Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRVIDTHCDALYKLQAGKGKYTFQDAEELDVNFERLIEAKMLLQGFAIFLDEDIPVEHKWKKAVEQVNIFKQHVLHKGGIIHHVKKWCDLENL-PEDKIGAMLTLEGIEPIGRDLDKLTQLLDGGVLSVGLTWNNANLAADGIMEERG-AGLTRFGKDIIHLLNERKVFTDVSHLSVKAFWETLEQAEF-VIASHSSAKAICAHPRNLDDEQIKAMIEHDAMIHVIFHPLFTTNDG---------------------------------------VADIEDVIRHIDHICELGGMKNIGFGSDFDGIPDHVKGLEHAGKYQNFL-ETLGKHYTKEEVEGFASRNFLNHLPK |
3ISI Chain:X ((48-366)) | ----------------------------LHTDLARLRSGGVGAQYWSVYVRSDLP--GAVTATLEQIDCVRRLIDRHPGELRAALTAADMEAARAEGRIASLMGAEGGHSIDNSLATLRALYALGVRYMTLTHNDNNAWADSATDEPGVGGLSAFGREVVREMNREGMLVDLSHVAATTMRDALDTSTAPVIFSHSSSRAVCDHPRNIPDDVLERLSANGGMAMVTFVPKFVLQAAVDWTAEADDNMRAHGFHHLDSSPEAMKVHAAFEERVPRPVATVSTVADHLDHMREVAGVDHLGIGGDYDGTPFTPDGLGDVSGYPNLIAELLDRGWSQSDLAKLTWKNAVRVL-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ISI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -167852 for 2433 contacts (-69.0/contact) +
2D Compatibility (PS) -29054 + (NN) -6724 + (LL) 2296
1D Compatibility (HY) -16000 + (ID) 3900
Total energy: -221234.0 ( -90.93 by residue)
QMean score : 0.452
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