Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIPLEKPGSGGSSPGATSGSGRAGRGLSGPCRPPPP---PQARGLLTEIRAVVRTEPFQDGYSLCPGRELGRGKFAVVRKCIKKDSGKEFAAKFMRKRRKGQDCRMEIIHEIAVLELAQDNPWVINLHEVYETASEMILVLEYAAGGEIFDQCVADREEAFKEKDVQRLMRQILEGVHFLHTRDVVHLDLKPQNILLTSESPLGDIKIVDFGLSRILKNSEELREIMGTPEYVAPEIL--SYDPISMATDMWSIGVLTYVMLTGISPFLGNDKQETFLNISQMNLSYSEEEFDVLSESAVDFIRTLLVKKPEDRATAEECLKHPWL------TQSSIQEPSFRMEKALEEANALQEGHSVPEINSDTDKSETKESIVTEELIVVTSYTLGQCRQSEKEKMEQKAISKRFKFEEPLLQEIPGEFIY |
3LIJ Chain:A ((15-329)) | -------------------------YFQGDLQATPGMFITSKKGHLSEMYQRVK--------------KLGS---GEVLLCRDKVTHVERAIKIIRK-----SSNSKLLEEVAVLKLL-DHPNIMKLYDFFEDKRNYYLVMECYKGGELFDEII--HRMKFNEVDAAVIIKQVLSGVTYLHKHNIVHRDLKPENLLLESKEKDALIKIVDFGLSAVFENQKKMKERLGTAYYIAPEVLRKKYDE---KCDVWSIGVILFILLAGYPPFGGQTDQEILRKVEKGKYTFDSPEWKNVSEGAKDLIKQMLQFDSQRRISAQQALEHPWIKEMCSKKES---LPS--LANAIENMRKFQNSQKLAQAALLYMASKLTSQEETKELTDIFRHIDKNGDGQLDRQELIDGYSKLSGEEVAVFPQIESEVDA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3LIJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -155281 for 2144 contacts (-72.4/contact) +
2D Compatibility (PS) -31026 + (NN) -12882 + (LL) 972
1D Compatibility (HY) -27200 + (ID) 5200
Total energy: -230617.0 ( -107.56 by residue)
QMean score : 0.433
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