Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNKPITPSTYVRCLNVGLIRKLSDFIDPQEGWKKLAVAIKKPSGDDRYNQFHIRRFEALLQTGKSPTSELLFDWGTTNCTVGDLVDLLIQNEFFAPASLLLPDAVPKTANTLPSKEAITVQQKQMPFCDKDRTLMTPVQNLEQSYMPPDSSSPENKSLEVSDTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEALRGE----ITPKSDIYSFGVVLLEIITG-LPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS |
3OMV Chain:B ((43-286)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RIGSGSFGTVYKGKWHGD-VAVKILK-VVDPTPEQF-QAFRNEVAVLRKTRHVNILLFMGYMTK-DNLAIVTQWCEGSSLYKHLHVQE--TKFQMFQLIDIARQTAQGMDYLHAKNIIHRDMKSNNIFLHEGLTVKIGDFGLATV------------PTGSVLWMAPEVIRMQDNNPFSFQSDVYSYGIVLYELMTGELPYSHINNRDQIIFMVG----------RGYASPDLSKLYKNCPKAMKRLVADCVKKVKEERPLFPQILSSIELLQHS |
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General information:
TITO was launched using:
| RESULT:
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Template: 3OMV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -99283 for 1720 contacts (-57.7/contact) +
2D Compatibility (PS) -23781 + (NN) -5162 + (LL) 12116
1D Compatibility (HY) -21600 + (ID) 4050
Total energy: -141760.0 ( -82.42 by residue)
QMean score : 0.351
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