Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAQEKAVIRDPKKLNAFDLRWIASLFGTAVGAGILFLPIRA-GGHGIWAIVVMSAIIFPLTYLGHRALAYFIGSKDKE-DITMVVRSHFGAQW-GFLITLLYFLAIYPICLAYGVGITNVFDHFFTNQLHLAPFHRGLLAVALVSLMMLVMVFNATIVTRICNALVYPLCLILLLFSLYLIPYWQGANLFVVPSFKEFVLAIWLTLPVLVFSFNHSPIISTFTQNVGKEYGAFKEYKLNQIELGTSLMLLGFVMFFVFSCVMCLNADDFVKAREQNIPILSYFANTLNNPLINYAGPVVAFLAIFSSFFGHYYGAKEGLEGIIIQS-LKL--KQ-ASKTLSVGVTIFLWLTITLVAYINPNILDFIENLGGPIIALILFVMPMIAFYSVSSLKRFRNFKVDIFVFVFGSLTALSVFLGLF |
3GIA Chain:A ((3-369)) | ----------LKNKKLSLWEAVSMAVGVMIGASIFSIFGVGAKIAGR-NLPETFILSGIYALLVAYSYTKLGAKIVSNAGPIAFIHKAIGDNIITGALSILLWMSYVISIALFAKGFAGYFLPLINAP--INTFNIAITEIGIVAFFTALNFFGSKAVGRAEFFIVLVKLLILGLFIFAGLITIHPSYVIPDLA-PSAVSGMIFASAIFFLSYMGFGVITNASEHIE-----NPKKNVPRAIFISILIVMFVYVGVAISAIGNLPIDELIK--ASE-NALAVAAKPFLGNLGFLLISIGALFSISSAMNATIYGGANVAYSLAKDGELPEFFERKVWFKST-EGLYITSALGVLFAL-LFNMEGVASI-TSA-VFMVIYLFVILSHYILIDEVGGRKEIVIFSFIVVLGVFLLLLYYQWI |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GIA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -429605 for 3285 contacts (-130.8/contact) +
2D Compatibility (PS) -36294 + (NN) -6494 + (LL) 3168
1D Compatibility (HY) -20400 + (ID) 2150
Total energy: -491775.0 ( -149.70 by residue)
QMean score : 0.277
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