==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 25-FEB-13 4JE0 . COMPND 2 MOLECULE: SER-ASP RICH FIBRINOGEN/BONE SIALOPROTEIN-BINDING . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR X.WANG,J.GE,M.YANG . 624 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31295.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 413 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 236 37.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 79 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 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 RESIDUES PER ALPHA HELIX . 4 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 6 4 2 4 5 3 4 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 2 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 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 K 0 0 162 0, 0.0 47,-3.0 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 -40.3 -0.7 20.2 111.4 2 2 A N B +a 48 0A 78 45,-0.2 3,-0.3 1,-0.1 47,-0.2 -0.741 360.0 179.4 -73.9 113.3 -2.2 18.4 108.4 3 3 A V > + 0 0 7 45,-2.9 3,-2.6 -2,-0.8 4,-0.3 0.017 39.3 122.2-113.2 29.6 -3.9 15.6 110.2 4 4 A N G > S+ 0 0 14 1,-0.3 3,-1.2 44,-0.3 134,-0.5 0.850 76.9 61.4 -54.5 -32.0 -5.5 13.7 107.3 5 5 A D G 3 S+ 0 0 139 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.593 102.2 51.0 -68.8 -12.5 -3.5 10.8 108.7 6 6 A L G < S+ 0 0 52 -3,-2.6 34,-2.1 34,-0.1 2,-0.4 0.307 94.2 86.5-112.0 7.3 -5.3 11.0 112.0 7 7 A I E < -H 39 0B 9 -3,-1.2 2,-0.3 -4,-0.3 131,-0.3 -0.885 51.2-172.9-112.3 147.4 -8.9 10.9 110.6 8 8 A T E -H 38 0B 86 30,-2.0 30,-3.1 -2,-0.4 2,-0.3 -0.940 12.9-174.3-133.4 142.7 -10.9 7.9 109.8 9 9 A S E -H 37 0B 30 -2,-0.3 2,-0.5 28,-0.2 28,-0.2 -0.993 29.7-150.6-147.0 153.5 -14.3 8.0 108.1 10 10 A N E +H 36 0B 134 26,-2.2 26,-2.1 -2,-0.3 2,-0.3 -0.985 38.8 176.7-120.0 118.0 -17.4 6.0 106.9 11 11 A T E -H 35 0B 19 -2,-0.5 2,-0.4 24,-0.2 24,-0.2 -0.896 25.2-163.3-131.8 144.9 -18.8 7.7 103.9 12 12 A T E -H 34 0B 69 22,-2.8 22,-2.3 -2,-0.3 2,-0.5 -0.993 2.0-168.3-124.2 139.7 -21.6 7.4 101.3 13 13 A L E -H 33 0B 11 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.965 19.8-179.2-125.6 112.0 -21.8 9.2 98.0 14 14 A T E -H 32 0B 74 18,-2.2 18,-2.9 -2,-0.5 2,-0.4 -0.937 26.9-135.5-124.7 127.8 -25.2 8.7 96.4 15 15 A V E -H 31 0B 36 -2,-0.4 2,-0.6 16,-0.2 16,-0.2 -0.649 22.9-158.4 -73.1 127.2 -26.7 10.0 93.1 16 16 A V E -H 30 0B 36 14,-2.5 14,-1.6 -2,-0.4 2,-1.4 -0.950 13.1-148.4-112.0 117.4 -30.2 11.3 93.7 17 17 A D > - 0 0 41 -2,-0.6 3,-0.7 1,-0.2 12,-0.1 -0.697 24.9-176.6 -77.0 93.8 -32.6 11.4 90.7 18 18 A A T 3 S+ 0 0 40 -2,-1.4 -1,-0.2 1,-0.2 11,-0.1 0.676 72.4 45.9 -80.1 -21.4 -34.4 14.4 92.1 19 19 A D T 3 S- 0 0 71 4,-0.2 -1,-0.2 -3,-0.1 10,-0.1 0.393 102.7-127.5-100.4 1.2 -37.1 14.9 89.5 20 20 A K < + 0 0 178 -3,-0.7 -2,-0.1 3,-0.1 -3,-0.0 0.685 67.6 127.2 56.1 25.1 -38.0 11.2 89.5 21 21 A N S S- 0 0 66 2,-0.2 -1,-0.1 1,-0.0 -4,-0.1 0.067 76.5-107.0 -70.0-155.5 -37.7 10.8 85.8 22 22 A N S S+ 0 0 140 -3,-0.1 2,-0.3 -2,-0.0 -5,-0.0 0.051 87.8 89.6-125.0 33.7 -35.4 7.8 85.2 23 23 A K - 0 0 85 2,-0.0 2,-0.6 124,-0.0 -2,-0.2 -0.954 66.7-134.1-132.8 145.1 -32.5 9.8 83.9 24 24 A I B +b 147 0A 25 122,-0.7 124,-1.8 -2,-0.3 -7,-0.1 -0.885 32.1 164.4-104.9 118.9 -29.4 11.5 85.5 25 25 A V >> - 0 0 11 -2,-0.6 4,-2.5 122,-0.2 3,-1.3 -1.000 40.3-133.3-138.0 130.4 -28.6 15.0 84.4 26 26 A P T 34 S+ 0 0 18 0, 0.0 92,-0.3 0, 0.0 -1,-0.1 0.823 105.0 56.4 -49.8 -38.1 -26.4 17.6 86.0 27 27 A A T 34 S+ 0 0 66 1,-0.2 35,-0.1 90,-0.1 137,-0.1 0.757 121.5 23.5 -69.9 -25.1 -29.0 20.4 85.6 28 28 A Q T <4 S+ 0 0 112 -3,-1.3 2,-0.2 2,-0.0 -1,-0.2 0.616 117.0 53.8-118.0 -19.1 -31.8 18.5 87.5 29 29 A D < - 0 0 4 -4,-2.5 89,-0.4 -11,-0.1 2,-0.3 -0.591 58.3-169.2-117.3 174.9 -30.1 16.0 89.8 30 30 A Y E -H 16 0B 75 -14,-1.6 -14,-2.5 -2,-0.2 2,-0.4 -0.876 23.1 -99.7-152.9-174.9 -27.4 16.0 92.5 31 31 A L E -HI 15 116B 0 85,-3.5 85,-3.3 -2,-0.3 2,-0.7 -0.963 20.8-148.6-121.7 129.0 -25.1 14.1 94.8 32 32 A A E -HI 14 115B 19 -18,-2.9 -18,-2.2 -2,-0.4 2,-0.5 -0.875 14.4-167.1 -97.7 114.9 -25.7 13.4 98.5 33 33 A L E +HI 13 114B 3 81,-3.2 81,-2.7 -2,-0.7 2,-0.4 -0.900 10.9 173.2-102.6 127.3 -22.5 13.2 100.5 34 34 A K E +HI 12 113B 109 -22,-2.3 -22,-2.8 -2,-0.5 2,-0.3 -0.999 3.6 164.6-134.9 134.9 -22.8 11.7 104.0 35 35 A S E -HI 11 112B 6 77,-2.2 77,-2.4 -2,-0.4 2,-0.5 -0.989 30.2-154.8-153.1 140.1 -20.0 10.9 106.4 36 36 A Q E -HI 10 111B 101 -26,-2.1 -26,-2.2 -2,-0.3 2,-0.4 -0.981 28.3-165.1-108.1 122.8 -19.2 10.1 110.0 37 37 A I E -HI 9 110B 0 73,-3.0 73,-2.6 -2,-0.5 2,-0.4 -0.931 8.6-154.4-117.4 131.5 -15.6 11.1 110.7 38 38 A K E -HI 8 109B 130 -30,-3.1 -30,-2.0 -2,-0.4 2,-0.4 -0.832 8.2-154.3-104.1 143.1 -13.5 10.1 113.7 39 39 A V E -HI 7 108B 8 69,-2.5 69,-0.5 -2,-0.4 -32,-0.2 -0.961 19.3-119.3-123.5 126.0 -10.6 12.2 114.9 40 40 A D > - 0 0 69 -34,-2.1 3,-2.0 -2,-0.4 -34,-0.1 -0.310 23.5-121.6 -63.7 144.7 -7.6 10.8 116.9 41 41 A D T 3 S+ 0 0 87 1,-0.3 -1,-0.1 66,-0.0 64,-0.0 0.777 108.2 71.6 -57.2 -28.0 -7.2 12.3 120.4 42 42 A K T 3 S+ 0 0 150 -36,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.650 74.0 105.7 -65.0 -16.2 -3.7 13.5 119.3 43 43 A V < - 0 0 3 -3,-2.0 2,-0.2 -37,-0.1 3,-0.0 -0.485 55.4-168.3 -69.4 132.9 -5.3 16.1 117.1 44 44 A K > - 0 0 110 -2,-0.2 3,-2.0 1,-0.1 54,-0.2 -0.745 32.6 -70.7-120.9 167.1 -5.0 19.6 118.6 45 45 A S T 3 S+ 0 0 52 1,-0.3 54,-0.2 -2,-0.2 55,-0.1 -0.274 118.8 30.1 -55.5 136.9 -6.5 23.1 118.0 46 46 A G T 3 S+ 0 0 26 52,-2.6 -1,-0.3 1,-0.4 53,-0.1 0.211 89.8 120.9 93.8 -16.5 -5.1 24.6 114.8 47 47 A D < - 0 0 6 -3,-2.0 51,-3.0 52,-0.1 -1,-0.4 -0.401 46.9-160.1 -71.1 160.3 -4.6 21.2 113.1 48 48 A Y E -aC 2 97A 82 -47,-3.0 -45,-2.9 49,-0.2 2,-0.3 -0.975 17.1-162.4-144.0 155.9 -6.6 20.8 109.8 49 49 A F E - C 0 96A 0 47,-2.1 47,-3.0 -2,-0.3 2,-0.3 -0.934 18.0-133.5-132.8 163.3 -7.9 18.1 107.4 50 50 A T E - C 0 95A 21 -2,-0.3 87,-2.5 45,-0.2 2,-0.4 -0.849 9.0-158.7-119.7 152.2 -9.1 18.3 103.9 51 51 A I E -DC 136 94A 2 43,-2.6 43,-2.3 -2,-0.3 2,-0.3 -0.999 21.7-178.9-120.0 125.9 -11.9 17.2 101.7 52 52 A K E -DC 135 93A 71 83,-2.3 83,-3.0 -2,-0.4 2,-0.3 -0.766 5.8-162.0-115.8 169.3 -11.3 17.0 98.0 53 53 A Y E -D 134 0A 13 39,-1.3 81,-0.2 81,-0.3 6,-0.1 -0.987 25.4 -89.6-152.0 156.7 -13.5 16.0 95.0 54 54 A S > - 0 0 17 79,-2.5 3,-2.1 -2,-0.3 78,-0.0 -0.096 38.6-108.3 -65.3 163.5 -13.3 15.0 91.4 55 55 A D T 3 S+ 0 0 52 1,-0.3 67,-0.2 63,-0.0 66,-0.2 0.622 120.8 62.9 -65.8 -12.6 -13.3 17.3 88.4 56 56 A T T 3 S+ 0 0 16 75,-0.2 63,-2.3 65,-0.1 2,-0.4 0.351 97.4 73.2 -89.1 1.2 -16.8 15.9 87.7 57 57 A V E < +J 118 0C 1 -3,-2.1 2,-0.3 61,-0.3 61,-0.2 -0.929 53.9 178.4-119.3 141.5 -18.0 17.4 91.1 58 58 A Q E -J 117 0C 33 59,-2.6 59,-3.0 -2,-0.4 -4,-0.1 -0.960 28.5-135.3-132.3 158.3 -18.7 20.9 92.2 59 59 A V S S+ 0 0 5 -2,-0.3 2,-0.3 57,-0.2 56,-0.1 0.308 86.7 44.6 -99.7 11.2 -20.0 22.1 95.6 60 60 A Y - 0 0 63 1,-0.1 57,-0.1 57,-0.1 56,-0.0 -0.969 62.9-158.0-144.8 156.7 -22.6 24.6 94.3 61 61 A G S S- 0 0 19 2,-0.3 -1,-0.1 -2,-0.3 -2,-0.1 0.645 76.1 -18.5 -98.2-102.7 -25.2 24.4 91.6 62 62 A L S S+ 0 0 77 1,-0.2 105,-2.5 104,-0.1 103,-0.1 0.654 128.5 61.5 -83.8 -19.6 -26.6 27.5 90.0 63 63 A N > - 0 0 23 103,-0.2 3,-2.1 1,-0.1 -2,-0.3 -0.902 60.3-166.2-118.1 105.9 -25.5 29.8 92.8 64 64 A P G > S+ 0 0 40 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.680 89.1 66.9 -62.7 -19.5 -21.8 30.2 93.5 65 65 A E G > S+ 0 0 72 1,-0.2 3,-2.0 2,-0.1 4,-0.1 0.661 78.9 83.7 -71.4 -15.7 -22.6 31.9 96.8 66 66 A D G X + 0 0 54 -3,-2.1 3,-1.7 1,-0.3 4,-0.3 0.494 59.3 90.6 -72.6 1.0 -24.1 28.6 98.0 67 67 A I G X S+ 0 0 46 -3,-1.0 3,-1.4 1,-0.3 -1,-0.3 0.788 75.3 73.3 -59.0 -23.8 -20.6 27.4 99.0 68 68 A K G < S+ 0 0 142 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.780 82.2 67.4 -56.2 -29.9 -21.8 29.1 102.2 69 69 A N G < S+ 0 0 122 -3,-1.7 2,-0.9 1,-0.2 -1,-0.2 0.679 90.1 63.9 -72.1 -20.5 -24.1 26.1 102.8 70 70 A I S < S+ 0 0 8 -3,-1.4 -1,-0.2 -4,-0.3 3,-0.1 -0.877 85.4 139.3-101.3 95.7 -21.1 23.7 103.3 71 71 A G - 0 0 25 -2,-0.9 15,-0.1 1,-0.3 -2,-0.1 -0.069 45.5 -17.2-121.4-149.7 -19.8 25.4 106.5 72 72 A D - 0 0 74 13,-0.1 2,-0.6 1,-0.1 -1,-0.3 -0.289 61.3-120.3 -62.8 145.8 -18.3 24.8 109.9 73 73 A I E -E 83 0A 5 10,-2.4 9,-2.7 -3,-0.1 10,-1.5 -0.801 38.2-171.7 -88.2 123.0 -18.6 21.4 111.4 74 74 A K E -E 81 0A 126 -2,-0.6 37,-0.3 7,-0.3 7,-0.2 -0.868 30.8-115.5-117.9 152.3 -20.6 21.6 114.7 75 75 A D > - 0 0 15 5,-2.9 4,-2.3 -2,-0.3 5,-0.4 -0.759 25.0-152.9 -79.9 117.6 -21.4 19.2 117.5 76 76 A P T 4 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.668 88.1 60.4 -70.7 -16.8 -25.2 18.9 117.3 77 77 A N T 4 S+ 0 0 151 1,-0.1 -2,-0.0 3,-0.1 -3,-0.0 0.869 125.9 10.9 -78.4 -39.5 -25.5 18.1 121.1 78 78 A N T 4 S- 0 0 67 -3,-0.4 -1,-0.1 2,-0.1 -3,-0.0 0.427 95.4-123.2-119.2 -4.6 -23.9 21.3 122.4 79 79 A G < + 0 0 50 -4,-2.3 2,-0.2 1,-0.2 -2,-0.0 0.605 59.1 148.2 73.2 12.9 -23.8 23.5 119.3 80 80 A E - 0 0 70 -5,-0.4 -5,-2.9 1,-0.1 2,-0.5 -0.523 52.4-112.3 -81.9 149.1 -20.0 24.0 119.6 81 81 A T E +E 74 0A 42 -7,-0.2 20,-0.4 -2,-0.2 -7,-0.3 -0.696 30.9 178.6 -83.5 121.3 -17.8 24.4 116.5 82 82 A I E S+ 0 0 1 -9,-2.7 17,-2.6 -2,-0.5 2,-0.3 0.895 70.8 1.8 -86.9 -48.1 -15.4 21.5 116.0 83 83 A A E -EF 73 98A 0 -10,-1.5 -10,-2.4 15,-0.3 2,-0.4 -0.998 67.0-131.9-141.8 142.6 -13.8 22.7 112.8 84 84 A T E - 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