Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNKPITPSTYVRCLNVGLIRKLSDFIDPQEGWKKLAVAIKKPSGDDRYNQFHIRRFEALLQTGKSPTSELLFDWGTTNCTVGDLVDLLIQNEFFAPASLLLPDAVPKTANTLPSKEAITVQQKQMPFCDKDRTLMTPVQNLEQSYMPPDSSSPENKSLEVSDTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYV-NNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLS-CLDGTPPLSWHMRCKIAQGAANGINFLHEN---HHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEALRG-EITPKSDIYSFGVVLLEIITGLPAVD-EHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDAD-STSVEAM--YSVASQCLHEKKNKRPDIKKVQQLLQEMTAS |
4OAB Chain:A ((10-299)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------LAFADLLQATNGFHNDSL------IGSGGFGDVYKAILKDGSAVAIKKLIHV----SGQGDREFMAEMETIGKIKHRNLVPLLGYCKVGDERLLVYEFMKYGSLEDVLHDPKKAGVKLNWSTRRKIAIGSARGLAFLHHNCSPHIIHRDMKSSNVLLDENLEARVSDFGMARLMSAMDTHLSVSTLAGTPGYVPPEYYQSFRCSTKGDVYSYGVVLLELLTGKRPTDS-----------KQH---AKLRISDVFDPELMKEDPALEIELLQHLKVAVACLDDRAWRRPTMVQVMAMFKEIQA- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4OAB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -92944 for 2149 contacts (-43.2/contact) +
2D Compatibility (PS) -28656 + (NN) -8090 + (LL) 10696
1D Compatibility (HY) -24800 + (ID) 5200
Total energy: -148994.0 ( -69.33 by residue)
QMean score : 0.386
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