==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 10-MAR-09 2WC9 . COMPND 2 MOLECULE: TERMINASE LARGE SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS PHAGE SPP1; . AUTHOR C.SMITS,M.CHECHIK,O.V.KOVALEVSKIY,M.B.SHEVTSOV,A.W.FOSTER, . 177 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10058.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 9 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.3 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 0 0 1 0 0 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 1 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 1 237 A V 0 0 142 0, 0.0 145,-0.4 0, 0.0 154,-0.1 0.000 360.0 360.0 360.0 -35.9 27.1 45.7 23.6 2 238 A V - 0 0 88 143,-0.1 3,-0.3 0, 0.0 143,-0.1 -0.980 360.0-144.5-127.6 121.7 23.6 44.4 24.6 3 239 A P + 0 0 10 0, 0.0 143,-0.0 0, 0.0 141,-0.0 -0.251 67.6 24.7 -84.8 169.0 22.0 41.5 22.9 4 240 A F > + 0 0 6 1,-0.1 3,-1.7 2,-0.1 123,-0.1 0.857 54.8 163.6 49.2 49.7 18.4 40.6 21.9 5 241 A E T 3 + 0 0 161 -3,-0.3 -1,-0.1 1,-0.3 117,-0.0 0.760 69.7 73.6 -62.2 -21.1 17.1 44.2 21.8 6 242 A N T 3 S+ 0 0 16 116,-0.3 121,-2.1 118,-0.1 -1,-0.3 0.389 70.9 126.7 -72.2 2.6 14.2 42.5 19.9 7 243 A L E < -a 127 0A 33 -3,-1.7 2,-0.5 119,-0.2 121,-0.2 -0.412 40.0-169.2 -70.6 135.6 12.8 40.9 23.1 8 244 A Q E +a 128 0A 101 119,-2.9 121,-3.1 -2,-0.1 2,-0.4 -0.980 17.2 171.4-117.5 113.8 9.1 41.4 24.0 9 245 A I E +a 129 0A 52 -2,-0.5 2,-0.3 119,-0.2 121,-0.2 -0.977 12.5 130.2-130.5 120.4 8.5 40.2 27.5 10 246 A E > - 0 0 129 119,-1.4 3,-2.0 -2,-0.4 2,-0.3 -0.920 58.3-101.2-164.9 139.9 5.4 40.6 29.5 11 247 A E T 3 S+ 0 0 136 -2,-0.3 119,-0.1 1,-0.3 -2,-0.0 -0.476 111.9 14.4 -65.1 125.8 3.0 38.4 31.6 12 248 A G T 3 S+ 0 0 39 -2,-0.3 -1,-0.3 2,-0.1 118,-0.1 0.386 82.7 130.2 89.9 -1.3 -0.0 37.7 29.4 13 249 A I S < S+ 0 0 44 -3,-2.0 2,-0.5 1,-0.2 -2,-0.1 0.741 71.2 52.1 -61.3 -20.6 1.6 38.9 26.2 14 250 A I S S- 0 0 1 -4,-0.2 -1,-0.2 40,-0.0 -2,-0.1 -0.911 81.4-155.7-116.4 106.2 0.5 35.6 24.5 15 251 A T > - 0 0 65 -2,-0.5 4,-2.3 1,-0.1 5,-0.1 -0.250 28.9-112.9 -74.7 164.7 -3.2 34.7 24.9 16 252 A D H > S+ 0 0 124 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.854 118.9 58.5 -64.3 -36.4 -4.7 31.2 24.8 17 253 A A H > S+ 0 0 56 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.951 106.7 47.5 -55.4 -49.5 -6.4 32.2 21.6 18 254 A E H > S+ 0 0 48 1,-0.2 4,-1.4 2,-0.2 3,-0.4 0.943 108.6 53.6 -59.8 -49.2 -3.1 33.1 20.0 19 255 A V H >< S+ 0 0 41 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.900 107.0 53.1 -50.9 -44.1 -1.5 29.8 21.2 20 256 A A H 3< S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.886 108.7 49.1 -61.4 -40.5 -4.4 27.9 19.5 21 257 A R H 3< S+ 0 0 168 -4,-1.7 2,-0.4 -3,-0.4 -1,-0.2 0.697 80.9 112.8 -69.6 -24.3 -3.7 29.7 16.1 22 258 A F << + 0 0 26 -4,-1.4 3,-0.1 -3,-0.6 24,-0.0 -0.387 32.6 161.6 -63.6 114.4 -0.0 29.0 16.1 23 259 A D + 0 0 138 -2,-0.4 -1,-0.2 1,-0.1 21,-0.1 0.029 52.8 71.5-124.1 21.8 0.5 26.6 13.3 24 260 A N - 0 0 54 2,-0.0 21,-2.3 23,-0.0 -1,-0.1 -0.466 68.2-177.2-138.8 70.2 4.3 26.9 12.5 25 261 A I E -B 44 0A 30 19,-0.2 2,-0.3 -3,-0.1 19,-0.2 -0.272 16.1-175.7 -76.8 145.7 6.0 25.2 15.4 26 262 A R E -B 43 0A 56 17,-2.7 17,-3.1 54,-0.1 2,-0.3 -0.964 9.8-174.2-136.7 128.2 9.7 24.8 16.0 27 263 A Q E -Bc 42 82A 2 54,-0.6 56,-2.0 -2,-0.3 2,-0.3 -0.926 3.0-179.5-123.5 147.2 11.0 22.7 19.0 28 264 A G E -Bc 41 83A 0 13,-1.9 13,-2.2 -2,-0.3 2,-0.3 -0.909 11.3-152.0-140.3 162.8 14.5 22.2 20.3 29 265 A L E -Bc 40 84A 0 54,-1.5 56,-2.8 -2,-0.3 2,-0.4 -0.958 6.8-168.6-143.3 120.1 16.2 20.3 23.1 30 266 A D E -B 39 0A 16 9,-2.8 9,-2.9 -2,-0.3 138,-0.0 -0.939 18.3-150.7 -97.7 138.7 19.4 20.9 25.1 31 267 A F - 0 0 1 -2,-0.4 7,-0.2 7,-0.2 -1,-0.1 0.717 24.3-136.9 -86.6 -24.5 20.3 17.8 27.1 32 268 A G - 0 0 8 5,-0.2 2,-0.3 7,-0.1 6,-0.1 0.167 15.8-156.8 77.5 160.5 22.1 19.1 30.2 33 269 A Y B > -G 36 0B 192 3,-0.9 3,-3.0 4,-0.0 -1,-0.1 -0.936 56.4 -20.2-176.1 135.2 25.3 17.9 31.9 34 270 A G T 3 S- 0 0 71 1,-0.3 0, 0.0 -2,-0.3 0, 0.0 -0.217 137.1 -5.1 52.6-122.8 26.7 18.3 35.4 35 271 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.532 118.6 101.4 -73.0 -4.5 25.1 21.4 37.1 36 272 A D B < -G 33 0B 63 -3,-3.0 -3,-0.9 1,-0.1 2,-0.1 -0.679 65.2-137.6 -96.7 134.9 23.3 22.1 33.7 37 273 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 24,-0.3 -0.360 20.1-102.3 -87.4 161.5 19.7 21.2 33.1 38 274 A L E - D 0 60A 0 22,-3.1 22,-2.4 -7,-0.2 2,-0.4 -0.656 38.0-162.6 -75.4 135.9 17.8 19.7 30.2 39 275 A A E -BD 30 59A 0 -9,-2.9 -9,-2.8 -2,-0.3 2,-0.4 -0.927 11.5-177.6-131.2 107.9 15.9 22.4 28.2 40 276 A F E -BD 29 58A 0 18,-2.8 18,-2.3 -2,-0.4 2,-0.3 -0.852 12.0-172.8 -94.3 138.4 13.0 21.7 25.8 41 277 A V E -BD 28 57A 0 -13,-2.2 -13,-1.9 -2,-0.4 2,-0.4 -0.982 13.4-165.2-134.9 143.6 11.6 24.7 24.0 42 278 A R E +BD 27 56A 31 14,-2.1 13,-2.4 -2,-0.3 14,-1.5 -0.992 17.5 174.4-130.4 122.6 8.6 25.0 21.7 43 279 A W E -BD 26 54A 0 -17,-3.1 -17,-2.7 -2,-0.4 2,-0.4 -0.873 27.8-136.0-124.3 157.9 8.2 28.1 19.5 44 280 A H E -BD 25 53A 15 9,-2.4 9,-2.8 -2,-0.3 2,-0.5 -0.947 23.7-149.2-107.0 139.6 5.8 29.4 16.8 45 281 A Y E - D 0 52A 13 -21,-2.3 2,-0.8 -2,-0.4 7,-0.2 -0.943 10.9-164.6-117.5 121.5 7.6 31.0 13.9 46 282 A D E >>> + D 0 51A 36 5,-2.9 5,-1.7 -2,-0.5 4,-1.0 -0.852 12.0 177.3-103.3 93.3 5.9 33.9 11.9 47 283 A K T 345S+ 0 0 156 -2,-0.8 -1,-0.2 1,-0.2 5,-0.0 0.829 75.5 58.1 -71.4 -32.1 8.1 33.9 8.8 48 284 A R T 345S+ 0 0 249 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.615 119.1 29.9 -76.0 -16.9 6.1 36.7 7.1 49 285 A K T <45S- 0 0 117 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.341 105.7-125.2-115.5 0.0 6.7 39.1 10.0 50 286 A N T <5 + 0 0 64 -4,-1.0 75,-2.8 1,-0.2 76,-0.9 0.852 66.8 125.9 60.4 40.7 10.1 37.7 11.0 51 287 A R E < -De 46 126A 79 -5,-1.7 -5,-2.9 74,-0.2 2,-0.3 -0.903 46.3-150.9-125.5 153.4 9.0 37.1 14.7 52 288 A I E -De 45 127A 0 74,-2.0 76,-3.4 -2,-0.3 2,-0.4 -0.950 6.5-155.9-122.8 149.1 9.1 34.1 17.0 53 289 A Y E -De 44 128A 31 -9,-2.8 -9,-2.4 -2,-0.3 2,-0.6 -0.983 17.8-129.2-127.1 123.6 6.7 33.4 19.9 54 290 A A E +D 43 0A 0 74,-2.9 76,-0.4 -2,-0.4 -11,-0.2 -0.622 29.9 172.8 -73.7 116.6 7.6 31.1 22.9 55 291 A I E - 0 0 11 -13,-2.4 2,-0.3 -2,-0.6 -12,-0.2 0.888 57.7 -22.8 -90.3 -47.4 4.7 28.6 23.3 56 292 A D E -D 42 0A 29 -14,-1.5 -14,-2.1 78,-0.1 -1,-0.3 -0.951 54.7-165.0-157.5 171.4 6.0 26.2 26.1 57 293 A E E -D 41 0A 16 76,-0.4 2,-0.3 -2,-0.3 -16,-0.2 -0.985 13.0-153.7-155.8 160.3 9.2 24.9 27.8 58 294 A L E +D 40 0A 17 -18,-2.3 -18,-2.8 -2,-0.3 2,-0.5 -0.899 15.3 179.1-139.8 116.5 10.5 22.2 30.0 59 295 A V E +D 39 0A 28 -2,-0.3 2,-0.4 -20,-0.2 -20,-0.2 -0.971 8.1 172.6-116.5 131.4 13.6 22.9 32.1 60 296 A D E -D 38 0A 20 -22,-2.4 -22,-3.1 -2,-0.5 3,-0.1 -0.951 25.3-172.6-149.1 111.9 14.9 20.1 34.3 61 297 A H S S+ 0 0 125 -2,-0.4 2,-0.9 -24,-0.3 -1,-0.1 0.677 88.3 62.6 -78.1 -21.9 18.1 19.9 36.4 62 298 A K S S- 0 0 171 -24,-0.1 -1,-0.2 2,-0.1 2,-0.1 -0.823 97.6-139.1-102.8 88.2 17.4 16.2 37.3 63 299 A V + 0 0 67 -2,-0.9 2,-0.4 -3,-0.1 3,-0.1 -0.300 33.1 166.5 -72.1 124.6 17.6 15.0 33.8 64 300 A S > - 0 0 43 1,-0.1 4,-2.1 -2,-0.1 5,-0.1 -0.960 22.4-169.3-137.1 110.2 15.0 12.3 32.9 65 301 A L H > S+ 0 0 31 -2,-0.4 4,-2.9 2,-0.2 5,-0.2 0.895 92.7 56.4 -69.4 -37.0 14.4 11.5 29.3 66 302 A K H > S+ 0 0 120 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.947 108.6 45.7 -54.5 -53.4 11.3 9.5 30.4 67 303 A R H > S+ 0 0 122 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.877 112.4 50.3 -61.8 -40.4 9.8 12.6 32.1 68 304 A T H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.912 112.9 48.0 -61.9 -42.2 10.7 14.8 29.1 69 305 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.897 109.6 51.7 -63.0 -43.3 8.9 12.2 26.9 70 306 A D H X S+ 0 0 66 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.860 111.4 48.7 -63.8 -35.0 5.9 12.0 29.1 71 307 A F H X S+ 0 0 43 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.910 111.0 48.2 -70.9 -47.8 5.6 15.8 29.0 72 308 A V H <>S+ 0 0 2 -4,-2.2 5,-2.9 1,-0.2 4,-0.5 0.942 117.9 41.8 -58.6 -48.6 5.9 16.0 25.2 73 309 A R H ><5S+ 0 0 84 -4,-2.5 3,-1.2 3,-0.2 -2,-0.2 0.925 111.2 55.2 -66.6 -42.9 3.3 13.3 24.7 74 310 A K H 3<5S+ 0 0 188 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.897 114.5 40.6 -57.6 -42.9 0.9 14.6 27.5 75 311 A N T 3<5S- 0 0 64 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.440 113.6-117.9 -84.8 -2.2 0.8 18.0 25.8 76 312 A K T < 5S+ 0 0 164 -3,-1.2 3,-0.3 -4,-0.5 -3,-0.2 0.888 70.2 136.4 66.1 43.2 0.6 16.5 22.2 77 313 A Y > < + 0 0 27 -5,-2.9 3,-0.6 -6,-0.2 -4,-0.2 0.383 46.5 84.2 -98.8 0.1 3.9 18.1 21.1 78 314 A E T 3 S+ 0 0 62 -6,-0.5 25,-0.2 1,-0.2 -1,-0.2 0.541 71.3 75.1 -84.0 -8.6 5.2 15.0 19.3 79 315 A S T 3 S+ 0 0 77 -3,-0.3 2,-0.3 2,-0.1 -1,-0.2 0.803 93.8 66.9 -67.2 -27.5 3.4 15.7 16.1 80 316 A A S < S- 0 0 18 -3,-0.6 23,-0.2 -4,-0.1 -54,-0.1 -0.685 97.0-102.4 -93.7 148.0 6.0 18.4 15.6 81 317 A R - 0 0 121 -2,-0.3 -54,-0.6 -56,-0.2 2,-0.4 -0.300 26.0-150.3 -62.2 145.9 9.8 17.7 15.0 82 318 A I E -cf 27 104A 5 21,-2.8 23,-2.3 -56,-0.1 2,-0.6 -0.980 1.7-158.0-120.2 117.9 12.3 18.1 17.8 83 319 A I E -cf 28 105A 5 -56,-2.0 -54,-1.5 -2,-0.4 2,-0.3 -0.860 24.4-163.8 -93.3 120.2 15.9 19.1 16.8 84 320 A A E -cf 29 106A 0 21,-3.2 23,-2.5 -2,-0.6 -54,-0.2 -0.815 30.0 -86.3-114.8 142.3 18.2 18.0 19.7 85 321 A D > - 0 0 17 -56,-2.8 3,-0.9 -2,-0.3 7,-0.1 -0.190 38.1-149.3 -31.5 113.9 21.7 18.7 21.0 86 322 A S T 3 S+ 0 0 65 1,-0.2 -1,-0.1 23,-0.2 20,-0.1 0.267 79.3 85.7 -88.8 10.7 23.9 16.2 19.0 87 323 A S T 3 S+ 0 0 84 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.605 90.0 52.8 -81.0 -13.0 26.6 15.6 21.6 88 324 A E X> + 0 0 46 -3,-0.9 4,-1.7 1,-0.1 3,-0.8 -0.617 64.4 167.3-121.1 70.0 24.4 12.9 23.2 89 325 A P H 3> S+ 0 0 81 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.755 77.9 51.5 -58.1 -27.4 23.6 10.6 20.3 90 326 A R H 3> S+ 0 0 188 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.740 103.3 56.1 -83.9 -28.0 22.3 7.9 22.7 91 327 A S H <> S+ 0 0 24 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.890 110.2 47.1 -63.6 -42.0 20.0 10.2 24.5 92 328 A I H X S+ 0 0 18 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.901 112.7 49.8 -61.5 -44.4 18.5 11.0 21.1 93 329 A D H X>S+ 0 0 59 -4,-1.5 4,-2.9 -5,-0.2 5,-0.6 0.903 110.8 50.4 -57.9 -44.3 18.4 7.2 20.5 94 330 A A H X>S+ 0 0 15 -4,-2.4 4,-1.9 1,-0.2 5,-1.7 0.928 107.9 50.1 -67.7 -44.7 16.7 6.6 23.8 95 331 A L H <5S+ 0 0 3 -4,-2.5 6,-2.3 3,-0.2 4,-0.5 0.937 120.1 39.2 -57.7 -43.3 14.0 9.2 23.3 96 332 A K H X5S+ 0 0 92 -4,-1.9 4,-0.9 4,-0.2 -2,-0.2 0.987 129.1 24.2 -70.2 -64.8 13.2 7.7 19.9 97 333 A L H <5S+ 0 0 153 -4,-2.9 -3,-0.2 2,-0.1 -2,-0.2 0.789 132.9 35.9 -77.8 -29.5 13.5 3.9 20.4 98 334 A E T < + 0 0 4 -6,-2.3 3,-1.0 1,-0.2 -1,-0.2 -0.683 23.3 177.2 -84.4 87.4 9.4 10.4 20.4 102 338 A N T 3 + 0 0 114 -2,-1.5 -1,-0.2 1,-0.3 -6,-0.1 0.733 67.3 54.4 -67.2 -27.0 9.6 9.4 16.7 103 339 A R T 3 S+ 0 0 151 -25,-0.2 -21,-2.8 -23,-0.2 2,-0.3 -0.079 75.9 119.3-106.5 33.1 10.4 12.9 15.4 104 340 A I E < +f 82 0A 5 -3,-1.0 2,-0.3 -23,-0.2 -21,-0.2 -0.772 36.3 167.8 -92.1 142.0 13.5 13.7 17.4 105 341 A E E -f 83 0A 56 -23,-2.3 -21,-3.2 -2,-0.3 2,-0.1 -0.992 34.1 -93.8-154.7 156.2 16.7 14.3 15.5 106 342 A G E -f 84 0A 27 -2,-0.3 2,-0.2 -23,-0.2 -21,-0.2 -0.380 42.7-101.2 -74.3 142.2 20.3 15.6 16.0 107 343 A A - 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