==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 08-AUG-12 4B5Z . COMPND 2 MOLECULE: FIBRONECTIN-BINDING PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS NC . AUTHOR V.STEMBERK,O.MOROZ,K.E.ATKIN,J.P.TURKENBURG,J.R.POTTS . 310 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15836.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 126 40.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 27 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 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 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 1 2 4 0 1 3 0 3 2 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 . 1 1 0 1 0 1 0 1 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 1 194 A G 0 0 84 0, 0.0 2,-0.2 0, 0.0 47,-0.2 0.000 360.0 360.0 360.0-170.1 39.3 46.3 35.3 2 195 A T - 0 0 92 43,-0.1 47,-1.9 1,-0.0 2,-0.7 -0.653 360.0 -95.9-114.4 165.0 42.5 46.4 33.3 3 196 A D B +a 49 0A 80 -2,-0.2 3,-0.3 45,-0.2 47,-0.2 -0.602 37.0 173.1 -74.3 107.6 43.9 45.4 29.9 4 197 A V > + 0 0 7 45,-2.6 3,-2.4 -2,-0.7 37,-0.2 0.031 36.4 124.4-105.7 27.2 45.5 42.0 30.3 5 198 A T G > + 0 0 21 44,-0.4 3,-1.8 1,-0.3 -1,-0.2 0.863 70.0 59.9 -50.8 -40.0 46.2 41.6 26.5 6 199 A S G 3 S+ 0 0 84 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.595 98.7 60.4 -70.1 -7.8 49.9 41.1 27.3 7 200 A K G < S+ 0 0 66 -3,-2.4 34,-1.8 34,-0.1 2,-0.5 0.393 86.6 90.0 -98.5 5.3 48.9 38.0 29.4 8 201 A V E < -I 40 0B 1 -3,-1.8 2,-0.4 32,-0.2 32,-0.2 -0.888 56.1-166.9-109.5 129.5 47.3 36.1 26.6 9 202 A T E -I 39 0B 80 30,-2.4 30,-2.6 -2,-0.5 2,-0.6 -0.919 19.0-135.1-115.5 136.7 49.2 33.7 24.4 10 203 A V E +I 38 0B 20 -2,-0.4 28,-0.2 121,-0.2 3,-0.2 -0.827 25.7 174.0 -88.1 118.7 48.1 32.2 21.1 11 204 A E E S+ 0 0 101 26,-3.4 2,-0.4 -2,-0.6 -1,-0.2 0.817 75.5 10.1 -92.0 -41.8 49.0 28.5 21.4 12 205 A I E S+I 37 0B 103 25,-1.4 25,-2.3 2,-0.0 -1,-0.4 -0.974 73.7 171.2-137.8 124.1 47.3 27.5 18.1 13 206 A G E +I 36 0B 31 -2,-0.4 2,-0.3 23,-0.2 23,-0.2 -0.993 6.6 154.0-135.4 134.1 46.0 30.1 15.6 14 207 A S E -I 35 0B 47 21,-2.4 21,-3.1 -2,-0.4 2,-0.4 -0.995 27.2-153.2-153.3 152.0 44.7 29.6 12.1 15 208 A I E -I 34 0B 8 122,-0.3 2,-0.3 -2,-0.3 19,-0.2 -0.992 22.7-174.0-125.8 132.6 42.4 31.1 9.5 16 209 A E E -I 33 0B 37 17,-2.3 17,-1.9 -2,-0.4 6,-0.1 -0.866 14.9-133.6-130.3 154.5 40.8 28.9 6.9 17 210 A G > - 0 0 2 4,-1.1 3,-2.2 -2,-0.3 7,-0.2 -0.223 59.8 -36.5 -96.5-169.6 38.7 29.3 3.8 18 211 A H G > S- 0 0 60 5,-1.8 3,-2.2 1,-0.3 5,-0.3 -0.279 129.7 -11.2 -61.5 128.6 35.5 27.6 2.7 19 212 A N G 3 S- 0 0 136 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.783 127.9 -62.9 51.5 31.7 35.6 23.8 3.6 20 213 A N G < S+ 0 0 104 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.638 108.1 126.4 63.7 18.1 39.3 24.4 4.4 21 214 A T S < S- 0 0 64 -3,-2.2 -4,-1.1 2,-0.2 -1,-0.2 -0.403 74.4-108.8 -80.8 175.4 40.2 25.3 0.8 22 215 A N S S+ 0 0 92 -2,-0.1 119,-2.9 -5,-0.1 2,-0.3 0.075 90.4 81.4 -93.0 26.7 42.1 28.6 0.0 23 216 A K E -b 141 0A 74 -5,-0.3 -5,-1.8 117,-0.3 2,-0.4 -0.940 54.2-165.6-134.9 148.8 39.0 30.2 -1.6 24 217 A V E -b 142 0A 0 117,-2.7 119,-2.3 -2,-0.3 8,-0.1 -0.996 7.1-164.1-138.0 134.9 35.9 32.1 -0.5 25 218 A E > > - 0 0 59 -2,-0.4 5,-1.9 117,-0.2 3,-1.4 -0.818 7.4-176.8-112.7 94.2 32.7 32.9 -2.4 26 219 A P G > 5S+ 0 0 24 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.859 81.3 56.3 -65.0 -33.8 30.9 35.6 -0.4 27 220 A H G 3 5S+ 0 0 41 116,-0.4 117,-0.1 1,-0.3 -2,-0.0 0.657 102.7 56.2 -71.6 -15.8 27.9 35.7 -2.7 28 221 A A G < 5S- 0 0 49 -3,-1.4 -1,-0.3 2,-0.0 -3,-0.1 0.162 126.9-103.7 -90.0 15.5 27.4 32.0 -2.2 29 222 A G T < 5S+ 0 0 61 -3,-1.6 2,-0.2 1,-0.2 -2,-0.2 0.793 74.2 144.8 65.4 31.7 27.2 32.7 1.5 30 223 A Q < + 0 0 31 -5,-1.9 84,-0.3 -12,-0.0 2,-0.3 -0.575 21.8 176.6 -97.4 171.2 30.7 31.4 2.3 31 224 A R - 0 0 105 -2,-0.2 82,-0.2 82,-0.1 2,-0.2 -0.951 29.4-103.6-163.9 165.1 33.1 32.9 4.9 32 225 A A E - J 0 112B 0 80,-3.0 80,-2.4 -2,-0.3 2,-0.4 -0.487 30.6-142.0 -96.8 169.1 36.5 32.4 6.5 33 226 A V E -IJ 16 111B 10 -17,-1.9 -17,-2.3 78,-0.2 2,-0.5 -0.994 4.2-154.4-140.9 129.0 36.9 31.0 10.0 34 227 A L E -IJ 15 110B 1 76,-3.0 76,-2.9 -2,-0.4 2,-0.4 -0.914 13.4-169.1-100.4 127.3 39.4 32.0 12.6 35 228 A K E -IJ 14 109B 78 -21,-3.1 -21,-2.4 -2,-0.5 2,-0.4 -0.989 6.3-179.9-123.3 133.3 40.3 29.4 15.2 36 229 A Y E -IJ 13 108B 6 72,-2.5 72,-2.4 -2,-0.4 2,-0.4 -0.964 22.7-166.0-129.1 139.2 42.3 30.1 18.4 37 230 A K E -IJ 12 107B 46 -25,-2.3 -26,-3.4 -2,-0.4 -25,-1.4 -0.997 27.8-167.6-116.1 118.3 43.6 28.2 21.3 38 231 A L E -IJ 10 106B 1 68,-2.9 68,-1.7 -2,-0.4 2,-0.4 -0.868 15.1-153.4-110.5 137.5 44.6 30.8 24.0 39 232 A K E -IJ 9 105B 35 -30,-2.6 -30,-2.4 -2,-0.4 2,-0.4 -0.920 17.9-152.8-103.0 140.1 46.7 30.3 27.2 40 233 A F E -I 8 0B 13 64,-2.6 64,-0.5 -2,-0.4 -32,-0.2 -0.946 13.8-120.4-114.1 138.0 46.0 32.8 30.0 41 234 A E - 0 0 103 -34,-1.8 3,-0.1 -2,-0.4 -34,-0.1 -0.333 40.6-103.2 -57.8 151.3 48.3 34.0 32.8 42 235 A N S S+ 0 0 78 1,-0.2 60,-0.1 58,-0.1 -1,-0.1 -0.263 94.6 49.9 -71.2 165.6 47.0 33.3 36.3 43 236 A G + 0 0 46 58,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.930 68.1 151.8 66.5 53.2 45.5 36.0 38.5 44 237 A L - 0 0 3 54,-0.4 56,-0.4 57,-0.2 2,-0.3 -0.765 26.4-153.8-102.6 156.8 43.0 37.6 36.2 45 238 A H > - 0 0 96 -2,-0.3 3,-2.1 -43,-0.1 49,-0.3 -0.895 28.3 -80.7-129.0 161.9 39.8 39.2 37.4 46 239 A Q T 3 S+ 0 0 121 -2,-0.3 49,-0.2 1,-0.3 50,-0.1 -0.252 117.4 27.4 -50.5 143.5 36.2 40.0 36.3 47 240 A G T 3 S+ 0 0 22 47,-3.1 -1,-0.3 1,-0.3 48,-0.1 0.206 89.3 125.0 78.2 -17.3 36.2 43.1 34.1 48 241 A D < - 0 0 10 -3,-2.1 46,-3.4 47,-0.2 -1,-0.3 -0.462 45.0-166.1 -65.5 153.2 39.8 42.5 32.9 49 242 A Y E -aC 3 93A 52 -47,-1.9 -45,-2.6 44,-0.3 -44,-0.4 -0.973 22.6-155.8-145.4 153.9 39.9 42.4 29.1 50 243 A F E - C 0 92A 0 42,-2.4 42,-2.9 -2,-0.3 2,-0.3 -0.982 13.7-154.2-128.5 148.6 42.0 41.5 26.1 51 244 A D E - C 0 91A 14 -2,-0.3 81,-0.6 40,-0.2 2,-0.3 -0.897 9.4-175.9-115.5 144.5 41.8 42.8 22.5 52 245 A F E -DC 131 90A 0 38,-2.1 38,-2.8 -2,-0.3 2,-0.5 -0.947 19.3-135.5-130.6 163.9 42.8 41.4 19.1 53 246 A T E -DC 130 89A 56 77,-2.3 77,-2.7 -2,-0.3 2,-0.3 -0.952 9.1-155.0-123.3 127.4 42.7 43.1 15.7 54 247 A L E -D 129 0A 7 34,-2.8 75,-0.2 -2,-0.5 73,-0.0 -0.780 32.6-102.4 -97.0 146.4 41.4 41.8 12.4 55 248 A S > - 0 0 25 73,-2.6 3,-1.7 -2,-0.3 33,-0.1 -0.359 37.0-116.2 -57.1 147.2 42.5 43.1 9.0 56 249 A N T 3 S+ 0 0 114 1,-0.3 62,-0.2 31,-0.1 -1,-0.1 0.462 106.0 79.8 -79.7 -0.6 39.7 45.4 7.7 57 250 A N T 3 S+ 0 0 11 69,-0.2 58,-2.9 61,-0.1 2,-0.3 0.640 100.0 41.1 -67.3 -17.8 39.0 43.1 4.7 58 251 A V E < -K 114 0C 7 -3,-1.7 2,-0.3 56,-0.2 56,-0.2 -0.874 62.8-178.3-126.2 162.2 37.0 40.9 7.1 59 252 A N E -K 113 0C 19 54,-1.8 54,-2.7 -2,-0.3 -4,-0.0 -0.916 34.2-119.5-147.3 178.8 34.5 41.4 9.9 60 253 A T S S+ 0 0 19 -2,-0.3 51,-0.2 52,-0.2 8,-0.1 0.315 101.1 50.6-100.9 4.1 32.5 39.2 12.3 61 254 A H > - 0 0 47 52,-0.2 3,-1.9 1,-0.1 5,-0.1 0.721 67.3-170.8-119.5 -32.3 29.0 40.3 11.3 62 255 A G T 3 S- 0 0 23 1,-0.3 -1,-0.1 51,-0.2 100,-0.1 -0.430 81.8 -15.7 64.1-139.8 28.5 40.1 7.5 63 256 A V T 3 S+ 0 0 47 98,-0.1 99,-2.3 -2,-0.0 -1,-0.3 0.596 111.1 112.1 -70.2 -11.7 25.1 41.7 6.8 64 257 A S B < -l 162 0D 41 -3,-1.9 99,-0.2 97,-0.2 -3,-0.0 -0.433 58.9-151.7 -66.6 135.3 24.0 41.6 10.4 65 258 A T S S+ 0 0 62 97,-2.2 -1,-0.1 -2,-0.1 98,-0.1 0.614 70.8 100.4 -74.6 -15.0 23.7 45.0 12.3 66 259 A A - 0 0 57 96,-0.3 96,-0.0 -5,-0.1 -2,-0.0 -0.340 59.3-159.0 -74.4 157.5 24.5 43.2 15.5 67 260 A R + 0 0 106 2,-0.1 17,-1.8 17,-0.0 2,-0.3 -0.086 44.6 120.9-133.8 35.4 28.0 43.4 16.9 68 261 A K B -E 83 0A 106 15,-0.2 15,-0.2 -8,-0.1 3,-0.0 -0.697 40.0-160.8 -94.9 150.2 28.4 40.4 19.3 69 262 A V - 0 0 16 13,-1.0 13,-0.5 -2,-0.3 41,-0.1 -0.768 38.6 -71.6-117.6 170.1 31.0 37.6 19.0 70 263 A P - 0 0 60 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.358 51.7-108.8 -66.0 148.6 31.0 34.1 20.5 71 264 A E - 0 0 104 10,-0.1 2,-0.7 1,-0.1 10,-0.2 -0.343 21.7-124.8 -67.0 147.8 31.5 33.7 24.2 72 265 A I E -F 80 0A 1 8,-2.4 7,-2.7 -2,-0.1 8,-2.0 -0.907 40.9-177.4 -95.3 118.4 34.8 32.2 25.5 73 266 A K E -F 78 0A 75 -2,-0.7 2,-0.5 34,-0.4 34,-0.3 -0.750 38.0-147.2-110.9 156.6 33.7 29.3 27.7 74 267 A N E > S-F 77 0A 61 3,-2.4 3,-1.8 -2,-0.3 2,-0.6 -0.869 81.9 -62.5-111.9 93.7 35.4 26.7 29.9 75 268 A G T 3 S- 0 0 71 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.566 122.6 -11.8 65.2-108.3 32.8 23.9 29.1 76 269 A S T 3 S+ 0 0 113 -2,-0.6 2,-0.5 -3,-0.1 -1,-0.3 0.612 116.6 93.5 -95.8 -15.4 29.6 25.4 30.4 77 270 A V E < S-F 74 0A 59 -3,-1.8 -3,-2.4 20,-0.1 2,-0.6 -0.714 74.4-131.1 -89.0 120.5 31.1 28.4 32.4 78 271 A V E +F 73 0A 36 -2,-0.5 19,-0.4 -5,-0.2 -5,-0.3 -0.609 29.3 174.7 -75.0 112.9 31.2 31.8 30.5 79 272 A M E + 0 0 1 -7,-2.7 16,-2.9 -2,-0.6 2,-0.3 0.794 64.3 5.4 -87.4 -38.7 34.8 33.0 31.0 80 273 A A E -FG 72 94A 0 -8,-2.0 -8,-2.4 14,-0.3 2,-0.3 -0.996 57.2-149.3-150.2 148.3 34.6 36.0 28.7 81 274 A T E - 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