==== 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 4JDZ . 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 . 875 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44023.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 557 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 304 34.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 110 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 6 0 1 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 PARALLEL BRIDGES PER LADDER . 4 8 4 3 9 6 2 7 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 3 3 2 3 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 1 235 B S 0 0 133 0, 0.0 2,-0.4 0, 0.0 47,-0.2 0.000 360.0 360.0 360.0 -10.9 12.9 14.0 16.5 2 236 B K - 0 0 116 43,-0.1 47,-2.1 2,-0.0 2,-0.7 -0.923 360.0-123.1-124.5 138.1 9.5 15.5 16.0 3 237 B N B -a 49 0A 63 -2,-0.4 3,-0.3 45,-0.2 47,-0.2 -0.684 27.4-178.9 -75.2 113.8 5.9 14.4 16.8 4 238 B V > + 0 0 0 45,-2.4 3,-2.3 -2,-0.7 4,-0.2 -0.015 37.6 127.0-109.9 29.5 4.0 14.5 13.5 5 239 B N G > S+ 0 0 9 44,-0.3 3,-1.2 1,-0.3 134,-0.6 0.850 75.9 57.0 -47.9 -36.9 0.6 13.4 14.8 6 240 B D G 3 S+ 0 0 119 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.609 101.4 57.7 -74.4 -10.3 -0.8 16.6 13.0 7 241 B L G < S+ 0 0 33 -3,-2.3 34,-3.0 34,-0.1 2,-0.4 0.247 94.9 75.2-105.4 10.4 0.7 15.4 9.7 8 242 B I E < -H 40 0B 4 -3,-1.2 131,-0.3 32,-0.2 2,-0.3 -0.944 55.1-173.9-119.7 148.8 -1.1 12.1 9.5 9 243 B T E -H 39 0B 84 30,-2.3 30,-3.8 -2,-0.4 2,-0.3 -0.941 9.5-175.3-133.2 158.4 -4.7 11.4 8.6 10 244 B S E -H 38 0B 33 -2,-0.3 2,-0.5 28,-0.3 28,-0.2 -0.994 31.1-137.3-154.7 154.5 -6.6 8.1 8.7 11 245 B N E +H 37 0B 131 26,-2.0 26,-1.8 -2,-0.3 2,-0.4 -0.975 44.1 177.8-113.3 114.9 -9.8 6.2 7.9 12 246 B T E -H 36 0B 19 -2,-0.5 2,-0.4 24,-0.2 24,-0.2 -0.918 23.8-170.5-130.9 141.9 -10.4 4.0 10.9 13 247 B T E -H 35 0B 72 22,-2.7 22,-2.3 -2,-0.4 2,-0.4 -0.994 1.9-170.5-128.3 142.1 -12.9 1.4 12.3 14 248 B L E +H 34 0B 11 -2,-0.4 2,-0.4 129,-0.2 20,-0.2 -0.994 15.7 174.2-129.2 122.2 -13.1 -0.2 15.8 15 249 B T E -H 33 0B 76 18,-1.7 18,-2.8 -2,-0.4 2,-0.2 -0.988 29.4-126.6-134.0 131.2 -15.6 -3.0 16.2 16 250 B V E -H 32 0B 32 -2,-0.4 2,-0.6 16,-0.2 16,-0.3 -0.570 24.3-147.2 -76.8 144.2 -16.2 -5.4 19.1 17 251 B V E -H 31 0B 40 14,-3.6 2,-1.9 -2,-0.2 14,-1.7 -0.949 9.3-149.7-117.7 115.5 -16.0 -9.0 18.2 18 252 B D > - 0 0 36 -2,-0.6 3,-1.1 1,-0.2 5,-0.1 -0.627 25.1-179.2 -76.8 84.3 -18.3 -11.5 20.0 19 253 B A T 3 S+ 0 0 43 -2,-1.9 -1,-0.2 1,-0.3 11,-0.1 0.854 77.2 42.3 -61.2 -42.0 -15.7 -14.3 19.5 20 254 B I T 3 S- 0 0 91 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.476 101.9-135.5 -83.9 -5.7 -17.6 -17.1 21.2 21 255 B K < + 0 0 168 -3,-1.1 -2,-0.1 1,-0.1 -3,-0.0 0.835 61.8 133.9 54.9 37.2 -20.8 -15.9 19.4 22 256 B N S S- 0 0 58 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.279 74.9-114.2-101.1 13.0 -22.9 -16.2 22.6 23 257 B N S S+ 0 0 153 1,-0.2 2,-0.3 -5,-0.1 -5,-0.0 0.762 86.8 101.3 63.6 24.2 -24.6 -12.8 22.3 24 258 B K - 0 0 100 2,-0.1 2,-0.6 124,-0.0 -2,-0.3 -0.997 66.4-137.7-136.8 138.6 -22.8 -11.5 25.4 25 259 B I B +b 148 0A 24 122,-0.7 124,-2.2 -2,-0.3 -7,-0.1 -0.870 31.0 164.5-102.2 120.0 -19.8 -9.2 25.6 26 260 B V >> - 0 0 9 -2,-0.6 4,-2.7 122,-0.2 3,-1.2 -0.997 39.4-133.9-136.6 130.0 -17.2 -10.3 28.2 27 261 B P T 34 S+ 0 0 17 0, 0.0 92,-0.4 0, 0.0 -1,-0.1 0.853 103.4 56.1 -58.0 -33.5 -13.6 -9.0 28.4 28 262 B A T 34 S+ 0 0 84 1,-0.2 35,-0.1 90,-0.1 -3,-0.0 0.733 121.8 24.9 -70.8 -22.2 -12.2 -12.5 29.0 29 263 B Q T <4 S+ 0 0 89 -3,-1.2 -1,-0.2 2,-0.0 2,-0.1 0.715 114.3 62.1-110.6 -31.0 -13.7 -14.0 25.8 30 264 B D < - 0 0 2 -4,-2.7 89,-0.5 -11,-0.1 2,-0.3 -0.441 56.2-173.7-103.3 168.5 -14.3 -11.2 23.4 31 265 B Y E -H 17 0B 70 -14,-1.7 -14,-3.6 87,-0.1 2,-0.4 -0.873 23.3-106.1-148.6-176.5 -12.0 -8.6 21.6 32 266 B L E -HI 16 117B 0 85,-3.4 85,-3.2 -2,-0.3 2,-0.6 -0.970 18.9-144.0-122.7 133.6 -11.8 -5.6 19.4 33 267 B A E -HI 15 116B 18 -18,-2.8 -18,-1.7 -2,-0.4 2,-0.5 -0.882 16.7-167.0 -95.5 114.3 -10.9 -5.4 15.7 34 268 B L E +HI 14 115B 3 81,-3.1 81,-2.8 -2,-0.6 2,-0.4 -0.907 11.2 172.5-103.6 124.6 -8.9 -2.3 14.9 35 269 B K E +HI 13 114B 101 -22,-2.3 -22,-2.7 -2,-0.5 2,-0.3 -0.998 4.8 164.2-133.5 132.2 -8.5 -1.5 11.2 36 270 B S E -HI 12 113B 6 77,-2.4 77,-2.5 -2,-0.4 2,-0.5 -0.998 30.9-153.0-150.9 143.5 -7.0 1.7 9.7 37 271 B Q E -HI 11 112B 104 -26,-1.8 -26,-2.0 -2,-0.3 2,-0.4 -0.980 28.2-163.4-112.2 119.2 -5.5 3.2 6.5 38 272 B I E -HI 10 111B 0 73,-3.5 73,-2.6 -2,-0.5 2,-0.4 -0.877 9.1-159.0-111.4 132.2 -3.1 6.0 7.4 39 273 B K E -HI 9 110B 115 -30,-3.8 -30,-2.3 -2,-0.4 2,-0.5 -0.908 9.1-154.3-109.1 138.8 -1.8 8.7 5.2 40 274 B V E -H 8 0B 7 69,-2.4 69,-0.4 -2,-0.4 -32,-0.2 -0.939 19.8-117.3-118.1 126.2 1.4 10.5 6.0 41 275 B D > - 0 0 69 -34,-3.0 3,-1.7 -2,-0.5 -34,-0.1 -0.258 21.9-123.4 -57.3 144.4 2.2 14.1 4.8 42 276 B D T 3 S+ 0 0 84 1,-0.3 -1,-0.1 66,-0.0 64,-0.0 0.763 108.9 70.5 -60.3 -26.2 5.3 14.4 2.5 43 277 B K T 3 S+ 0 0 138 -36,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.754 77.2 102.5 -61.5 -25.3 6.7 16.9 5.0 44 278 B V < - 0 0 3 -3,-1.7 2,-0.3 -37,-0.2 3,-0.0 -0.337 57.4-170.0 -62.6 139.9 7.2 14.0 7.4 45 279 B K > - 0 0 64 -43,-0.1 3,-2.3 1,-0.1 54,-0.2 -0.840 31.3 -65.5-132.6 167.9 10.8 12.7 7.6 46 280 B S T 3 S+ 0 0 52 -2,-0.3 54,-0.2 1,-0.3 55,-0.1 -0.172 119.2 23.7 -49.6 136.6 13.0 9.9 9.0 47 281 B G T 3 S+ 0 0 29 52,-2.6 -1,-0.3 1,-0.4 53,-0.1 0.252 91.0 121.6 86.7 -16.6 13.1 9.9 12.8 48 282 B D < - 0 0 2 -3,-2.3 51,-2.4 -47,-0.2 -1,-0.4 -0.413 48.0-158.1 -64.5 157.6 9.8 11.7 13.1 49 283 B Y E -aC 3 98A 79 -47,-2.1 -45,-2.4 49,-0.2 2,-0.3 -0.981 16.0-162.6-140.8 153.4 7.2 9.7 15.1 50 284 B F E - C 0 97A 0 47,-2.1 47,-3.0 -2,-0.3 2,-0.3 -0.876 18.6-133.6-125.6 165.9 3.4 9.4 15.5 51 285 B T E - C 0 96A 9 -2,-0.3 87,-2.9 45,-0.2 2,-0.4 -0.835 11.1-157.3-120.2 154.6 1.4 7.8 18.2 52 286 B I E -DC 137 95A 1 43,-2.7 43,-2.1 -2,-0.3 2,-0.3 -0.994 24.6-179.4-119.3 123.2 -1.5 5.5 18.7 53 287 B K E -DC 136 94A 108 83,-2.9 83,-3.8 -2,-0.4 2,-0.3 -0.807 6.8-160.5-118.1 165.5 -3.1 5.8 22.1 54 288 B Y E -D 135 0A 15 39,-1.5 81,-0.2 -2,-0.3 4,-0.1 -0.994 23.6 -93.7-150.9 151.0 -6.1 3.9 23.5 55 289 B S > - 0 0 20 79,-2.8 3,-2.1 -2,-0.3 78,-0.0 -0.014 39.7-103.6 -65.0 164.7 -8.6 4.3 26.3 56 290 B D T 3 S+ 0 0 107 1,-0.3 67,-0.3 63,-0.0 66,-0.2 0.733 121.1 61.9 -57.6 -25.0 -8.3 2.9 29.9 57 291 B T T 3 S+ 0 0 16 75,-0.2 63,-2.3 65,-0.1 2,-0.4 0.380 98.4 72.8 -81.6 3.0 -10.8 0.2 28.8 58 292 B V E < +J 119 0C 1 -3,-2.1 2,-0.3 61,-0.3 61,-0.2 -0.932 52.2 173.6-123.9 141.8 -8.4 -1.1 26.1 59 293 B Q E -J 118 0C 28 59,-2.3 59,-2.9 -2,-0.4 -4,-0.1 -0.935 31.7-131.0-138.1 163.4 -5.2 -3.1 26.3 60 294 B V S S+ 0 0 4 -2,-0.3 2,-0.3 57,-0.2 56,-0.1 0.319 85.9 46.4-104.3 10.0 -3.1 -4.6 23.5 61 295 B Y - 0 0 67 1,-0.1 57,-0.1 57,-0.1 56,-0.0 -0.969 62.1-158.1-141.8 157.2 -2.6 -8.1 24.8 62 296 B G S S- 0 0 21 2,-0.4 -1,-0.1 -2,-0.3 -2,-0.1 0.446 70.9 -26.4-100.2-118.5 -5.0 -10.7 26.3 63 297 B L S S+ 0 0 57 1,-0.2 105,-2.0 -35,-0.1 3,-0.1 0.787 130.3 60.8 -71.8 -29.7 -4.0 -13.6 28.5 64 298 B N > - 0 0 27 103,-0.2 3,-2.4 1,-0.1 -2,-0.4 -0.847 64.7-167.0-105.3 101.9 -0.5 -13.8 27.1 65 299 B P G > S+ 0 0 43 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.696 87.0 68.2 -62.6 -18.0 1.4 -10.6 27.6 66 300 B E G > S+ 0 0 72 1,-0.2 3,-2.0 2,-0.1 4,-0.1 0.719 78.9 81.2 -70.5 -20.3 4.0 -11.8 25.1 67 301 B D G X + 0 0 48 -3,-2.4 3,-2.4 1,-0.3 4,-0.3 0.596 65.1 89.5 -60.9 -11.2 1.4 -11.4 22.4 68 302 B I G X S+ 0 0 29 -3,-1.2 3,-1.7 1,-0.3 -1,-0.3 0.800 73.2 70.6 -57.4 -25.2 2.3 -7.7 22.4 69 303 B K G < S+ 0 0 124 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.701 80.3 74.8 -63.8 -19.1 4.8 -8.7 19.8 70 304 B N G < S+ 0 0 112 -3,-2.4 2,-0.8 1,-0.2 -1,-0.3 0.699 88.3 63.7 -68.6 -19.4 1.9 -9.2 17.4 71 305 B I S < S+ 0 0 8 -3,-1.7 -1,-0.2 -4,-0.3 2,-0.1 -0.882 83.4 129.6-105.1 99.9 1.5 -5.5 17.1 72 306 B G - 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