Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKIWNSIVGKIWSTIILLLIGILVISGFLVAMIYEKNNITRITNELEDKTASIITVMQENNEVISAENNNDSALILLDDTMGVIIEQNGKSVYQSQSPDTISSASANKLIQDKTLDKALEKDNSVTMKYNFKTEKSSLPVEISAQKFKLANGETGVVYVYQSYHDILKVNEKTMSTLIISGIIAIVITSILSFVFSSRMAFPLREMKKIAIAVSKGNFDNRVPTYTHDEIGELGVAFNDMAKQLKYNVSALRQEKEQLSNILVGMADGVIKFSVDKTIILSNPPAEEFLHNWFFSPENTEKVLIPVALNELLNDTLEKKESQVGEITFADHTYVAILTLLYTGEHVRSIVAVIRDMTEEKQLEK------MKSDFVNNVSHELRTPISMLQGYSEAIIDGVAQSD-EEVREFAQIIYDESLRIGRLVNDMLDLARMEAGFNQMDNQKLPLAPLLRKVISNFDVLAKENFVELGLELETP-DLEYSYDPDRMEQVLINLIMNAIRHTGKEGYDGKVILKQTIDVARSNLVITVSDNGSGIAEEDIPYLFERFYKVDKARKRGKAVGTGIGLAIVKNIVEAHNGKISVESELGKGSDFIITLPLYK |
2C2A Chain:A ((1-246)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MENVTESKELERLKRIDRMKTEFIANISHELRTPLTAIKAYAETIYNSLGELDLSTLKEFLEVIIDQSNHLENLLNELLDFSRLERKSLQINREKVDLCDLVESAVNAIKEFASSHNVNVLFESNVPCPVEAYIDPTRIRQVLLNLLNNGVKYSKKDAPDKYV--KVILDEKDGGVLIIVEDNGIGIPDHAKDRIFEQFYRVD----------TGLGLAITKEIVELHGGRIWVESEVGKGSRFFVWIP--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2C2A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -98365 for 1576 contacts (-62.4/contact) +
2D Compatibility (PS) -24718 + (NN) -7380 + (LL) 28908
1D Compatibility (HY) -22400 + (ID) 4500
Total energy: -128455.0 ( -81.51 by residue)
QMean score : 0.472
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