Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKTIMASSLAVALGVTGYAAGTGHQAHAAEVNVDQAHLVDLAHNHQDQLNAAPIKDGAYDIHFVKDGFQYNFTSNGTTWSWSYEAANGQTAGFSNVAGADYTTSYNQGSDVQSVSYNAQSSNSNVEAVSAPTYHNYSTSTTSSSVRLSNGNTAGATGSSAAQIMAQRTGVSASTWAAIIARESNGQVNAYNPS-----GASGLFQTMP-GWGP-T------------------NTVDQQINAAVKAYK-AQGLGAWGF |
2NWD Chain:X ((18-111)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------DGYRGISLANWMCLAKWESGYNTRATNYNAGDRSTDYGIFQINSRYWCNDGKTPGAVNACHLSCSALLQDNIADAVACAKRVVRDPQGIRAWVA |
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General information:
TITO was launched using:
| RESULT:
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Template: 2NWD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -20360 for 422 contacts (-48.2/contact) +
2D Compatibility (PS) -7266 + (NN) -2378 + (LL) 7992
1D Compatibility (HY) -2000 + (ID) 800
Total energy: -24812.0 ( -58.80 by residue)
QMean score : 0.603
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