==== 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 4B60 . 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 . 617 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28403.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 423 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 236 38.2 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 . 7 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.1 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 . 59 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 6 6 0 5 4 2 6 3 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 0 0 2 4 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 1 195 A T 0 0 114 0, 0.0 47,-2.5 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 141.9 9.1 0.9 25.8 2 196 A D B +a 48 0A 74 45,-0.2 3,-0.2 1,-0.1 47,-0.2 -0.671 360.0 173.2 -68.6 112.8 5.9 0.7 23.9 3 197 A V > + 0 0 8 45,-3.5 3,-2.2 -2,-0.7 46,-0.2 0.012 35.6 122.8-115.9 25.8 4.5 4.2 24.4 4 198 A T G > S+ 0 0 19 44,-0.4 3,-1.9 1,-0.3 -1,-0.2 0.882 72.5 61.3 -50.3 -40.2 1.5 3.9 22.1 5 199 A S G 3 S+ 0 0 79 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.652 97.5 60.3 -64.0 -15.5 -0.7 4.8 25.1 6 200 A K G < S+ 0 0 74 -3,-2.2 34,-2.4 34,-0.1 2,-0.4 0.342 87.8 90.0 -91.5 2.9 1.2 8.1 25.3 7 201 A V E < -H 39 0B 3 -3,-1.9 2,-0.5 32,-0.2 32,-0.2 -0.880 57.2-163.8-108.7 127.2 0.1 9.2 21.8 8 202 A T E -H 38 0B 72 30,-2.8 30,-2.3 -2,-0.4 2,-1.2 -0.939 18.8-136.6-110.2 133.4 -3.1 11.2 21.1 9 203 A V E +H 37 0B 9 -2,-0.5 28,-0.2 28,-0.2 3,-0.2 -0.774 25.9 175.5 -85.3 98.7 -4.7 11.6 17.8 10 204 A E E S+ 0 0 77 26,-1.6 2,-0.3 -2,-1.2 -1,-0.2 0.872 75.1 3.1 -65.5 -42.3 -5.5 15.3 17.8 11 205 A I E S+H 36 0B 96 25,-1.7 25,-2.4 -3,-0.2 2,-0.4 -0.978 70.5 175.0-148.8 132.5 -6.7 15.1 14.2 12 206 A G E +H 35 0B 29 -2,-0.3 2,-0.3 23,-0.2 23,-0.2 -0.987 6.8 161.1-144.0 130.2 -7.0 12.1 11.9 13 207 A S E -H 34 0B 42 21,-2.2 21,-3.0 -2,-0.4 2,-0.4 -0.996 24.7-155.3-145.8 149.8 -8.4 11.8 8.4 14 208 A I E -H 33 0B 7 122,-0.3 2,-0.3 -2,-0.3 19,-0.2 -0.992 21.9-169.4-118.3 133.3 -8.3 9.6 5.4 15 209 A E E -H 32 0B 35 17,-2.1 17,-2.2 -2,-0.4 6,-0.1 -0.935 15.9-131.6-122.8 148.3 -9.1 11.1 2.0 16 210 A G > - 0 0 1 4,-1.5 3,-0.8 -2,-0.3 2,-0.2 0.061 59.7 -49.0 -77.1-162.9 -9.7 9.6 -1.4 17 211 A H G > S- 0 0 20 5,-2.6 3,-1.8 1,-0.3 5,-0.3 -0.527 125.6 -1.1 -80.4 134.9 -8.0 10.9 -4.5 18 212 A N G 3 S- 0 0 53 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.919 131.0 -62.1 54.2 49.0 -8.0 14.7 -5.0 19 213 A N G < S+ 0 0 112 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.675 110.4 122.6 38.4 35.3 -10.1 15.0 -1.9 20 214 A T S < S- 0 0 65 -3,-1.8 -4,-1.5 2,-0.3 -1,-0.2 -0.450 76.2-110.4 -98.9-179.0 -12.9 13.0 -3.3 21 215 A N S S+ 0 0 97 -2,-0.2 119,-3.1 -5,-0.1 2,-0.3 -0.023 90.1 81.0-102.9 31.7 -14.5 9.8 -1.9 22 216 A K E -b 140 0A 82 -5,-0.3 -5,-2.6 117,-0.3 2,-0.4 -0.967 53.4-165.4-141.2 146.0 -13.1 7.6 -4.7 23 217 A V E -b 141 0A 0 117,-2.7 119,-2.2 -2,-0.3 3,-0.1 -0.995 2.9-168.3-132.7 131.4 -9.8 5.9 -5.8 24 218 A E > > - 0 0 60 -2,-0.4 3,-2.0 117,-0.2 5,-1.7 -0.874 7.2-174.7-116.0 88.3 -9.2 4.6 -9.3 25 219 A P T > 5S+ 0 0 16 0, 0.0 3,-1.1 0, 0.0 584,-0.4 0.768 80.4 59.1 -63.3 -26.1 -6.0 2.6 -8.8 26 220 A H T 3 5S+ 0 0 9 116,-0.5 581,-2.0 1,-0.3 117,-0.1 0.387 102.0 55.7 -81.5 0.7 -5.6 1.8 -12.6 27 221 A A B < 5S-j 607 0C 35 -3,-2.0 -1,-0.3 579,-0.2 581,-0.2 0.095 125.5-104.9-109.4 16.1 -5.4 5.6 -13.2 28 222 A G T < 5S+ 0 0 1 579,-1.6 582,-0.2 -3,-1.1 580,-0.1 0.719 72.3 147.3 68.7 25.3 -2.5 5.7 -10.7 29 223 A Q < - 0 0 36 -5,-1.7 84,-0.3 578,-0.2 2,-0.3 -0.454 22.7-177.4 -89.0 165.0 -4.6 7.3 -7.9 30 224 A R - 0 0 10 -2,-0.1 2,-0.2 82,-0.1 82,-0.2 -0.919 23.1-115.6-147.9 173.9 -4.2 6.7 -4.1 31 225 A A E - I 0 111B 0 80,-3.3 80,-3.0 -2,-0.3 2,-0.4 -0.650 27.3-135.2-106.9 170.2 -5.7 7.7 -0.8 32 226 A V E -HI 15 110B 4 -17,-2.2 -17,-2.1 78,-0.2 2,-0.5 -0.994 5.4-153.4-137.3 128.6 -4.0 9.7 2.0 33 227 A L E -HI 14 109B 2 76,-2.8 76,-2.5 -2,-0.4 2,-0.4 -0.847 17.5-169.0 -94.9 129.0 -3.8 9.3 5.8 34 228 A K E -HI 13 108B 69 -21,-3.0 -21,-2.2 -2,-0.5 2,-0.4 -0.989 6.4-179.7-122.8 122.4 -3.3 12.6 7.6 35 229 A Y E -HI 12 107B 8 72,-3.4 72,-2.4 -2,-0.4 2,-0.5 -0.948 21.9-170.9-118.9 136.4 -2.4 12.7 11.3 36 230 A K E -HI 11 106B 57 -25,-2.4 -25,-1.7 -2,-0.4 -26,-1.6 -0.992 29.8-170.4-112.7 120.8 -1.7 15.5 13.8 37 231 A L E -HI 9 105B 1 68,-3.1 68,-2.0 -2,-0.5 2,-0.4 -0.828 18.4-156.3-114.4 143.7 -0.4 13.7 16.9 38 232 A K E -HI 8 104B 93 -30,-2.3 -30,-2.8 -2,-0.3 2,-0.4 -0.961 11.9-156.1-111.5 143.9 0.4 14.8 20.5 39 233 A F E -H 7 0B 9 64,-2.2 64,-0.5 -2,-0.4 -32,-0.2 -0.963 17.8-123.0-119.6 131.7 2.9 13.0 22.7 40 234 A E - 0 0 114 -34,-2.4 3,-0.3 -2,-0.4 -34,-0.1 -0.345 41.5-101.8 -61.1 150.1 3.0 12.9 26.5 41 235 A N S S+ 0 0 75 1,-0.2 60,-0.1 58,-0.1 -1,-0.1 -0.267 93.9 57.2 -69.6 166.4 6.3 14.2 27.9 42 236 A G + 0 0 50 58,-0.5 -1,-0.2 55,-0.2 2,-0.1 0.642 67.3 144.9 87.8 24.5 9.1 11.9 29.3 43 237 A L - 0 0 9 54,-0.3 56,-0.5 -3,-0.3 2,-0.3 -0.419 31.1-148.9 -92.5 162.8 9.7 9.7 26.3 44 238 A H > - 0 0 88 54,-0.1 3,-2.4 -2,-0.1 49,-0.3 -0.919 29.6 -77.4-133.4 157.4 13.2 8.3 25.3 45 239 A Q T 3 S+ 0 0 124 -2,-0.3 49,-0.2 1,-0.3 3,-0.1 -0.274 119.7 22.6 -45.6 125.2 15.3 7.3 22.4 46 240 A G T 3 S+ 0 0 39 47,-2.8 -1,-0.3 1,-0.4 48,-0.1 0.172 87.8 126.0 95.8 -17.5 14.1 3.8 21.3 47 241 A D < - 0 0 14 -3,-2.4 46,-2.9 47,-0.1 -1,-0.4 -0.374 44.8-164.5 -62.1 153.6 10.6 4.1 22.8 48 242 A Y E -aC 2 92A 61 -47,-2.5 -45,-3.5 44,-0.2 -44,-0.4 -0.962 22.5-155.9-145.7 160.1 8.0 3.4 20.1 49 243 A F E - C 0 91A 0 42,-2.6 42,-2.8 -2,-0.3 2,-0.3 -0.969 14.5-150.5-135.3 150.3 4.4 3.6 19.1 50 244 A D E - C 0 90A 12 -2,-0.3 81,-0.4 40,-0.2 2,-0.3 -0.907 12.4-179.1-116.3 151.0 2.3 1.6 16.6 51 245 A F E - C 0 89A 1 38,-2.2 38,-3.4 -2,-0.3 2,-0.4 -0.974 18.3-141.3-137.4 159.9 -0.6 2.1 14.4 52 246 A T E -DC 129 88A 55 77,-2.4 77,-2.4 -2,-0.3 2,-0.3 -0.949 5.9-151.7-126.2 127.9 -2.4 -0.5 12.1 53 247 A L E -D 128 0A 7 34,-2.5 75,-0.2 -2,-0.4 73,-0.0 -0.775 32.1-100.8 -95.7 143.4 -3.8 0.0 8.6 54 248 A S > - 0 0 23 73,-2.0 3,-1.7 -2,-0.3 -1,-0.1 -0.217 35.0-113.7 -59.8 151.3 -6.7 -2.0 7.2 55 249 A N T 3 S+ 0 0 109 1,-0.3 62,-0.2 31,-0.1 -1,-0.1 0.576 107.5 77.0 -77.9 -6.1 -5.5 -4.8 4.9 56 250 A N T 3 S+ 0 0 17 69,-0.2 58,-2.3 61,-0.1 2,-0.3 0.526 101.4 40.6 -73.2 -6.8 -7.2 -3.1 1.8 57 251 A V E < -Q 113 0D 6 -3,-1.7 2,-0.3 56,-0.3 56,-0.2 -0.920 60.0-177.8-137.3 158.9 -4.3 -0.6 1.7 58 252 A N E -Q 112 0D 21 54,-1.7 54,-2.7 -2,-0.3 -4,-0.0 -0.880 35.5-116.7-139.8 179.4 -0.6 -0.6 2.1 59 253 A T S S+ 0 0 3 -2,-0.3 8,-0.2 52,-0.2 51,-0.2 0.278 103.9 47.6-103.8 10.0 2.1 2.2 2.0 60 254 A H > - 0 0 29 52,-0.2 551,-2.0 1,-0.1 3,-1.9 0.697 67.8-178.6-120.4 -31.1 4.0 1.0 -1.1 61 255 A G B 3 S-K 610 0C 19 1,-0.3 549,-0.3 549,-0.2 -1,-0.1 -0.380 80.6 -7.9 55.3-129.4 1.6 0.1 -3.9 62 256 A V T 3 S+ 0 0 15 547,-2.6 99,-2.4 98,-0.1 -1,-0.3 0.736 114.6 101.8 -71.8 -13.4 3.7 -1.2 -6.8 63 257 A S B < -r 161 0E 7 -3,-1.9 99,-0.2 97,-0.2 549,-0.1 -0.353 63.3-149.9 -70.2 144.6 7.0 -0.3 -5.1 64 258 A T S S+ 0 0 47 97,-2.0 2,-0.2 547,-0.1 -1,-0.1 0.643 72.1 94.3 -85.7 -18.0 9.1 -3.0 -3.5 65 259 A A - 0 0 44 96,-0.4 2,-0.7 546,-0.2 546,-0.2 -0.591 64.5-152.7 -76.3 141.0 10.6 -0.6 -0.9 66 260 A R + 0 0 114 -2,-0.2 17,-0.6 17,-0.1 2,-0.3 -0.807 39.1 142.9-115.9 82.0 8.6 -0.6 2.4 67 261 A K - 0 0 69 -2,-0.7 15,-0.1 -8,-0.2 544,-0.0 -0.793 32.0-162.3-120.7 160.8 9.3 2.9 3.9 68 262 A V - 0 0 15 13,-0.4 13,-0.5 -2,-0.3 41,-0.1 -0.989 35.4 -92.2-141.6 150.5 7.4 5.5 5.8 69 263 A P - 0 0 24 0, 0.0 2,-0.1 0, 0.0 12,-0.0 -0.155 42.2-107.6 -65.0 151.1 8.2 9.2 6.2 70 264 A E - 0 0 96 10,-0.1 2,-0.7 231,-0.1 10,-0.2 -0.444 26.9-119.9 -71.7 146.9 10.2 10.5 9.2 71 265 A I E -E 79 0A 1 8,-2.2 7,-2.8 -2,-0.1 8,-1.5 -0.867 44.8-175.3 -85.8 119.8 8.4 12.3 12.0 72 266 A K E -E 77 0A 68 -2,-0.7 2,-0.5 34,-0.4 34,-0.4 -0.832 36.4-157.8-122.2 149.5 10.1 15.7 12.1 73 267 A N E > S-E 76 0A 61 3,-2.6 3,-2.3 -2,-0.3 2,-0.3 -0.950 85.9 -46.7-118.2 103.8 10.0 19.0 14.1 74 268 A G T 3 S- 0 0 41 -2,-0.5 519,-0.1 1,-0.3 544,-0.0 -0.566 124.0 -26.1 66.2-129.1 11.4 21.4 11.5 75 269 A S T 3 S+ 0 0 39 -2,-0.3 2,-0.6 -3,-0.1 -1,-0.3 0.405 116.8 109.8 -88.9 -0.8 14.4 19.6 10.1 76 270 A V E < -E 73 0A 43 -3,-2.3 -3,-2.6 1,-0.1 2,-0.7 -0.684 67.9-135.4 -85.2 123.6 14.8 17.6 13.3 77 271 A V E +E 72 0A 34 -2,-0.6 19,-0.4 -5,-0.2 -5,-0.3 -0.608 26.0 175.6 -76.7 111.2 14.0 13.9 13.1 78 272 A M E - 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