Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRRSPKGSPGAVLDLQRRVDQAVSADHAELMTIAKDANTFFGAESVQDPYPLYERMRAAGSVHRIAN---SDFYAVCGWDAVNEAIGRPEDFSSNLTATMTYTAEGTAKPFEMDPLGGPTHVLATADDPAHAVHRKLVLRHLAAKRIRVMEQFTVQAADRLWVDGM---QDGCIEWMGAMANRLPMMVVAELIGLPDPDIAQLVKWGYAATQLLEGLVENDQLVAAGVALMELSGYIFEQFDRAAADPRDNLLGELATACASGELDTLTAQV---MMVTLFAAGGESTAALLGSAVWILATRPDIQQQVRANPELLGAFIEETLRYEPPFRG-HYRHVRNATTLDGTELPADSHLLLLWGAANRDPAQFEAPGEFRLDRAGGKGHISFGKGAHFCVGAALARLEARIVLRLLLDRTSVIEAADVGG----WLPSILVRRIERLELAVQ |
2WHW Chain:B ((40-423)) | ----------------------------------------LGQDFAADPYPTYARLRAEGPAHRVRTPEGNEVWLVVGYDRARAVLADPR-FSKDWRNSTTPLTEAEA---------ALNHNMLESDPPRHTRLRKLVAREFTMRRVELLRPRVQEIVDGL-VDAMLAAPDGRADLMESLAWPLPITVISELLGVPEPDRAAFRVW-------TDAFVFPDDPAQAQTAMAEMSGYLSRLIDSKRGQDGEDLLSALVR-TSDEDGSRLTSEELLGMAHILLVAGHETTVNLIANGMYALLSHPDQLAALRADMTLLDGAVEEMLRYEGPVESATYRFPVEPVDLDGTVIPAGDTVLVVLADAHRTPERFPDPHRFDI-RRDTAGHLAFGHGIHFCIGAPLARLEARIAVRALLERCPDL-ALDVSPGELVWYPNPMIRGLKALPI--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2WHW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -253890 for 2994 contacts (-84.8/contact) +
2D Compatibility (PS) -40084 + (NN) -23606 + (LL) 4068
1D Compatibility (HY) -22800 + (ID) 6550
Total energy: -342862.0 ( -114.52 by residue)
QMean score : 0.483
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