0 25 30 A F - 0 0 30 -5,-0.1 -4,-2.7 1,-0.0 2,-0.3 -0.277 40.2-153.4 -68.8 161.9 45.7 25.7 12.5 26 31 A Q E -A 20 0A 48 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.973 17.7-168.8-142.7 154.9 44.4 22.2 11.5 27 32 A M E -A 19 0A 38 -8,-1.9 -8,-3.1 -2,-0.3 2,-0.4 -0.973 12.4-150.2-146.0 127.0 45.3 19.4 9.2 28 33 A K E +A 18 0A 51 -2,-0.3 16,-0.3 -10,-0.3 2,-0.3 -0.857 42.5 99.1-103.0 133.7 43.1 16.4 8.2 29 34 A G E -A 17 0A 2 -12,-2.7 -12,-3.1 -2,-0.4 2,-0.4 -0.905 65.4 -62.8-176.2-159.4 44.6 13.1 7.4 30 35 A V E -AC 16 42A 25 12,-1.9 12,-3.2 -2,-0.3 2,-0.7 -0.963 38.4-127.1-118.7 132.3 45.5 9.6 8.4 31 36 A I E + C 0 41A 1 -16,-0.6 10,-0.2 -2,-0.4 -17,-0.2 -0.697 30.1 175.1 -79.9 116.3 48.0 8.7 11.1 32 37 A E E - 0 0 82 8,-2.5 2,-0.3 -2,-0.7 -1,-0.2 0.787 64.0 -7.6 -90.4 -33.6 50.5 6.3 9.5 33 38 A E E + C 0 40A 90 7,-1.1 7,-3.0 2,-0.0 -1,-0.3 -0.967 62.6 178.0-157.1 162.6 52.9 5.9 12.3 34 39 A Y E - C 0 39A 58 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.983 6.2-171.6-162.0 163.5 53.6 7.4 15.7 35 40 A D - 0 0 18 3,-2.6 94,-0.1 -2,-0.3 -2,-0.0 -0.759 54.5 -70.6-143.7-165.5 55.9 7.2 18.6 36 41 A K S S+ 0 0 142 -2,-0.2 3,-0.1 1,-0.2 93,-0.1 0.786 129.6 24.6 -64.7 -21.5 56.1 8.7 22.1 37 42 A Y S S+ 0 0 130 1,-0.1 15,-2.7 15,-0.1 16,-0.5 0.702 120.0 33.2-116.2 -26.8 57.0 12.1 20.7 38 43 A V E - D 0 51A 0 13,-0.3 -3,-2.6 14,-0.1 2,-0.4 -0.848 53.5-148.3-135.8 163.4 55.7 12.5 17.1 39 44 A V E -CD 34 50A 0 11,-2.2 11,-3.5 -2,-0.3 2,-0.7 -0.986 14.2-142.8-129.7 139.5 52.9 11.5 14.8 40 45 A S E -CD 33 49A 14 -7,-3.0 -8,-2.5 -2,-0.4 -7,-1.1 -0.938 23.5-171.4-105.5 114.6 53.3 11.0 11.1 41 46 A L E -CD 31 48A 0 7,-3.1 7,-1.5 -2,-0.7 2,-0.7 -0.915 16.3-149.0-112.5 125.9 50.2 12.2 9.4 42 47 A N E +CD 30 47A 39 -12,-3.2 -12,-1.9 -2,-0.5 2,-0.4 -0.840 32.4 163.4 -93.0 118.7 49.5 11.7 5.6 43 48 A S E > - D 0 46A 5 3,-2.8 3,-1.9 -2,-0.7 -14,-0.2 -0.996 58.4 -7.8-143.0 133.8 47.4 14.7 4.4 44 49 A Q T 3 S- 0 0 90 -2,-0.4 -1,-0.1 -16,-0.3 3,-0.1 0.901 130.2 -51.9 48.7 46.4 46.7 16.0 0.9 45 50 A G T 3 S+ 0 0 64 1,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.489 119.9 92.5 73.7 6.6 49.1 13.6 -0.5 46 51 A K E < S-D 43 0A 50 -3,-1.9 -3,-2.8 -5,-0.0 2,-0.3 -0.962 70.7-117.3-136.8 151.5 52.1 14.4 1.6 47 52 A Q E -D 42 0A 74 -2,-0.3 141,-0.6 -5,-0.2 2,-0.4 -0.615 23.5-168.2 -83.8 142.7 53.6 13.2 4.9 48 53 A H E -DE 41 187A 16 -7,-1.5 -7,-3.1 -2,-0.3 2,-0.8 -0.991 12.2-152.5-133.5 122.8 53.9 15.5 7.9 49 54 A L E -DE 40 186A 14 137,-2.6 137,-2.1 -2,-0.4 2,-0.4 -0.875 26.2-169.0 -96.7 111.0 56.0 14.5 11.0 50 55 A I E -DE 39 185A 0 -11,-3.5 -11,-2.2 -2,-0.8 2,-0.4 -0.856 19.9-130.9-112.2 133.7 54.3 16.4 13.8 51 56 A Y E > -D 38 0A 6 133,-2.8 3,-2.1 -2,-0.4 4,-0.4 -0.602 12.4-140.0 -77.6 134.6 55.5 16.9 17.3 52 57 A K G > S+ 0 0 14 -15,-2.7 3,-1.6 -2,-0.4 -1,-0.1 0.840 101.7 69.0 -63.4 -27.4 53.0 16.1 20.0 53 58 A H G 3 S+ 0 0 72 -16,-0.5 -1,-0.3 1,-0.3 -15,-0.1 0.714 101.4 47.8 -63.8 -17.0 54.1 19.1 21.9 54 59 A A G < S+ 0 0 1 -3,-2.1 -32,-2.1 130,-0.2 2,-0.4 0.430 93.9 96.1-100.6 -0.6 52.6 21.2 19.1 55 60 A I E < +B 21 0A 0 -3,-1.6 -34,-0.3 -4,-0.4 3,-0.1 -0.739 40.6 175.7 -94.4 137.4 49.2 19.3 19.0 56 61 A S E - 0 0 7 -36,-3.4 56,-2.4 -2,-0.4 2,-0.3 0.797 65.4 -2.9 -97.6 -50.0 46.2 20.5 20.8 57 62 A T E -BF 20 111A 5 -37,-1.3 -37,-2.9 54,-0.2 2,-0.5 -0.983 46.2-143.8-149.1 150.4 43.5 18.1 19.8 58 63 A Y E -BF 19 110A 0 52,-2.3 52,-2.8 -2,-0.3 2,-0.5 -0.985 24.8-160.4-112.0 121.7 42.7 15.1 17.6 59 64 A T E BF 18 109A 9 -41,-3.3 -41,-2.6 -2,-0.5 50,-0.2 -0.905 360.0 360.0-105.3 130.1 39.2 15.3 16.2 60 65 A V 0 0 67 48,-2.3 -1,-0.2 -2,-0.5 49,-0.1 0.941 360.0 360.0 -88.7 360.0 37.7 12.1 15.0 61 !* 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 62 6 B N > 0 0 85 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 106.4 43.8 16.5 44.1 63 7 B I H > + 0 0 35 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.900 360.0 45.1 -49.2 -51.3 41.8 19.6 42.9 64 8 B Q H > S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.928 114.0 46.8 -63.6 -48.8 42.1 18.7 39.3 65 9 B D H > S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.870 111.3 53.0 -64.1 -35.9 41.3 15.0 39.6 66 10 B K H X S+ 0 0 112 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.891 111.1 45.9 -68.5 -35.7 38.3 15.8 41.8 67 11 B A H X S+ 0 0 21 -4,-1.8 4,-3.1 -5,-0.2 -2,-0.2 0.937 114.1 46.3 -72.1 -45.3 36.8 18.3 39.3 68 12 B L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.854 110.6 55.0 -63.8 -35.0 37.3 16.0 36.3 69 13 B E H X S+ 0 0 120 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.915 111.9 44.3 -62.0 -45.3 35.8 13.1 38.3 70 14 B N H X S+ 0 0 75 -4,-1.7 4,-2.5 2,-0.2 6,-0.3 0.920 111.4 51.7 -66.8 -46.8 32.8 15.3 39.0 71 15 B F H X>S+ 0 0 13 -4,-3.1 5,-1.5 1,-0.2 4,-0.8 0.915 114.1 44.9 -58.7 -42.7 32.5 16.5 35.4 72 16 B K H <5S+ 0 0 100 -4,-2.3 3,-0.4 2,-0.2 -2,-0.2 0.931 115.0 44.7 -68.0 -47.8 32.6 13.0 34.1 73 17 B A H <5S+ 0 0 82 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.879 121.4 39.8 -66.2 -36.0 30.2 11.4 36.6 74 18 B N H <5S- 0 0 104 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.472 100.8-131.0 -91.0 -3.8 27.7 14.2 36.3 75 19 B Q T <5 - 0 0 125 -4,-0.8 -3,-0.2 -3,-0.4 -4,-0.1 0.874 40.2-171.6 53.2 39.6 28.1 14.7 32.5 76 20 B T < - 0 0 37 -5,-1.5 2,-0.9 -6,-0.3 16,-0.5 -0.233 31.1-111.5 -62.5 145.3 28.5 18.4 33.1 77 21 B E - 0 0 103 14,-0.1 45,-0.5 12,-0.1 2,-0.4 -0.738 47.1-174.7 -80.5 108.9 28.6 20.9 30.2 78 22 B V E -G 90 0A 0 12,-3.1 12,-2.6 -2,-0.9 2,-0.6 -0.913 20.4-148.9-111.8 136.5 32.2 21.9 30.4 79 23 B T E -GH 89 120A 16 41,-2.8 41,-2.5 -2,-0.4 2,-0.5 -0.928 13.7-156.7-104.8 121.5 33.8 24.6 28.3 80 24 B V E -GH 88 119A 0 8,-3.0 8,-2.4 -2,-0.6 2,-0.4 -0.874 2.9-157.4 -97.6 124.8 37.5 23.9 27.7 81 25 B F E -GH 87 118A 35 37,-2.8 36,-3.4 -2,-0.5 37,-1.2 -0.878 11.6-146.4-101.2 135.0 39.6 27.0 26.8 82 26 B F E > - H 0 116A 9 4,-2.9 3,-2.2 -2,-0.4 34,-0.2 -0.474 29.6 -99.2 -92.9 171.1 42.8 26.3 24.9 83 27 B L T 3 S+ 0 0 37 32,-2.1 253,-0.2 1,-0.3 33,-0.1 0.816 123.6 53.8 -61.9 -29.6 46.1 28.1 25.1 84 28 B N T 3 S- 0 0 38 31,-0.3 -1,-0.3 -62,-0.2 3,-0.1 0.469 122.0-105.4 -85.3 2.5 45.3 30.1 22.0 85 29 B G S < S+ 0 0 13 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.0 0.303 75.3 135.6 96.6 -12.0 42.0 31.2 23.5 86 30 B F - 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0 0 8 -36,-3.4 -67,-2.6 -2,-0.4 2,-0.3 0.810 65.0 -1.4 -99.2 -48.9 52.6 45.6 6.7 741 62 W T E -DF 672 704B 5 -37,-1.3 -37,-2.9 -69,-0.2 2,-0.4 -0.983 47.3-148.0-146.9 152.0 56.0 46.4 5.3 742 63 W Y E +DF 671 703B 2 -71,-2.1 -71,-2.7 -2,-0.3 2,-0.3 -0.971 26.6 176.9-115.3 134.3 58.4 46.2 2.3 743 64 W T E -DF 670 702B 4 -41,-2.5 -41,-3.2 -2,-0.4 2,-0.4 -0.965 14.3-154.4-134.8 152.3 62.1 45.9 3.1 744 65 W V E F 0 701B 44 -75,-0.7 -75,-0.4 -2,-0.3 -43,-0.1 -0.986 360.0 360.0-128.6 144.2 65.1 45.5 0.8 745 66 W E 0 0 114 -45,-0.6 -76,-0.1 -2,-0.4 -1,-0.0 0.005 360.0 360.0 -69.2 360.0 68.5 44.0 1.7