Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKIWNSIVGKIWSTIILLLIGILVISGFLVAMIYEKNNITRITNELEDKTASIITVMQENNEVISAENNNDSALILLDDTMGVIIEQNGKSVYQSQSPDTISSASANKLIQDKTLDKALEKDNSVTMKYNFKTEKSSLPVEISAQKFKLANGETGVVYVYQSYHDILKVNEKTMSTLIISGIIAIVITSILSFVFSSRMAFPLREMKKIAIAVSKGNFDNRVPTYTHDEIGELGVAFNDMAKQLKYNVSALRQEKEQLSNILVGMADGVIKFSVDKTIILSNPPAEEFLHNWFFSPENTEKVLIPVALNELLNDTLEKKESQVGEITFADHTYVAILTLLYTGEHVRSIVAVIRDMTEEKQLEKMKSDFVNNVSHELRTPISMLQGYSEAIIDGVAQSDEEVREFAQIIYDESLRIGRLVNDMLDLARMEAGFNQMDNQKLPLAPLLRKVISNFDVLAKENFVELGLELETPDLEYSYDPDRMEQVLINLIMNAIRHTGKEGYDGKVILKQTIDVARSNLVITVSDNGSGIAEEDIPYLFERFYKVDKARKRGKAVGTGIGLAIVKNIVE-AHNGKISVESELGKGSDFIITLPLYK |
3A0Y Chain:A ((607-751)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TEFNLNELIREVYVLFEEKIRKMNIDFCFETDNEDLRVEADRTRIKQVLINLVQNAIEATGENGKI---KITSE--DMYTKVRVSVWNSGPPIPEELKEKIFSPFFTTK---------GTGLGLSICRKIIEDEHGGKIWTENR-ENGVVFIFEIPKT- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A0Y.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -92941 for 1085 contacts (-85.7/contact) +
2D Compatibility (PS) -15119 + (NN) -5322 + (LL) 35564
1D Compatibility (HY) -9200 + (ID) 2300
Total energy: -89318.0 ( -82.32 by residue)
QMean score : 0.604
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