Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSLFSAVEMAPRDPILGLNEAFNADTRPGKINLGVGVYYNEEGRIPLLRAVQAAEKARIEAHAPRGYLPIEGIAAYDQGVQKLLFGNESELLAAGRVVTTQAVGGTGALKLGADFLKRLLPDATVAISDPSWENHRALFEAAGFPVQNYRYYDAASNGVNRAGLLEDLNALPARSIVVLHACCHNPTGVDLELDDWKQVLDVLKAKGHVPFLDIAYQGFGNGIEEDAAAVRLFAQSGLSFFVSSSFSKSFSLYGERVGALSIVTESRDESARVLSQVKRVIRTNYSNPPTHGASVVSSVLNSPELRALWEQELGEMRDRIRDMRLAMVEQLAAHGAKRDFSFVGRQRGMFSYSGLTADQVERLKTEFGIYAVSTGRICVAALNKSNLETITKAIVQVL |
4RKD Chain:E ((1-396)) | --MFERIDYYAGDPILGLVEKFAADNNPDKVNLGIGIYYDESGVMPVLDCVKIAEQRIADPISPRPYLPMAGLPGHRKGCQELLFGKDAPVLKDGLVATIATIGGSGALKVGAEFIHEWFPQSKCYVSDPTWGNHIAIFEGCDIEVGKYPYYDTATGGIKFDEMIAFFETLNKDDVLLLHPCCHNPTGVDLTREQWDTVLNVIQERELIPFMDIAYQGFGEDMDSDAYAIRKAVDMGLPLFVSNSFSKNLSLYGERVGGLSVVCPTVDETERVFGQLNSTVRRIYSSPPSHGGRVVDIVMNDAALHEQWVGEVYAMRDRIKSMRTKLKSVLEAKISGRNFDYLTAQNGMFSFTGLTPEQVERLQSEFGIYMISNSRMCVAGLNSSNIDYVANAMVDVL |
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General information:
TITO was launched using:
| RESULT:
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Template: 4RKD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -245453 for 3398 contacts (-72.2/contact) +
2D Compatibility (PS) -43905 + (NN) -29426 + (LL) 180
1D Compatibility (HY) -45600 + (ID) 9000
Total energy: -373204.0 ( -109.83 by residue)
QMean score : 0.641
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