Monday, September 23 2024 13:19:25
UNRES
1.58s
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CTEST_FULL_OUTPUT JESTEM T 2010171280 1 T 2010171280 5 T 2010171280 8 T 2010171280 10 T 2010171280 11 T 2010171280 12 T 2010171280 15 T 2010171280 16 T 2010171280 19 T 2010171280 20 T 2010171280 22 T 2010171280 23 T 2010171280 24 T 2010171280 26 T 2010171280 27 T 2010171280 28 T 2010171280 30 T 2010171280 34 T 2010171280 35 T 2010171280 36 T 2010171280 39 T 2010171280 41 T 2010171280 44 T 2010171280 45 T 2010171280 52 T 2010171280 60 T 2010171280 62 T 2010171280 68 T 2010171280 73 T 2010171280 74 T 2010171280 75 T 2010171280 76 T 2010171280 77 T 2010171280 83 T 2010171280 87 T 2010171280 91 T 2010171280 97 T 2010171280 98 T 2010171280 104 T 2010171280 110 T 2010171280 111 T 2010171280 113 T 2010171280 114 T 2010171280 115 T 2010171280 117 T 2010171280 121 T 2010171280 124 T 2010171280 128 T 2010171280 129 T 2010171280 134 T 2010171280 137 T 2010171280 138 T 2010171280 141 T 2010171280 146 T 2010171280 147 T 2010171280 151 T 2010171280 155 T 2010171280 161 T 2010171280 164 T 2010171280 175 T 2010171280 177 T 2010171280 178 T 2010171280 183 T 2010171280 186 T 2010171280 193 T 2010171280 196 T 2010171280 205 T 2010171280 211 T 2010171280 216 T 2010171280 219 T 2010171280 220 T 2010171280 221 T 2010171280 226 T 2010171280 229 T 2010171280 231 T 2010171280 234 T 2010171280 238 T 2010171280 250 T 2010171280 252 T 2010171280 257 T 2010171280 259 T 2010171280 261 T 2010171280 265 T 2010171280 269 T 2010171280 271 T 2010171280 277 T 2010171280 278 T 2010171280 283 T 2010171280 291 T 2010171280 294 T 2010171280 298 T 2010171280 299 T 2010171280 303 T 2010171280 307 T 2010171280 312 T 2010171280 316 T 2010171280 318 T 2010171280 319 T 2010171280 323 T 2010171280 327 T 2010171280 331 T 2010171280 338 T 2010171280 344 T 2010171280 346 T 2010171280 347 T 2010171280 353 T 2010171280 355 T 2010171280 356 T 2010171280 358 T 2010171280 359 T 2010171280 362 T 2010171280 373 T 2010171280 374 T 2010171280 378 T 2010171280 386 T 2010171280 389 T 2010171280 394 T 2010171280 405 T 2010171280 413 T 2010171280 416 T 2010171280 420 T 2010171280 429 T 2010171280 439 T 2010171280 440 T 2010171280 441 T 2010171280 447 T 2010171280 448 T 2010171280 453 T 2010171280 478 T 2010171280 479 T 2010171280 489 T 2010171280 499 T 2010171280 510 T 2010171280 513 T 2010171280 537 T 2010171280 538 T 2010171280 544 T 2010171280 545 T 2010171280 552 T 2010171280 554 T 2010171280 560 T 2010171280 563 T 2010171280 571 T 2010171280 2 T 2010171280 6 T 2010171280 9 T 2010171280 17 T 2010171280 29 T 2010171280 31 T 2010171280 40 T 2010171280 47 T 2010171280 49 T 2010171280 55 T 2010171280 57 T 2010171280 66 T 2010171280 70 T 2010171280 81 T 2010171280 82 T 2010171280 84 T 2010171280 89 T 2010171280 90 T 2010171280 92 T 2010171280 93 T 2010171280 94 T 2010171280 100 T 2010171280 101 T 2010171280 107 T 2010171280 118 T 2010171280 119 T 2010171280 120 T 2010171280 123 T 2010171280 125 T 2010171280 131 T 2010171280 132 T 2010171280 133 T 2010171280 143 T 2010171280 145 T 2010171280 150 T 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T 2010171280 398 T 2010171280 403 T 2010171280 419 T 2010171280 423 T 2010171280 428 T 2010171280 436 T 2010171280 445 T 2010171280 452 T 2010171280 456 T 2010171280 457 T 2010171280 459 T 2010171280 461 T 2010171280 462 T 2010171280 463 T 2010171280 464 T 2010171280 467 T 2010171280 471 T 2010171280 475 T 2010171280 476 T 2010171280 497 T 2010171280 498 T 2010171280 500 T 2010171280 506 T 2010171280 507 T 2010171280 511 T 2010171280 521 T 2010171280 530 T 2010171280 534 T 2010171280 539 T 2010171280 550 T 2010171280 551 T 2010171280 559 T 2010171280 568 T 2010171280 575 T 2010171280 3 T 2010171280 21 T 2010171280 33 T 2010171280 43 T 2010171280 51 T 2010171280 54 T 2010171280 58 T 2010171280 64 T 2010171280 67 T 2010171280 69 T 2010171280 71 T 2010171280 79 T 2010171280 85 T 2010171280 96 T 2010171280 99 T 2010171280 102 T 2010171280 122 T 2010171280 126 T 2010171280 127 T 2010171280 130 T 2010171280 135 T 2010171280 140 T 2010171280 142 T 2010171280 148 T 2010171280 149 T 2010171280 154 T 2010171280 165 T 2010171280 167 T 2010171280 168 T 2010171280 171 T 2010171280 176 T 2010171280 179 T 2010171280 181 T 2010171280 192 T 2010171280 197 T 2010171280 198 T 2010171280 199 T 2010171280 201 T 2010171280 206 T 2010171280 208 T 2010171280 209 T 2010171280 212 T 2010171280 214 T 2010171280 215 T 2010171280 217 T 2010171280 223 T 2010171280 227 T 2010171280 233 T 2010171280 236 T 2010171280 242 T 2010171280 243 T 2010171280 245 T 2010171280 260 T 2010171280 267 T 2010171280 268 T 2010171280 276 T 2010171280 280 T 2010171280 289 T 2010171280 292 T 2010171280 297 T 2010171280 300 T 2010171280 302 T 2010171280 311 T 2010171280 314 T 2010171280 322 T 2010171280 329 T 2010171280 341 T 2010171280 343 T 2010171280 345 T 2010171280 349 T 2010171280 357 T 2010171280 363 T 2010171280 366 T 2010171280 368 T 2010171280 371 T 2010171280 375 T 2010171280 385 T 2010171280 391 T 2010171280 400 T 2010171280 402 T 2010171280 404 T 2010171280 406 T 2010171280 409 T 2010171280 410 T 2010171280 412 T 2010171280 415 T 2010171280 424 T 2010171280 432 T 2010171280 433 T 2010171280 434 T 2010171280 437 T 2010171280 442 T 2010171280 443 T 2010171280 444 T 2010171280 446 T 2010171280 449 T 2010171280 460 T 2010171280 469 T 2010171280 473 T 2010171280 477 T 2010171280 487 T 2010171280 492 T 2010171280 509 T 2010171280 512 T 2010171280 517 T 2010171280 519 T 2010171280 523 T 2010171280 524 T 2010171280 526 T 2010171280 528 T 2010171280 533 T 2010171280 540 T 2010171280 541 T 2010171280 542 T 2010171280 546 T 2010171280 548 T 2010171280 553 T 2010171280 556 T 2010171280 558 T 2010171280 564 T 2010171280 566 T 2010171280 572 T 2010171280 573 T 2010171280 4 T 2010171280 7 T 2010171280 13 T 2010171280 14 T 2010171280 18 T 2010171280 37 T 2010171280 38 T 2010171280 48 T 2010171280 50 T 2010171280 53 T 2010171280 56 T 2010171280 59 T 2010171280 61 T 2010171280 65 T 2010171280 72 T 2010171280 78 T 2010171280 86 T 2010171280 95 T 2010171280 109 T 2010171280 112 T 2010171280 116 T 2010171280 136 T 2010171280 156 T 2010171280 157 T 2010171280 158 T 2010171280 160 T 2010171280 169 T 2010171280 184 T 2010171280 187 T 2010171280 188 T 2010171280 189 T 2010171280 190 T 2010171280 195 T 2010171280 200 T 2010171280 202 T 2010171280 218 T 2010171280 224 T 2010171280 225 T 2010171280 230 T 2010171280 237 T 2010171280 248 T 2010171280 253 T 2010171280 255 T 2010171280 263 T 2010171280 264 T 2010171280 266 T 2010171280 274 T 2010171280 282 T 2010171280 287 T 2010171280 293 T 2010171280 295 T 2010171280 304 T 2010171280 309 T 2010171280 310 T 2010171280 320 T 2010171280 328 T 2010171280 334 T 2010171280 335 T 2010171280 339 T 2010171280 340 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 2010171280 342 T 2010171280 348 T 2010171280 354 T 2010171280 360 T 2010171280 365 T 2010171280 367 T 2010171280 372 T 2010171280 381 T 2010171280 383 T 2010171280 384 T 2010171280 392 T 2010171280 396 T 2010171280 397 T 2010171280 401 T 2010171280 408 T 2010171280 411 T 2010171280 417 T 2010171280 418 T 2010171280 421 T 2010171280 422 T 2010171280 430 T 2010171280 435 T 2010171280 458 T 2010171280 465 T 2010171280 468 T 2010171280 470 T 2010171280 472 T 2010171280 474 T 2010171280 480 T 2010171280 482 T 2010171280 483 T 2010171280 488 T 2010171280 490 T 2010171280 491 T 2010171280 494 T 2010171280 496 T 2010171280 501 T 2010171280 502 T 2010171280 504 T 2010171280 508 T 2010171280 516 T 2010171280 518 T 2010171280 520 T 2010171280 525 T 2010171280 527 T 2010171280 529 T 2010171280 532 T 2010171280 535 T 2010171280 543 T 2010171280 555 T 2010171280 565 T 2010171280 569 T 2010171280 570 T 2010171280 25 T 2010171280 32 T 2010171280 42 T 2010171280 46 T 2010171280 63 T 2010171280 80 T 2010171280 88 T 2010171280 103 T 2010171280 105 T 2010171280 106 T 2010171280 108 T 2010171280 139 T 2010171280 144 T 2010171280 163 T 2010171280 170 T 2010171280 174 T 2010171280 185 T 2010171280 239 T 2010171280 244 T 2010171280 247 T 2010171280 249 T 2010171280 254 T 2010171280 306 T 2010171280 313 T 2010171280 317 T 2010171280 326 T 2010171280 332 T 2010171280 351 T 2010171280 352 T 2010171280 361 T 2010171280 364 T 2010171280 376 T 2010171280 382 T 2010171280 390 T 2010171280 393 T 2010171280 399 T 2010171280 407 T 2010171280 414 T 2010171280 425 T 2010171280 426 T 2010171280 427 T 2010171280 431 T 2010171280 438 T 2010171280 450 T 2010171280 451 T 2010171280 454 T 2010171280 455 T 2010171280 466 T 2010171280 481 T 2010171280 484 T 2010171280 485 T 2010171280 486 T 2010171280 493 T 2010171280 495 T 2010171280 503 T 2010171280 505 T 2010171280 514 T 2010171280 515 T 2010171280 522 T 2010171280 531 T 2010171280 536 T 2010171280 547 T 2010171280 549 T 2010171280 557 T 2010171280 561 T 2010171280 562 T 2010171280 567 T 2010171280 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
