Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNKPITPSTYVRCLNVGLIRKLSDFIDPQEGWKKLAVAIKKPSGDDRYNQFHIRRFEALLQTGKSPTSELLFDWGTTNCTVGDLVDLLIQNEFFAPASLLLPDAVPKTANTLPSKEAITVQQKQMPFCDKDRTLMTPVQNLEQSYMPPDSSSPENKSLEVSDTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEALRGE----ITPKSDIYSFGVVLLEIITG-LPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS |
4MNF Chain:B ((53-298)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GQRIGSGSFGTVYKGKWHGD-VAVKMLN--VTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTK-PQLAIVTQWCEGSSLYHHLHIIETKFEMI--KLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATE---------------SILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVG----------RGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARS |
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General information:
TITO was launched using:
| RESULT:
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Template: 4MNF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -94713 for 1751 contacts (-54.1/contact) +
2D Compatibility (PS) -23842 + (NN) -5091 + (LL) 13056
1D Compatibility (HY) -22400 + (ID) 4050
Total energy: -137040.0 ( -78.26 by residue)
QMean score : 0.377
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