Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNKPITPSTYVRCLNVGLIRKLSDFIDPQEGWKKLAVAIKKPSGDDRYNQFHIRRFEALLQTGKSPTSELLFDWGTTNCTVGDLVDLLIQNEFFAPASLLLPDAVPKTANTLPSKEAITVQQKQMPFCDKDRTLMTPVQNLEQSYMPPDSSSPENKSLEVSDTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTT-VAVKKLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEALR-GEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS |
3A4O Chain:X ((20-206)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RLGAGQFGEVWMGYYNNSTKVAVKTLKPGTMSV-----QAFLEEANLMKTLQHDKLVRLYAVVTREEPIYIITEYMAKGSLLDFLKSDEGGKVLLPKLIDFSAQ-IAEGMAYIERKNYIHRDLRAANVLVSESLMCKIADFGLARV---------EGAKF-PIKWTAPEAINFGCFTIKSDVWSFGILLYEIVT------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A4O.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -86795 for 1337 contacts (-64.9/contact) +
2D Compatibility (PS) -18635 + (NN) -3750 + (LL) 17080
1D Compatibility (HY) -16000 + (ID) 3500
Total energy: -111600.0 ( -83.47 by residue)
QMean score : 0.155
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