Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MWRLTGNSSLPIYLQIVDLIETKIMNGELLPEEKLPPERQLAEMFGVNRSTVVRALDELTARAVIIRKQGSGTTVNAEKWGLFAGQSTNWRHYLTQGGFTPAVPYIRQAGVMERANSDNVIDAASGELPLEMTPKMETPSLSWQSFIAEEQQEDEAGYKPLRETIQKQMKEAYGLQTRSEQIFITSGAQQALFLITQCLLKPGDAVAIESPSYFYSLSLFQSAGLRIFALPMDEDGVVIS----ELRDLYHK-HRVKMVFVNPTFQNPTGLVMSLKRRKELVKICAHLQIPIVEDDPFSELGALDNQIPAPLKRLDTDN-VLYIGSLSKIMGSTTRIGWLIGPTAVIERLALARQEMDFGLSIFPQVLANSVLNTAGYKAHLLQLHHVLEQRRDDLIEAFEAILPSEVTFIKPKGGFHLWVKLPVEFRSVRDFDIFLANDLLVMPGFLFGVKEAV-----IRVTYARLEK--KEARRVAEIIKQILVSKKCEEA |
3AOV Chain:A ((119-446)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------GFTPLRETLMKWLGKRYGI-SQDNDIMITSGSQQALDLIGRVFLNPGDIVVVEAPTYLAALQAFNFYEPQYIQIPLDDEGMKVEILEEKLKELKSQGKKVKVVYTVPTFQNPAGVTMNEDRRKYLLELASEYDFIVVEDDPYGELRYSGNP-EKKIKALDNEGRVIYLGTFSKILAPGFRIGWMVGDPGIIRKMEIAKQSTDLCTNVFGQVVAWRYVDGGYLEKHIPEIRKFYKPRRDAMLEALEEFMPEGVKWTKPEGGMFIWVTLPDGIDSKKMLERAIKKGVAYVPGEAFYAHRDVKNTMRLNFTYVDEDKIMEGIKRLAETIKEEL-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AOV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -211313 for 2653 contacts (-79.7/contact) +
2D Compatibility (PS) -35129 + (NN) -23444 + (LL) 11984
1D Compatibility (HY) -29600 + (ID) 5550
Total energy: -293052.0 ( -110.46 by residue)
QMean score : 0.524
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