Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --------------------MAAATAAAALAAADPPPAMPQAA---GAGGPTTRRDFYWLRSFLAGGIAGCCAKTTVAPLD--------RVKV-LLQAHN--HHYKHLGVFSALRAVPQKEGFL-----GLYKGNGAMMIRIFPYGAIQFMAFEHYKTLITTKLGISGHVHRLMAGSMAGMTAVICTYPLDMVRVRLAFQVKGEHSYTGIIHAFKTIYAKEGGFFGFYRGLMPTILGMAPYAGVSFFTFGTLKSVGLSHAPTLLGRPSSDNPNVLVLK--THVNLLCGGV---------AGAIAQTISYPFDVTR--RRMQ---LGTVLPEFEKCLTM-------RDTMKYVYGHHGIRKGLYRGLSLNYIRC---------IPSQAVAFTTYELMKQFFHLN |
4NZR Chain:M ((26-416)) | NDGSYQSEIDLSGGANFREKFRNFANELSEAITNSPKGLDRPVPKTEISGLIKTGDNFITPSFKAGYYDHVASDGSLLSYYQSTEYFNNRVLMPILQTTNGTLMANNRGYDDVFRQVPSFSGWSNTKATTVSTSNNLTYDKWTYFAAKGSPLYDSYPNHFFED-------VKTLAIDAKDISALKTTIDSEKPTYLIIRGLSGNGSQLNELQLPESV--KKVSLYGDYTGVNVAKQIFANVVELEFYSTSKANSFGFN--PLVLGSKTNVIYDLFASKPFTHIDLTQVTLQNSDNSAIDANKLKQAVGDIYNYRRFERQFQGYFAGGYIDKYLVKNVNTNKDSDDDLVYRSLKELNLHLEEAYREGDNTYYRVNENYYPGASIYENERASRDSEFQNEILKR- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4NZR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -122565 for 2335 contacts (-52.5/contact) +
2D Compatibility (PS) -32673 + (NN) 2363 + (LL) 588
1D Compatibility (HY) -6000 + (ID) 2700
Total energy: -160987.0 ( -68.95 by residue)
QMean score : 0.163
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