==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 17-DEC-12 4IGB . COMPND 2 MOLECULE: LPXTG CELL WALL SURFACE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS GORDONII; . AUTHOR A.NYLANDER,G.SVENSATER,D.B.SENADHEERA,D.G.CVITKOVITCH,J.R.DA . 1710 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 67343.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1225 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 689 40.3 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 31 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 243 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.6 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 5 2 5 0 4 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 . 12 2 2 0 6 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 . 16 15 4 26 22 4 12 6 2 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 6 1 3 8 0 0 0 0 0 0 2 0 0 2 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 -6 A L > 0 0 84 0, 0.0 3,-1.4 0, 0.0 872,-0.0 0.000 360.0 360.0 360.0 152.3 43.3 22.0 35.3 2 -5 A Y T 3 + 0 0 41 1,-0.3 3,-0.4 2,-0.1 869,-0.0 0.774 360.0 42.3 -55.3 -32.9 39.6 22.8 35.3 3 -4 A F T 3 S+ 0 0 50 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.385 109.6 56.3-101.3 0.2 39.2 22.1 31.6 4 -3 A Q S < S+ 0 0 45 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.1 -0.275 71.1 105.6-125.3 47.9 41.3 19.0 31.3 5 -2 A G > + 0 0 18 -3,-0.4 3,-1.4 3,-0.1 -1,-0.1 0.090 42.0 169.5-112.7 22.7 39.7 16.7 33.9 6 -1 A A T 3 S- 0 0 77 1,-0.3 2,-1.3 -3,-0.1 3,-0.1 -0.057 78.0 -1.3 -37.1 131.0 37.9 14.3 31.5 7 0 A M T 3 S+ 0 0 133 1,-0.2 -1,-0.3 861,-0.0 3,-0.1 -0.171 104.9 123.3 75.0 -40.5 36.6 11.4 33.7 8 36 A A S < S- 0 0 9 -3,-1.4 862,-0.2 -2,-1.3 -1,-0.2 -0.184 70.4-111.7 -58.5 136.3 38.1 12.9 36.9 9 37 A L E -a 870 0A 4 860,-1.6 862,-2.8 203,-0.1 2,-0.6 -0.462 32.4-142.2 -60.1 136.8 35.9 13.6 39.9 10 38 A E E -ab 871 217A 18 206,-1.8 208,-2.6 860,-0.2 2,-0.5 -0.931 17.8-173.2-110.9 115.2 35.7 17.4 40.3 11 39 A E E -ab 872 218A 0 860,-3.3 862,-3.5 -2,-0.6 2,-0.4 -0.938 6.8-172.7-109.7 130.4 35.7 18.8 43.9 12 40 A I E -ab 873 219A 5 206,-3.2 208,-2.9 -2,-0.5 2,-0.4 -0.946 17.5-179.1-124.9 135.3 35.1 22.4 44.4 13 41 A K E +ab 874 220A 10 860,-2.4 862,-2.0 -2,-0.4 208,-0.2 -0.934 35.7 125.3-130.2 115.1 35.3 24.7 47.4 14 42 A N E S- b 0 221A 40 206,-2.0 208,-2.1 -2,-0.4 209,-0.2 -0.742 71.1 -73.9-150.8-168.9 34.4 28.3 46.7 15 43 A G S S+ 0 0 54 206,-0.2 206,-0.1 -2,-0.2 208,-0.0 0.460 74.0 133.0 -83.6 -2.0 32.1 31.2 47.6 16 44 A T - 0 0 30 204,-0.2 2,-0.9 1,-0.1 -2,-0.2 -0.243 60.2-126.5 -53.8 132.0 29.0 29.9 46.0 17 45 A D > - 0 0 40 1,-0.2 3,-1.3 301,-0.1 -1,-0.1 -0.723 21.5-168.5 -85.0 106.2 26.0 30.2 48.4 18 46 A I G > S+ 0 0 1 -2,-0.9 3,-1.2 1,-0.3 -1,-0.2 0.827 83.1 62.5 -69.6 -28.4 24.6 26.7 48.5 19 47 A S G 3 S+ 0 0 36 1,-0.3 -1,-0.3 228,-0.2 228,-0.1 0.692 104.6 48.6 -69.1 -19.2 21.5 28.0 50.3 20 48 A T G < S+ 0 0 64 -3,-1.3 -1,-0.3 298,-0.1 -2,-0.2 -0.021 76.3 137.2-113.2 32.3 20.6 30.1 47.3 21 49 A L < - 0 0 27 -3,-1.2 298,-0.2 1,-0.1 299,-0.1 -0.441 48.4-145.0 -70.1 152.1 20.9 27.7 44.4 22 50 A D + 0 0 81 297,-2.6 -1,-0.1 299,-0.1 297,-0.1 -0.173 49.5 139.8-108.6 35.0 18.2 27.7 41.8 23 51 A I - 0 0 21 1,-0.1 2,-0.6 260,-0.1 260,-0.2 -0.335 60.2 -96.2 -78.6 164.4 18.2 24.0 41.1 24 52 A R E -C 282 0A 77 258,-2.6 258,-1.5 296,-0.2 2,-0.6 -0.713 30.7-157.4 -86.5 121.6 15.0 22.0 40.6 25 53 A K E -C 281 0A 56 -2,-0.6 256,-0.2 256,-0.2 118,-0.0 -0.867 21.3-130.2 -96.0 124.4 13.7 20.2 43.6 26 54 A F - 0 0 0 254,-2.8 2,-1.0 -2,-0.6 254,-0.3 -0.337 23.0-102.0 -73.3 155.4 11.5 17.3 42.6 27 55 A N + 0 0 72 65,-3.1 2,-0.4 252,-0.1 -1,-0.1 -0.696 52.2 161.1 -79.9 104.5 8.0 16.8 44.0 28 56 A L + 0 0 0 -2,-1.0 2,-0.3 64,-0.1 116,-0.0 -0.985 15.2 133.2-125.0 120.9 8.3 14.0 46.6 29 57 A N >> - 0 0 36 -2,-0.4 3,-1.2 114,-0.2 4,-1.0 -0.952 67.8 -86.8-158.7 174.5 5.5 13.6 49.2 30 58 A I T 34 S+ 0 0 32 -2,-0.3 34,-0.1 1,-0.2 106,-0.0 0.631 119.3 57.7 -64.1 -14.4 3.1 11.4 51.0 31 59 A N T 34 S+ 0 0 143 1,-0.1 -1,-0.2 3,-0.0 -3,-0.0 0.641 111.4 35.5 -97.8 -13.1 0.6 11.7 48.2 32 60 A N T <4 S+ 0 0 27 -3,-1.2 58,-2.6 2,-0.0 2,-0.2 0.367 95.2 102.7-114.7 4.0 2.7 10.5 45.3 33 61 A V E < -M 89 0B 32 -4,-1.0 2,-0.3 56,-0.2 56,-0.2 -0.574 45.3-177.9 -82.8 145.8 4.7 7.8 47.1 34 62 A S E -M 88 0B 46 54,-2.4 54,-2.5 -2,-0.2 2,-0.7 -0.979 28.8-122.9-135.1 152.2 3.8 4.1 46.8 35 63 A V E -M 87 0B 48 -2,-0.3 52,-0.2 52,-0.2 3,-0.2 -0.862 21.3-174.1 -93.2 113.3 5.4 1.2 48.5 36 64 A L E S- 0 0 30 50,-2.5 2,-0.3 -2,-0.7 51,-0.2 0.895 73.9 -19.3 -73.3 -42.9 6.7 -1.3 45.8 37 65 A S E -M 86 0B 9 49,-1.6 49,-2.9 -3,-0.1 -1,-0.4 -0.974 60.7-176.7-156.9 154.6 7.6 -3.7 48.5 38 66 A K E -M 85 0B 89 -2,-0.3 47,-0.2 47,-0.2 2,-0.1 -0.976 25.7-123.4-148.3 144.9 8.3 -3.8 52.2 39 67 A S > - 0 0 10 45,-1.9 3,-1.9 -2,-0.3 573,-0.2 -0.424 34.7-105.4 -79.9 163.3 9.4 -6.6 54.5 40 68 A Q T 3 S+ 0 0 111 571,-1.7 573,-0.1 1,-0.3 572,-0.1 0.550 113.9 75.3 -67.6 -7.5 7.4 -7.6 57.5 41 69 A S T 3 S+ 0 0 12 28,-0.1 29,-3.4 43,-0.1 2,-0.4 0.673 79.2 91.4 -74.7 -18.9 10.0 -5.9 59.7 42 70 A V E < -B 69 0C 6 -3,-1.9 2,-0.7 27,-0.2 27,-0.2 -0.677 59.3-162.9 -88.8 128.9 8.6 -2.5 58.6 43 71 A D E -B 68 0C 32 25,-3.9 25,-2.9 -2,-0.4 2,-0.4 -0.940 16.0-173.9-107.3 108.7 5.9 -0.8 60.7 44 72 A Q E +B 67 0C 54 -2,-0.7 2,-0.3 23,-0.2 23,-0.2 -0.878 10.5 158.7-109.2 135.6 4.4 1.9 58.5 45 73 A F E -B 66 0C 13 21,-2.5 21,-3.1 -2,-0.4 2,-0.3 -0.996 35.8-117.3-156.2 151.1 1.8 4.4 59.8 46 74 A H E -B 65 0C 81 -2,-0.3 2,-0.3 19,-0.2 19,-0.2 -0.622 28.0-171.7 -85.1 141.7 0.3 7.8 59.1 47 75 A L E -B 64 0C 2 17,-2.7 17,-2.4 -2,-0.3 2,-0.5 -0.978 11.8-154.6-128.8 147.0 0.6 10.6 61.6 48 76 A S E S-B 63 0C 58 -2,-0.3 15,-0.2 15,-0.2 12,-0.0 -0.994 81.7 -14.2-119.7 128.6 -1.1 14.1 61.7 49 77 A N S S- 0 0 84 13,-3.2 -1,-0.2 -2,-0.5 14,-0.1 0.951 93.5-156.8 46.1 63.7 0.7 16.9 63.5 50 78 A P - 0 0 1 0, 0.0 10,-2.7 0, 0.0 2,-0.4 -0.164 13.4-111.8 -72.3 164.2 3.0 14.4 65.2 51 79 A H E -GH 59 153D 53 102,-3.0 102,-2.1 8,-0.2 2,-0.5 -0.791 33.1-118.3 -92.6 138.7 5.0 14.9 68.4 52 80 A Y E S- H 0 152D 71 6,-2.7 2,-2.7 -2,-0.4 6,-0.2 -0.670 73.6 -34.9 -84.9 119.8 8.7 15.1 68.1 53 81 A E S S+ 0 0 38 98,-2.9 2,-0.3 -2,-0.5 -1,-0.1 -0.228 130.7 38.0 74.8 -53.1 10.8 12.4 69.9 54 82 A Y S > S- 0 0 92 -2,-2.7 3,-1.2 4,-0.1 99,-0.2 -0.927 79.6-121.6-128.6 153.4 8.5 12.0 72.9 55 83 A L T 3 S+ 0 0 58 -2,-0.3 -1,-0.1 1,-0.3 100,-0.1 0.892 120.0 48.6 -58.2 -38.4 4.7 12.0 73.3 56 84 A S T 3 S+ 0 0 118 -5,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.539 97.3 105.4 -79.2 -4.9 5.1 14.9 75.7 57 85 A G S < S- 0 0 21 -3,-1.2 -4,-0.1 1,-0.2 0, 0.0 -0.054 87.5 -68.0 -67.8 172.6 7.3 16.6 73.1 58 86 A G - 0 0 43 -6,-0.2 -6,-2.7 -7,-0.1 2,-0.4 -0.271 47.8-131.3 -60.3 148.3 6.4 19.5 70.9 59 87 A A B -G 51 0D 57 -8,-0.2 -8,-0.2 -3,-0.1 -1,-0.1 -0.891 18.7-157.0-102.7 136.4 3.7 18.9 68.3 60 88 A Y - 0 0 96 -10,-2.7 2,-0.1 -2,-0.4 79,-0.1 -0.950 19.5-115.0-120.0 133.4 4.4 20.0 64.7 61 89 A P + 0 0 106 0, 0.0 2,-0.2 0, 0.0 -13,-0.0 -0.398 66.7 74.1 -67.2 133.2 1.7 20.7 62.1 62 90 A G S S- 0 0 24 -2,-0.1 -13,-3.2 75,-0.1 2,-0.3 -0.538 74.3 -88.7 145.9 156.3 1.6 18.5 59.1 63 91 A E E -B 48 0C 78 -15,-0.2 75,-0.7 -2,-0.2 2,-0.3 -0.678 45.9-179.0 -85.3 147.2 0.7 15.1 57.6 64 92 A M E -BC 47 137C 0 -17,-2.4 -17,-2.7 -2,-0.3 2,-0.6 -0.996 28.4-146.6-147.2 144.8 3.5 12.5 57.7 65 93 A E E -BC 46 136C 28 71,-2.7 71,-2.4 -2,-0.3 2,-0.3 -0.980 30.5-161.8-111.9 117.9 4.0 8.9 56.7 66 94 A N E -BC 45 135C 0 -21,-3.1 -21,-2.5 -2,-0.6 2,-0.4 -0.783 9.3-161.0-109.5 142.3 6.3 7.3 59.3 67 95 A F E +BC 44 134C 1 67,-2.9 67,-1.8 -2,-0.3 66,-1.7 -0.977 12.8 171.8-128.3 127.0 8.3 4.1 59.0 68 96 A T E -BC 43 132C 0 -25,-2.9 -25,-3.9 -2,-0.4 2,-0.5 -0.861 26.8-124.5-126.7 162.7 9.8 2.0 61.8 69 97 A L E -BC 42 131C 0 62,-2.3 62,-1.9 -2,-0.3 2,-0.5 -0.934 19.2-130.8-111.5 124.9 11.5 -1.4 62.2 70 98 A K E - C 0 130C 104 -29,-3.4 60,-0.2 -2,-0.5 2,-0.2 -0.613 31.1-155.6 -68.1 118.9 10.3 -4.1 64.5 71 99 A V - 0 0 16 58,-1.8 2,-1.0 -2,-0.5 3,-0.0 -0.605 23.8-111.1 -94.8 158.8 13.3 -5.3 66.5 72 100 A D > - 0 0 71 -2,-0.2 3,-1.6 1,-0.2 51,-0.0 -0.799 30.7-158.1 -83.0 104.7 13.8 -8.6 68.1 73 101 A K T 3 S+ 0 0 61 -2,-1.0 -1,-0.2 1,-0.3 3,-0.0 0.650 85.8 61.2 -65.7 -13.6 13.6 -7.4 71.8 74 102 A S T 3 S+ 0 0 71 1,-0.2 2,-1.2 -3,-0.0 -1,-0.3 0.734 89.0 78.2 -81.5 -22.4 15.6 -10.4 73.0 75 103 A K < - 0 0 90 -3,-1.6 2,-2.2 2,-0.1 -1,-0.2 -0.700 57.9-174.4 -94.6 91.4 18.7 -9.5 71.0 76 104 A K + 0 0 65 -2,-1.2 2,-0.3 37,-0.0 -3,-0.1 -0.546 61.5 76.9 -83.5 75.7 20.5 -6.7 72.8 77 105 A Q S S- 0 0 85 -2,-2.2 37,-0.1 34,-0.1 -2,-0.1 -0.959 96.1 -48.4-171.9 166.1 22.9 -6.4 69.9 78 106 A D - 0 0 82 -2,-0.3 2,-0.4 35,-0.2 34,-0.2 -0.164 51.7-159.2 -51.8 136.4 23.2 -5.1 66.3 79 107 A Q E - N 0 111B 22 32,-2.4 32,-3.4 2,-0.0 2,-0.5 -0.989 1.2-152.3-125.1 134.1 20.2 -6.0 64.1 80 108 A V E - N 0 110B 35 -2,-0.4 2,-0.6 30,-0.2 30,-0.2 -0.884 5.5-165.8-110.6 128.0 20.4 -6.0 60.3 81 109 A F E - 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