Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDKILIRGARTHNLKNVDLTLPRDKLIVITGLSGSGKSSLAFDTLYAEGQRRYVESLSAYARQFLSMMEKPDVDTIEGLSPAISIEQKSTSHNPRSTVGTITEIYDYLRLLYARVGTPRCPDHDIPLEAQTVSQMVDQVLALPEGSKLMLLAPVIRERKGEHLAVFDEMRAQGFVRARVDGKLYELDEVPKLDKQKKHSIDVVVDRFKVRADLQQRLAESFETALSLADGIALVAPMDEDEDVEEIIFSARFACPVCGHSISELEPKLFSFNNPAGACPTCDGLGVKQFFDARRVVNGELTLAEGAIRGWDRRNVYYFQMLGSLAQHYGFSLEEPFDELGAEHQKVVLYGSGRENVDFRYLNDRGDIVKRSHPFEGILPNLERRYRETESATVREELAKFLSTQPCPDCHGTRLRREARHVWVGDRTLPAITAMPVGEACEYAAGLSLTGRRGEIAAKILKEIRDRLQFLVNVGLDYLTLDRSADTLSGGEAQRIRLASQIGAGLVGVMYILDEPSIGLHQRDNERLLGTLTHLRNLGNTVIVVEHDEDAIRLADYVVDIGPGAGVHGGQVVAEGTPDQVMNHPDSLTGKYLSGRKKIAVPAKRTPRDKKKLLKLKGARGNNLQNVNLEIPVGLFTCITGVSGSGKSTLINNTLFPITATALNGATT------LEVAPYDSFDGLQHLDKVVDIDQSPIGRTPRSNPATYTGLFTPIRELFSGVPEARS--RGYGPGRFSFNVKGGRCEACQGDGVIKVE-MH------------------------------------------------------------------------------------FLP----------------------------DIYVPCDVCKGKRYNRETLEIRYKGKSIHEVLEMTIEEAREFFDAV--------------------------PALARKLQTLMDVGLSYIKLGQSATTLSGGEAQRVKLSRELSKRDTGKTLYILDEPTTGLHFADIQQLLDVLHRLRDHGNTVVVIEHNLDVIKTADWLVDLGPEGGSKGGQIIANGTPEQVAEMPQSHTGHFLKPLLERDRA |
2VF7 Chain:A ((12-502)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DGGFVQVRGARQHNLKDISVKVPRDALVVFTGVSGSGKSSLAFGTLYAEAQRRYLESVSPYARRLFNQAGVPDVDAIDGLPPAVALQQARGTPTARSSVGSVTTLSNLLRMLYSRAGDYPPGQGIVYAEGFSPNTPEGACPECHGLGRVYTVTEDSMVPDPSLTIRERAVAAWPQAWGGQNQRDILVTLGIDVDVPWRELPEETRHWILFTDEQPVVPVYPGLTPAETQRALKKKMEPSYMGTFSSARRHVLHTFANTESASMKKRVQGYMISEECPLCHGKRLRQEALNVTFAGLDITELSRLPLARVSELLRPYAEEREPGHAERVKNRPEQAIALQRMAADLVKRLDVLLHLGLGYLGLDRSTPTLSPGELQRLRLATQLYSNL-FGVVYVLDEPSAGLHPADTEALLSALENLKRGGNSLFVVEHDLDVIRRADWLVDVGPEAGEKGGEILYSGPPEGLKHVPESQTGQYL--------- |
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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) -130633 for 2570 contacts (-50.8/contact) +
2D Compatibility (PS) -36008 + (NN) -17097 + (LL) 40136
1D Compatibility (HY) -27200 + (ID) 5650
Total energy: -176452.0 ( -68.66 by residue)
QMean score : 0.472
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