Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKIWNSIVGKIWSTIILLLIGILVISGFLVAMIYEKNNITRITNELEDKTASIITVMQENNEVISAENNNDSALILLDDTMGVIIEQNGKSVYQSQSPDTISSASANKLIQDKTLDKALEKDNSVTMKYNFKTEKSSLPVEISAQKFKLANGETGVVYVYQSYHDILKVNEKTMSTLIISGIIAIVITSILSFVFSSRMAFPLREMKKIAIAVSKGNFDNRVPTYTHDEIGELGVAFNDMAKQLKYNVSALRQEKEQLSNILVGMADGVIKFSVDKTIILSNPPAEEFLHNWFFSPENTEKVLIPVALNELLNDTLEKKESQVGEITFADHTYVAILTLLYTGEHVRSIVAVIRDMTEEKQLEK------MKSDFVNNVSHELRTPISMLQGYSEAIIDGVAQSD-EEVREFAQIIYDESLRIGRLVNDMLDLARMEAGFNQMDNQKLPLAPLLRKVISNFDVLAKENFVELGLELETP-DLEYSYDPDRMEQVLINLIMNAIRHTGKEGYDGKVILKQTIDVARSNLVITVSDNGSGIAEEDIPYLFERFYKVDKARKRGKAVGTGIGLAIVKNIVEAHNGKISVESELGKGSDFIITLPLYK |
4JAV Chain:A ((3-246)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NVTESKELERLKRIDRMKTEFIANISHELRTPLTAIKAYAETIYNSLGELDLSTLKEFLEVIIDQSNHLENLLNELLDFSRLERKSLQINREKVDLCDLVESAVNAIKEFASSHNVNVLFESNVPCPVEAYIDPTRIRQVLLNLLNNGVKYSKKDAPDKYV--KVILDEKDGGVLIIVEDNGIGIPDHAKDRIFEQFYRVDSSLTY-EVPGTGLGLAITKEIVELHGGRIWVESEVGKGSRFFVWIP--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4JAV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -89738 for 1662 contacts (-54.0/contact) +
2D Compatibility (PS) -25418 + (NN) -7485 + (LL) 28512
1D Compatibility (HY) -21600 + (ID) 4550
Total energy: -120279.0 ( -72.37 by residue)
QMean score : 0.516
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