==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-DEC-08 3FOJ . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS SAPROPHYTICUS SUBSP. . AUTHOR J.SEETHARAMAN,M.ABASHIDZE,H.WANG,H.JANJUA,E.L.FOOTE,R.XIAO, . 100 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6183.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 2.0 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 . 0 0.0 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 . 8 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 X 0 0 137 0, 0.0 2,-0.3 0, 0.0 83,-0.1 0.000 360.0 360.0 360.0 144.2 7.2 13.4 10.5 2 2 A E + 0 0 113 81,-0.5 83,-2.6 68,-0.1 2,-0.3 -0.722 360.0 171.0 -97.4 148.4 7.7 12.8 14.2 3 3 A S E -a 85 0A 44 -2,-0.3 2,-0.3 81,-0.2 83,-0.2 -0.989 16.8-165.5-153.6 157.7 5.3 14.0 16.8 4 4 A I E -a 86 0A 17 81,-2.4 83,-2.6 -2,-0.3 2,-0.1 -0.952 27.3-111.1-140.7 157.6 4.5 13.7 20.5 5 5 A T > - 0 0 45 -2,-0.3 4,-2.3 81,-0.2 5,-0.1 -0.394 28.5-111.7 -86.4 167.4 1.4 14.6 22.5 6 6 A V H > S+ 0 0 11 81,-0.4 4,-2.4 1,-0.2 5,-0.2 0.843 120.2 56.0 -67.2 -31.2 1.2 17.5 25.1 7 7 A T H > S+ 0 0 90 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.914 109.2 46.2 -65.5 -41.6 0.9 14.9 27.8 8 8 A E H > S+ 0 0 93 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.881 111.0 53.1 -66.8 -39.3 4.1 13.3 26.6 9 9 A L H >< S+ 0 0 7 -4,-2.3 3,-0.6 1,-0.2 4,-0.4 0.910 108.3 49.3 -63.7 -42.7 5.8 16.7 26.4 10 10 A K H >< S+ 0 0 86 -4,-2.4 3,-1.8 1,-0.2 4,-0.3 0.895 106.0 55.9 -64.8 -39.5 4.8 17.6 30.0 11 11 A E H >< S+ 0 0 121 -4,-1.8 3,-1.4 1,-0.3 -1,-0.2 0.730 92.2 73.2 -65.2 -19.3 6.2 14.3 31.3 12 12 A K G X< S+ 0 0 66 -4,-0.8 3,-1.8 -3,-0.6 -1,-0.3 0.733 80.8 72.1 -65.5 -21.9 9.5 15.3 29.7 13 13 A I G < S+ 0 0 131 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.815 91.7 58.4 -61.4 -29.7 9.9 17.8 32.5 14 14 A L G < S+ 0 0 150 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.391 90.1 98.2 -82.4 2.8 10.5 14.8 34.8 15 15 A D S < S- 0 0 87 -3,-1.8 4,-0.0 2,-0.1 -3,-0.0 -0.389 90.2 -97.2 -87.9 169.9 13.5 13.7 32.7 16 16 A A S S+ 0 0 97 -2,-0.1 -1,-0.1 1,-0.1 -3,-0.0 0.905 102.9 24.4 -50.2 -56.2 17.2 14.3 33.3 17 17 A N S S- 0 0 126 -5,-0.0 -2,-0.1 1,-0.0 2,-0.1 -0.866 86.6-104.7-118.3 151.1 17.7 17.3 31.1 18 18 A P - 0 0 118 0, 0.0 2,-0.2 0, 0.0 -5,-0.1 -0.423 37.4-125.5 -70.9 144.2 15.3 20.0 29.7 19 19 A V - 0 0 48 -10,-0.1 2,-0.6 -2,-0.1 40,-0.1 -0.517 23.6-102.9 -89.1 159.3 14.2 19.6 26.0 20 20 A N E -b 59 0A 50 38,-0.6 40,-3.1 -2,-0.2 2,-0.4 -0.727 41.7-174.5 -83.3 118.7 14.6 22.3 23.4 21 21 A I E -b 60 0A 15 -2,-0.6 18,-2.5 16,-0.4 2,-0.5 -0.951 10.9-165.3-118.1 135.4 11.2 23.9 22.7 22 22 A V E -bc 61 39A 0 38,-2.7 40,-2.5 -2,-0.4 2,-0.7 -0.980 7.0-156.6-123.5 116.9 10.5 26.5 20.0 23 23 A D E -bc 62 40A 1 16,-2.8 18,-1.9 -2,-0.5 40,-0.2 -0.842 9.7-176.2 -92.6 113.8 7.2 28.4 20.2 24 24 A V + 0 0 7 38,-2.5 19,-2.2 -2,-0.7 20,-0.2 0.198 41.5 115.4-100.7 17.2 6.3 29.7 16.6 25 25 A R S S- 0 0 28 37,-0.3 2,-0.1 17,-0.2 -2,-0.0 -0.172 73.2 -87.5 -74.6 176.0 3.2 31.7 17.5 26 26 A T >> - 0 0 78 16,-0.1 4,-2.2 1,-0.1 3,-0.7 -0.427 41.3 -98.4 -85.3 164.0 3.1 35.5 17.0 27 27 A D H 3> S+ 0 0 124 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.863 119.6 49.1 -45.8 -55.5 4.2 38.1 19.6 28 28 A Q H 34 S+ 0 0 134 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.822 112.2 51.7 -60.6 -29.9 0.8 39.0 21.0 29 29 A E H X4 S+ 0 0 48 -3,-0.7 3,-1.5 1,-0.2 -1,-0.2 0.927 110.2 45.4 -72.2 -45.8 0.1 35.3 21.4 30 30 A T H >< S+ 0 0 24 -4,-2.2 3,-1.9 1,-0.3 -2,-0.2 0.766 100.7 71.6 -68.7 -22.0 3.3 34.5 23.3 31 31 A A T 3< S+ 0 0 45 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.715 89.3 61.7 -64.5 -20.4 2.6 37.6 25.4 32 32 A X T < S- 0 0 120 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.508 127.7 -62.6 -83.9 -4.3 -0.2 35.6 27.0 33 33 A G < - 0 0 1 -3,-1.9 2,-0.3 -4,-0.1 -1,-0.3 -0.181 48.0-144.2 130.0 138.1 2.3 33.1 28.3 34 34 A I B -E 99 0B 31 65,-1.9 65,-3.1 -3,-0.1 3,-0.1 -0.843 35.1 -90.4-127.1 163.5 4.9 30.6 27.2 35 35 A I > - 0 0 12 -2,-0.3 3,-2.3 63,-0.2 63,-0.1 -0.553 60.8 -96.0 -69.5 131.5 6.1 27.2 28.3 36 36 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 62,-0.0 -0.250 109.9 17.3 -52.2 132.6 9.1 27.8 30.7 37 37 A G T 3 S+ 0 0 73 1,-0.3 -16,-0.4 -3,-0.1 2,-0.1 0.318 91.2 140.3 88.9 -8.1 12.3 27.6 28.8 38 38 A A < - 0 0 12 -3,-2.3 2,-0.4 -18,-0.1 -1,-0.3 -0.402 47.2-136.8 -73.7 144.8 10.8 28.0 25.3 39 39 A E E -c 22 0A 83 -18,-2.5 -16,-2.8 -2,-0.1 2,-0.7 -0.841 18.1-139.4 -97.5 135.0 12.5 30.0 22.6 40 40 A T E +c 23 0A 66 -2,-0.4 -16,-0.2 -18,-0.2 -18,-0.1 -0.862 34.5 154.9-103.1 115.3 10.1 32.2 20.6 41 41 A I - 0 0 13 -18,-1.9 5,-0.1 -2,-0.7 -2,-0.1 -0.898 41.0-126.3-137.8 106.8 10.7 32.5 16.8 42 42 A P >> - 0 0 54 0, 0.0 3,-1.7 0, 0.0 4,-0.6 -0.183 21.2-118.3 -53.2 141.2 7.6 33.3 14.7 43 43 A X G >4 S+ 0 0 78 -19,-2.2 3,-1.6 1,-0.3 -18,-0.1 0.871 112.8 58.6 -47.7 -46.1 6.8 30.9 11.9 44 44 A N G 34 S+ 0 0 148 1,-0.3 -1,-0.3 -20,-0.2 4,-0.1 0.781 108.3 46.6 -57.2 -28.4 7.2 33.6 9.3 45 45 A S G X4 S+ 0 0 30 -3,-1.7 3,-0.9 1,-0.2 4,-0.4 0.459 82.5 97.0 -94.9 -2.3 10.8 34.2 10.5 46 46 A I G X< S+ 0 0 2 -3,-1.6 3,-1.8 -4,-0.6 -1,-0.2 0.898 78.4 57.6 -54.9 -44.2 11.9 30.5 10.7 47 47 A P G 3 S+ 0 0 61 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.807 109.4 45.8 -58.3 -28.5 13.5 30.6 7.2 48 48 A D G < S+ 0 0 147 -3,-0.9 -2,-0.2 1,-0.2 3,-0.1 0.387 109.7 56.2 -94.6 3.6 15.8 33.4 8.3 49 49 A N X + 0 0 64 -3,-1.8 3,-1.6 -4,-0.4 4,-0.4 0.021 61.1 119.3-124.3 29.2 16.7 31.8 11.6 50 50 A L G > + 0 0 52 -3,-0.5 3,-1.0 1,-0.3 -1,-0.1 0.785 68.0 69.2 -64.4 -26.1 18.1 28.4 10.6 51 51 A N G 3 S+ 0 0 165 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.652 86.6 68.9 -67.7 -13.9 21.4 29.3 12.3 52 52 A Y G < S+ 0 0 87 -3,-1.6 2,-0.4 2,-0.1 -1,-0.2 0.855 84.2 85.1 -70.4 -35.0 19.7 29.1 15.7 53 53 A F S < S- 0 0 10 -3,-1.0 2,-0.5 -4,-0.4 6,-0.0 -0.581 72.9-142.6 -79.5 121.5 19.3 25.3 15.3 54 54 A N > - 0 0 78 -2,-0.4 3,-2.0 1,-0.1 28,-0.3 -0.708 9.3-144.5 -81.6 120.9 22.1 23.1 16.4 55 55 A D T 3 S+ 0 0 109 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.660 97.8 58.8 -61.7 -16.0 22.4 20.1 14.0 56 56 A N T 3 S+ 0 0 154 2,-0.0 -1,-0.3 25,-0.0 2,-0.2 0.477 103.2 64.1 -92.4 -2.6 23.4 17.8 16.8 57 57 A E S < S- 0 0 75 -3,-2.0 25,-0.7 25,-0.0 2,-0.4 -0.647 74.6-123.9-117.9 173.4 20.2 18.5 18.8 58 58 A T E - d 0 82A 58 -2,-0.2 -38,-0.6 23,-0.1 2,-0.4 -0.929 18.8-154.3-119.8 143.0 16.4 18.0 18.5 59 59 A Y E -bd 20 83A 9 23,-2.5 25,-2.5 -2,-0.4 2,-0.6 -0.963 7.8-146.6-124.0 133.5 13.8 20.6 18.7 60 60 A Y E -bd 21 84A 33 -40,-3.1 -38,-2.7 -2,-0.4 2,-0.5 -0.853 21.5-152.1 -97.0 122.7 10.1 20.3 19.8 61 61 A I E +bd 22 85A 0 23,-2.7 25,-1.9 -2,-0.6 2,-0.4 -0.830 16.1 178.6-103.4 130.5 7.9 22.8 17.8 62 62 A I E +b 23 0A 0 -40,-2.5 -38,-2.5 -2,-0.5 -37,-0.3 -0.975 7.0 162.5-133.5 143.8 4.7 24.2 19.2 63 63 A C - 0 0 2 -2,-0.4 27,-3.0 23,-0.3 28,-0.2 -0.589 56.0 -74.6-135.2-163.1 2.1 26.7 17.9 64 64 A K S S+ 0 0 101 25,-0.3 27,-2.3 -2,-0.2 28,-0.3 0.958 120.8 6.3 -68.0 -50.6 -1.5 27.6 18.7 65 65 A A S S- 0 0 58 24,-0.2 23,-0.3 25,-0.2 -1,-0.1 0.532 96.8-108.4-115.4 -8.4 -3.3 24.5 17.2 66 66 A G S > S+ 0 0 9 22,-0.2 4,-0.9 21,-0.2 23,-0.1 0.160 97.4 85.8 104.3 -22.3 -0.7 22.0 16.0 67 67 A G H > S+ 0 0 46 2,-0.2 4,-1.5 1,-0.1 3,-0.2 0.945 90.0 45.2 -78.5 -50.9 -1.0 22.4 12.2 68 68 A R H > S+ 0 0 134 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.843 111.0 55.2 -61.6 -35.8 1.4 25.3 11.6 69 69 A S H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.880 104.7 53.6 -65.8 -36.1 4.0 23.7 13.9 70 70 A A H X S+ 0 0 17 -4,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.868 106.5 52.8 -65.1 -35.8 3.8 20.5 11.8 71 71 A Q H X S+ 0 0 113 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.916 109.7 48.5 -64.0 -43.7 4.5 22.7 8.7 72 72 A V H X S+ 0 0 5 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.881 108.3 54.6 -64.0 -39.4 7.6 24.1 10.5 73 73 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.939 109.2 47.0 -61.0 -46.9 8.8 20.6 11.4 74 74 A Q H X S+ 0 0 105 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.918 113.2 49.5 -60.7 -43.2 8.7 19.5 7.8 75 75 A Y H < S+ 0 0 80 -4,-2.2 4,-0.2 2,-0.2 -2,-0.2 0.938 112.3 47.5 -61.1 -47.5 10.5 22.6 6.7 76 76 A L H ><>S+ 0 0 0 -4,-3.0 5,-2.5 1,-0.2 3,-1.8 0.935 111.1 50.1 -60.8 -47.3 13.1 22.2 9.4 77 77 A E H ><5S+ 0 0 75 -4,-2.9 3,-1.6 1,-0.3 -1,-0.2 0.874 106.8 55.5 -60.0 -36.8 13.7 18.5 8.6 78 78 A Q T 3<5S+ 0 0 151 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.483 108.0 51.1 -75.3 -1.0 14.1 19.4 4.9 79 79 A N T < 5S- 0 0 74 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.079 128.3 -94.8-119.9 19.4 16.8 21.8 5.9 80 80 A G T < 5S+ 0 0 50 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.602 82.4 130.6 80.8 13.5 18.8 19.2 8.0 81 81 A V < - 0 0 4 -5,-2.5 2,-0.8 -6,-0.2 -1,-0.3 -0.772 57.9-126.7-102.3 144.5 17.3 20.0 11.4 82 82 A N E + d 0 58A 62 -25,-0.7 -23,-2.5 -2,-0.3 2,-0.3 -0.802 43.3 165.4 -90.2 113.2 15.9 17.4 13.8 83 83 A A E - d 0 59A 1 -2,-0.8 -81,-0.5 -25,-0.2 2,-0.4 -0.963 24.8-163.3-134.6 150.1 12.4 18.5 14.8 84 84 A V E - d 0 60A 4 -25,-2.5 -23,-2.7 -2,-0.3 2,-0.3 -0.995 21.4-128.8-131.6 133.4 9.3 17.0 16.4 85 85 A N E -ad 3 61A 7 -83,-2.6 -81,-2.4 -2,-0.4 2,-0.8 -0.587 10.9-138.9 -83.9 141.5 5.8 18.3 16.3 86 86 A V E > -a 4 0A 0 -25,-1.9 3,-1.3 -2,-0.3 -23,-0.3 -0.876 29.2-131.9 -99.9 105.2 3.8 18.9 19.5 87 87 A E T 3 S+ 0 0 84 -83,-2.6 -81,-0.4 -2,-0.8 -21,-0.2 -0.232 81.8 15.6 -59.7 140.2 0.3 17.7 18.6 88 88 A G T 3> S- 0 0 13 -23,-0.3 4,-1.0 -83,-0.1 3,-0.4 0.155 97.6-134.0 86.7 -22.2 -2.7 19.9 19.5 89 89 A G H X> - 0 0 0 -3,-1.3 4,-1.9 1,-0.2 3,-0.7 -0.055 51.5 -39.0 68.4-170.2 -0.6 23.0 20.1 90 90 A X H 3> S+ 0 0 11 -27,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.729 130.9 71.2 -63.4 -21.7 -0.9 25.4 23.0 91 91 A D H 34 S+ 0 0 99 -27,-2.3 -1,-0.2 -3,-0.4 -2,-0.2 0.950 109.3 32.3 -58.4 -48.1 -4.6 25.0 22.9 92 92 A E H << S+ 0 0 126 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.776 111.3 63.5 -80.5 -27.5 -4.2 21.5 24.2 93 93 A F H < S- 0 0 13 -4,-1.9 3,-0.2 1,-0.1 -2,-0.2 0.900 101.9-144.9 -63.0 -38.3 -1.2 22.3 26.4 94 94 A G < - 0 0 22 -4,-2.1 -1,-0.1 -5,-0.1 -2,-0.1 -0.282 18.4 -85.0 99.7 174.3 -3.4 24.6 28.4 95 95 A D S S+ 0 0 133 -4,-0.1 3,-0.5 -2,-0.1 2,-0.3 0.224 87.1 110.4-105.3 11.4 -2.9 28.0 30.2 96 96 A E S S+ 0 0 164 -3,-0.2 0, 0.0 1,-0.2 0, 0.0 -0.711 79.6 6.2 -93.6 138.5 -1.6 26.5 33.4 97 97 A G S S+ 0 0 68 -2,-0.3 -1,-0.2 1,-0.2 2,-0.2 0.792 87.5 147.3 66.9 32.5 1.9 26.9 34.7 98 98 A L - 0 0 19 -3,-0.5 2,-0.5 -63,-0.1 -63,-0.2 -0.580 52.3-110.7 -97.4 160.9 3.1 29.3 31.9 99 99 A E B E 34 0B 98 -65,-3.1 -65,-1.9 -2,-0.2 -1,-0.0 -0.797 360.0 360.0 -91.1 127.5 5.7 32.1 32.2 100 100 A H 0 0 201 -2,-0.5 -68,-0.1 -67,-0.2 -69,-0.1 -0.615 360.0 360.0-103.9 360.0 4.1 35.5 31.9