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 |
3S2M Chain:A ((48-366)) | ----------------------------LHTDLARLRSGGVGAQYWSVYVRSDLP--GAVTATLEQIDCVRRLIDRHPGELRAALTAADMEAARAEGRIASLMGAEGGHSIDNSLATLRALYALGVRYMTLTHNDNNAWADSATDEPGVGGLSAFGREVVREMNREGMLVDLSHVAATTMRDALDTSTAPVIFSHSSSRAVCDHPRNIPDDVLERLSANGGMAMVTFVPKFVLQAAVDWTAEADDNMRAHGFHHLDSSPEAMKVHAAFEERVPRPVATVSTVADHLDHMREVAGVDHLGIGGDYDGTPFTPDGLGDVSGYPNLIAELLDRGWSQSDLAKLTWKNAVRVL-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3S2M.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -170875 for 2456 contacts (-69.6/contact) +
2D Compatibility (PS) -28977 + (NN) -7124 + (LL) 2296
1D Compatibility (HY) -16000 + (ID) 3900
Total energy: -224580.0 ( -91.44 by residue)
QMean score : 0.452
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