Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPFVPTRSLKERKIDFIEAVLNPNAPKGGLYTLEHFETLEWQDCLGMSYSELVEHVFELLNLEIPKNLLASALKRYENFDNPKNPAPIFALNERLFVQELYHGPSLAFKDMALQPLASLFSNLAVGKNEKYLVLVSTSGDTGPATLEGLAGMPNVFVVCLYPKDGTSLVQKLQMVTQNASNLKVFGVSGDFDDAQNALKNLLKDDDFNEALKARQLKLSVANSVNFGRIAFQIVYHIWGFLELYKKGAINSKEKITLAIPSGNFGNALGAFYAKKMGLNIAKIKVVTNSNDVLREFIETGRYDLTKRSLKQTFSPAMDILKSSNVERALFSLFGFERTLELMQALEEEKFYALKPKELALLQEHFSCASCSDEDCLKTIQEVYAEHQYLIDPHTATALNA---SLKTHEKTLVSATASYEKFPKTTLLALNEQKKNDDDKAALETLKNSYNTPDSQRLDDLFERGIKHQEVLKLNEIKSSILLWLENTH |
1VB3 Chain:A ((97-392)) | --------------------------------------------------------------------------------------------------ELFHGPTLAFKDFGGRFMAQMLTHIA--GDKPVTILTATSGDTGAAVAHAFYGLPNVKVVILYPRGKISPLQE-KLFCTLGGNIETVAIDGDFDACQALVKQAFDDEELKVALG-----LNSANSINISRLLAQICYYFEAVAQLPQE----TRNQLVVSVPSGNFGDLTAGLLAKSLGLPVKRFIAATNVNDTVPRFLHDGQW--SPKATQATLSNAMDVSQPNNWPR--------------VEELFRRKIWQLK---------ELGYAAVDDETTQQTMREL-KELGYTSEPHAAVAYRALRDQLNPGEYGLFLGTAHPAKFKESVEAILGETLDLPKELAERADLPLLSHNLPADFAALRKLMMNHQ--------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1VB3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -88326 for 2624 contacts (-33.7/contact) +
2D Compatibility (PS) -32005 + (NN) -15084 + (LL) 11000
1D Compatibility (HY) -20000 + (ID) 4950
Total energy: -149365.0 ( -56.92 by residue)
QMean score : 0.443
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