Friday, September 20 2024 16:42:59
UNRES
0.82s
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CTEST_FULL_OUTPUT JESTEM T 1928443744 1 T 1928443744 5 T 1928443744 8 T 1928443744 10 T 1928443744 11 T 1928443744 12 T 1928443744 15 T 1928443744 16 T 1928443744 19 T 1928443744 20 T 1928443744 22 T 1928443744 23 T 1928443744 24 T 1928443744 26 T 1928443744 27 T 1928443744 28 T 1928443744 30 T 1928443744 34 T 1928443744 35 T 1928443744 36 T 1928443744 39 T 1928443744 41 T 1928443744 44 T 1928443744 45 T 1928443744 52 T 1928443744 60 T 1928443744 62 T 1928443744 68 T 1928443744 73 T 1928443744 74 T 1928443744 75 T 1928443744 76 T 1928443744 77 T 1928443744 83 T 1928443744 87 T 1928443744 91 T 1928443744 97 T 1928443744 98 T 1928443744 104 T 1928443744 110 T 1928443744 111 T 1928443744 113 T 1928443744 114 T 1928443744 115 T 1928443744 117 T 1928443744 121 T 1928443744 124 T 1928443744 128 T 1928443744 129 T 1928443744 134 T 1928443744 137 T 1928443744 138 T 1928443744 141 T 1928443744 146 T 1928443744 147 T 1928443744 151 T 1928443744 155 T 1928443744 161 T 1928443744 164 T 1928443744 175 T 1928443744 177 T 1928443744 178 T 1928443744 183 T 1928443744 186 T 1928443744 193 T 1928443744 196 T 1928443744 205 T 1928443744 211 T 1928443744 216 T 1928443744 219 T 1928443744 220 T 1928443744 221 T 1928443744 226 T 1928443744 229 T 1928443744 231 T 1928443744 234 T 1928443744 238 T 1928443744 250 T 1928443744 252 T 1928443744 257 T 1928443744 259 T 1928443744 261 T 1928443744 265 T 1928443744 269 T 1928443744 271 T 1928443744 277 T 1928443744 278 T 1928443744 283 T 1928443744 291 T 1928443744 294 T 1928443744 298 T 1928443744 299 T 1928443744 303 T 1928443744 307 T 1928443744 312 T 1928443744 316 T 1928443744 318 T 1928443744 319 T 1928443744 323 T 1928443744 327 T 1928443744 331 T 1928443744 338 T 1928443744 344 T 1928443744 346 T 1928443744 347 T 1928443744 353 T 1928443744 355 T 1928443744 356 T 1928443744 358 T 1928443744 359 T 1928443744 362 T 1928443744 373 T 1928443744 374 T 1928443744 378 T 1928443744 386 T 1928443744 389 T 1928443744 394 T 1928443744 405 T 1928443744 413 T 1928443744 416 T 1928443744 420 T 1928443744 429 T 1928443744 439 T 1928443744 440 T 1928443744 441 T 1928443744 447 T 1928443744 448 T 1928443744 453 T 1928443744 478 T 1928443744 479 T 1928443744 489 T 1928443744 499 T 1928443744 510 T 1928443744 513 T 1928443744 537 T 1928443744 538 T 1928443744 544 T 1928443744 545 T 1928443744 552 T 1928443744 554 T 1928443744 560 T 1928443744 563 T 1928443744 571 T 1928443744 2 T 1928443744 6 T 1928443744 9 T 1928443744 17 T 1928443744 29 T 1928443744 31 T 1928443744 40 T 1928443744 47 T 1928443744 49 T 1928443744 55 T 1928443744 57 T 1928443744 66 T 1928443744 70 T 1928443744 81 T 1928443744 82 T 1928443744 84 T 1928443744 89 T 1928443744 90 T 1928443744 92 T 1928443744 93 T 1928443744 94 T 1928443744 100 T 1928443744 101 T 1928443744 107 T 1928443744 118 T 1928443744 119 T 1928443744 120 T 1928443744 123 T 1928443744 125 T 1928443744 131 T 1928443744 132 T 1928443744 133 T 1928443744 143 T 1928443744 145 T 1928443744 150 T 1928443744 152 T 1928443744 153 T 1928443744 159 T 1928443744 162 T 1928443744 166 T 1928443744 172 T 1928443744 173 T 1928443744 180 T 1928443744 182 T 1928443744 191 T 1928443744 194 T 1928443744 203 T 1928443744 204 T 1928443744 207 T 1928443744 210 T 1928443744 213 T 1928443744 222 T 1928443744 228 T 1928443744 232 T 1928443744 235 T 1928443744 240 T 1928443744 241 T 1928443744 246 T 1928443744 251 T 1928443744 256 T 1928443744 258 T 1928443744 262 T 1928443744 270 T 1928443744 272 T 1928443744 273 T 1928443744 275 T 1928443744 279 T 1928443744 281 T 1928443744 284 T 1928443744 285 T 1928443744 286 T 1928443744 288 T 1928443744 290 T 1928443744 296 T 1928443744 301 T 1928443744 305 T 1928443744 308 T 1928443744 315 T 1928443744 321 T 1928443744 324 T 1928443744 325 T 1928443744 330 T 1928443744 333 T 1928443744 336 T 1928443744 337 T 1928443744 350 T 1928443744 369 T 1928443744 370 T 1928443744 377 T 1928443744 379 T 1928443744 380 T 1928443744 387 T 1928443744 388 T 1928443744 395 T 1928443744 398 T 1928443744 403 T 1928443744 419 T 1928443744 423 T 1928443744 428 T 1928443744 436 T 1928443744 445 T 1928443744 452 T 1928443744 456 T 1928443744 457 T 1928443744 459 T 1928443744 461 T 1928443744 462 T 1928443744 463 T 1928443744 464 T 1928443744 467 T 1928443744 471 T 1928443744 475 T 1928443744 476 T 1928443744 497 T 1928443744 498 T 1928443744 500 T 1928443744 506 T 1928443744 507 T 1928443744 511 T 1928443744 521 T 1928443744 530 T 1928443744 534 T 1928443744 539 T 1928443744 550 T 1928443744 551 T 1928443744 559 T 1928443744 568 T 1928443744 575 T 1928443744 3 T 1928443744 21 T 1928443744 33 T 1928443744 43 T 1928443744 51 T 1928443744 54 T 1928443744 58 T 1928443744 64 T 1928443744 67 T 1928443744 69 T 1928443744 71 T 1928443744 79 T 1928443744 85 T 1928443744 96 T 1928443744 99 T 1928443744 102 T 1928443744 122 T 1928443744 126 T 1928443744 127 T 1928443744 130 T 1928443744 135 T 1928443744 140 T 1928443744 142 T 1928443744 148 T 1928443744 149 T 1928443744 154 T 1928443744 165 T 1928443744 167 T 1928443744 168 T 1928443744 171 T 1928443744 176 T 1928443744 179 T 1928443744 181 T 1928443744 192 T 1928443744 197 T 1928443744 198 T 1928443744 199 T 1928443744 201 T 1928443744 206 T 1928443744 208 T 1928443744 209 T 1928443744 212 T 1928443744 214 T 1928443744 215 T 1928443744 217 T 1928443744 223 T 1928443744 227 T 1928443744 233 T 1928443744 236 T 1928443744 242 T 1928443744 243 T 1928443744 245 T 1928443744 260 T 1928443744 267 T 1928443744 268 T 1928443744 276 T 1928443744 280 T 1928443744 289 T 1928443744 292 T 1928443744 297 T 1928443744 300 T 1928443744 302 T 1928443744 311 T 1928443744 314 T 1928443744 322 T 1928443744 329 T 1928443744 341 T 1928443744 343 T 1928443744 345 T 1928443744 349 T 1928443744 357 T 1928443744 363 T 1928443744 366 T 1928443744 368 T 1928443744 371 T 1928443744 375 T 1928443744 385 T 1928443744 391 T 1928443744 400 T 1928443744 402 T 1928443744 404 T 1928443744 406 T 1928443744 409 T 1928443744 410 T 1928443744 412 T 1928443744 415 T 1928443744 424 T 1928443744 432 T 1928443744 433 T 1928443744 434 T 1928443744 437 T 1928443744 442 T 1928443744 443 T 1928443744 444 T 1928443744 446 T 1928443744 449 T 1928443744 460 T 1928443744 469 T 1928443744 473 T 1928443744 477 T 1928443744 487 T 1928443744 492 T 1928443744 509 T 1928443744 512 T 1928443744 517 T 1928443744 519 T 1928443744 523 T 1928443744 524 T 1928443744 526 T 1928443744 528 T 1928443744 533 T 1928443744 540 T 1928443744 541 T 1928443744 542 T 1928443744 546 T 1928443744 548 T 1928443744 553 T 1928443744 556 T 1928443744 558 T 1928443744 564 T 1928443744 566 T 1928443744 572 T 1928443744 573 T 1928443744 4 T 1928443744 7 T 1928443744 13 T 1928443744 14 T 1928443744 18 T 1928443744 37 T 1928443744 38 T 1928443744 48 T 1928443744 50 T 1928443744 53 T 1928443744 56 T 1928443744 59 T 1928443744 61 T 1928443744 65 T 1928443744 72 T 1928443744 78 T 1928443744 86 T 1928443744 95 T 1928443744 109 T 1928443744 112 T 1928443744 116 T 1928443744 136 T 1928443744 156 T 1928443744 157 T 1928443744 158 T 1928443744 160 T 1928443744 169 T 1928443744 184 T 1928443744 187 T 1928443744 188 T 1928443744 189 T 1928443744 190 T 1928443744 195 T 1928443744 200 T 1928443744 202 T 1928443744 218 T 1928443744 224 T 1928443744 225 T 1928443744 230 T 1928443744 237 T 1928443744 248 T 1928443744 253 T 1928443744 255 T 1928443744 263 T 1928443744 264 T 1928443744 266 T 1928443744 274 T 1928443744 282 T 1928443744 287 T 1928443744 293 T 1928443744 295 T 1928443744 304 T 1928443744 309 T 1928443744 310 T 1928443744 320 T 1928443744 328 T 1928443744 334 T 1928443744 335 T 1928443744 339 T 1928443744 340 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 1928443744 342 T 1928443744 348 T 1928443744 354 T 1928443744 360 T 1928443744 365 T 1928443744 367 T 1928443744 372 T 1928443744 381 T 1928443744 383 T 1928443744 384 T 1928443744 392 T 1928443744 396 T 1928443744 397 T 1928443744 401 T 1928443744 408 T 1928443744 411 T 1928443744 417 T 1928443744 418 T 1928443744 421 T 1928443744 422 T 1928443744 430 T 1928443744 435 T 1928443744 458 T 1928443744 465 T 1928443744 468 T 1928443744 470 T 1928443744 472 T 1928443744 474 T 1928443744 480 T 1928443744 482 T 1928443744 483 T 1928443744 488 T 1928443744 490 T 1928443744 491 T 1928443744 494 T 1928443744 496 T 1928443744 501 T 1928443744 502 T 1928443744 504 T 1928443744 508 T 1928443744 516 T 1928443744 518 T 1928443744 520 T 1928443744 525 T 1928443744 527 T 1928443744 529 T 1928443744 532 T 1928443744 535 T 1928443744 543 T 1928443744 555 T 1928443744 565 T 1928443744 569 T 1928443744 570 T 1928443744 25 T 1928443744 32 T 1928443744 42 T 1928443744 46 T 1928443744 63 T 1928443744 80 T 1928443744 88 T 1928443744 103 T 1928443744 105 T 1928443744 106 T 1928443744 108 T 1928443744 139 T 1928443744 144 T 1928443744 163 T 1928443744 170 T 1928443744 174 T 1928443744 185 T 1928443744 239 T 1928443744 244 T 1928443744 247 T 1928443744 249 T 1928443744 254 T 1928443744 306 T 1928443744 313 T 1928443744 317 T 1928443744 326 T 1928443744 332 T 1928443744 351 T 1928443744 352 T 1928443744 361 T 1928443744 364 T 1928443744 376 T 1928443744 382 T 1928443744 390 T 1928443744 393 T 1928443744 399 T 1928443744 407 T 1928443744 414 T 1928443744 425 T 1928443744 426 T 1928443744 427 T 1928443744 431 T 1928443744 438 T 1928443744 450 T 1928443744 451 T 1928443744 454 T 1928443744 455 T 1928443744 466 T 1928443744 481 T 1928443744 484 T 1928443744 485 T 1928443744 486 T 1928443744 493 T 1928443744 495 T 1928443744 503 T 1928443744 505 T 1928443744 514 T 1928443744 515 T 1928443744 522 T 1928443744 531 T 1928443744 536 T 1928443744 547 T 1928443744 549 T 1928443744 557 T 1928443744 561 T 1928443744 562 T 1928443744 567 T 1928443744 574 THERE ARE 5 FAMILIES OF CONFORMATIONS 1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -3.63351E+00 AVE RMSD 3.31 1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering ENERGY -1.18055E+00 RMS 2.81 1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -3.49023E+00 AVE RMSD 2.71 1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering ENERGY -1.17937E+00 RMS 2.35 1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -3.39328E+00 AVE RMSD 3.24 1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering ENERGY -1.17917E+00 RMS 3.08 1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -3.33458E+00 AVE RMSD 2.85 1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering ENERGY -1.17823E+00 RMS 3.03 1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -2.95461E+00 AVE RMSD 5.18 1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering ENERGY -1.17076E+00 RMS 4.94
