Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDKILIRGARTHNLKNVDLTLPRDKLIVITGLSGSGKSSLAFDTLYAEGQRRYVESLSAYARQFLSMMEKPDVDTIEGLSPAISIEQKSTSHNPRSTVGTITEIYDYLRLLYARVGTPRCPDHDIPLEAQTVSQMVDQVLALPEGSKLMLLAPVIRERKGEHLAVFDEMRAQGFVRARVDGKLYELDEVPKLDKQKKHSIDVVVDRFKVRADLQQRLAESFETALSLADGIALVAPMDEDEDVEEIIFSARFACPVCGHSISELEPKLFSFNNPAGACPTCDGLG-VKQFFDARRVVNGELTLAEGAIRGWDRRNVYYFQMLGSLAQHYGFSLEEPFDELGAEHQKVVLYGSGRENVD----FRYLNDRGDIVKRSHP-FEGILPNLERR----YRETESATVREELAKFLSTQPCPDCHGTRLRREARHVWVGDRTLPAITAMPVGEACE----YA-----AGLSLTGRRGEIAAKILKEIRD---RLQFLVNVGLDYLTLDRSADTLSGGEAQRIRLASQIGAGLVGVMYILDEPSIGLHQRDNERLLGTLTHLRNLGNTVIVVEHDEDAIRLADYVVDIGPGAGVHGGQVVAEGTPDQVMNHPDSLTGKYLSGRKKIAVPAKRTPRDKKKLLKLKGARGNNLQNVNLEIPVGLFTCITGVSGSGKSTLINNTLFPITAT----ALNGATTLEVAPYDSFDG-------LQHLDKVVDIDQSPIGRTPRSNPATYTGLFTPIRELFSGVPEARSRGYGPGRFSFNVKGGRCEACQGDGVIKVEMHFLPDIYVPCDVCKGKRYNRETLEIRYKGKSIHEVLEMTIEEAREFFDAVPALARKLQTLMDVGLSYIKLGQSATTLSGGEAQRVKLSRELSKRDTGKTLYILDEPTTGLHFADIQQLLDVLHRLRDHGNTVVVIEHNLDVIKTADWLVDLGPEGGSKGGQIIANGTPEQVAEMPQSHTGHFLKPLLERDRA |
| 2VF7 Chain:A ((142-841)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FSPNTPEGACPECHGLGRVYTVTEDSMVPDPSLTIRERAVAAWPQ--AWGGQNQRDILVTLGIDVDVPWRELPEETRHWILFTDEQPVVPVYPGLTPAETQRALKKKMEPSYMGTFSSARRHVLHTFANTESASMKKRVQGYMISEECPLCHGKRLRQEALNVTFAGLDITELSRLPLARVSELLRPYAEEREPGHAERVKNRPEQAIALQRMAADLVKRLDVLLHLGLGYLGLDRSTPTLSPGELQRLRLATQLYSNLFGVVYVLDEPSAGLHPADTEALLSALENLKRGGNSLFVVEHDLDVIRRADWLVDVGPEAGEKGGEILYSGPPEGLKHVPESQTGQYLFADRHTE---PHTPREPAGWLELNGVTRNNLDNLDVRFPLGVMTSVTGVSGSGKSTLVSQALVDALAAHFGQ-----------------GSARLGGDLAQITRLVRVDQKPIGRTPRSNMATYTGLFDQVRKLFAATPLAKKRGYNAGRFSFNVKGGRCEHCQGEGWVMVELLFLPSVYAPCPVCHGTRYNAETLEVEYRGKNIADVLALTVDEAHDFFADESAIFRALDTLREVGLGYLRLGQPATELSGGEAQRIKLATELRRSGRGGTVYVLDEPTTGLHPADVERLQRQLVKLVDAGNTVIAVEHKMQVVAASDWVLDIGPGAGEDGGRLVAQGTPAEVAQAAGSVTAPYLRAAL----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2VF7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -188255 for 5021 contacts (-37.5/contact) +
2D Compatibility (PS) -70908 + (NN) -28152 + (LL) 21032
1D Compatibility (HY) -54400 + (ID) 14600
Total energy: -335283.0 ( -66.78 by residue)
QMean score : 0.390
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