Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNKPITPSTYVRCLNVGLIRKLSDFIDPQEGWKKLAVAIKKPSGDDRYNQFHIRRFEALLQTGKSPTSELLFDWGTTNCTVGDLVDLLIQNEFFAPASLLLPDAVPKTANTLPSKEAITVQQKQMPFCDKDRTLMTPVQNLEQSYMPPDSSSPENKSLEVSDTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYV-NNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCL-DGTPPLSWHMRCKIAQGAANGINFLHEN---HHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEALR-GEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKM-NDA--DSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS |
4OAC Chain:A ((6-299)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------PLRKLAFADLLQATNGFHNDSL------IGSGGFGDVYKAILKDGSAVAIKKLIHV----SGQGDREFMAEMETIGKIKHRNLVPLLGYCKVGDERLLVYEFMKYGSLEDVLHDPKKAGVKLNWSTRRKIAIGSARGLAFLHHNCSPHIIHRDMKSSNVLLDENLEARVSDFGMARLMSAMDTHLSVSTLAGTPGYVPPEYYQSFRCSTKGDVYSYGVVLLELLTGKRPTDS-----------KQHAKL--RISDVFDPELMKEDPALEIELLQHLKVAVACLDDRAWRRPTMVQVMAMFKEIQA- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4OAC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -117824 for 2211 contacts (-53.3/contact) +
2D Compatibility (PS) -28876 + (NN) -5534 + (LL) 10344
1D Compatibility (HY) -24000 + (ID) 5050
Total energy: -170940.0 ( -77.31 by residue)
QMean score : 0.271
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