Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQHKTIMDKIIIQGARENNLKNIFLEIPKNQFVVFTGLSGSGKSTLAFDTLYAEGQRRYLESLSSYARQFLDKVGKPNVDKIEGLTPAIAIDQKTTSKNPRSTVGTITEIYDYLRLLFARVGEQFCPTCLEPISSMSASDIISQICHLEENSKIIILAPIIKDKKGSFNDKLESLRLKGYVRAFVDGVMVRLDEEIHLHKTKKHTIEAVVDRVVINSENASRIASAVEKALKESYGELEVEILQDNAPSIRKHYSEHKACFKCKMSFEELEPLSFSFNSPKGACESCLGLGTKFSLDISKIL-DPNTPLNQGAIKVIFGYNRSYYAQMFEGFCTYNGIDSALCFNELNKEQQDALLYGNGTEISFHF-----------KNSPLKRPWKGIIQIAYDMFK----------EQKDLSDYMSEKTCSSCNGHRLKASSLSVQVAGLKMADFLTKPIEEVYHFFN----DPTHFNYLNEQEKKIAEP----ILKEILERVFFLYDVGLGYLTLGRDARTISGGESQRIRIASQIGSGLTGVLYVLDEPSIGLHEKDTLKLINTLRNLQKKGNTLIVVEHDKETIKHADFVVDIGPKAGRHGGEVVFSGSVKDLLQNN-HSTALYLNGTKKIERPKFEPPKEKHFLEIKNVNINNIKNLSVQIPLKQLVCITGVSGSGKSSLILQTLLPTAQTLLNHAKKNQSLNG-VEIVG-LEYLDKVIYLDQAPIGKTPRSNPATYTGVMDEIRILFAEQKEAKILGYSTSRFSFNVKGGRCEKCQGDGDIKIEMHFLPDVLVQCDSCKGAKYNPQTLEIKVKGKSIADVLNMSVEEAYEFFAKFPKIAVKLKTLIDVGLGYITLGQNATTLSGGEAQRIKLAKELSKKDTGKTLYILDEPTTGLHFEDVNHLLQVLHSLVALGNSMLVIEHNLDIIKNADYIIDMGPDGGDKGGKVIASGTPLEVAQNCEKTQSYTGKFLALELK |
2VF7 Chain:A ((11-841)) | ----PDGGFVQVRGARQHNLKDISVKVPRDALVVFTGVSGSGKSSLAFGTLYAEAQRRYLESVSPYARRLFNQAGVPDVDAIDGLPPAVALQQARGTPTARSSVGSVTTLSNLLRMLYSRAGDYPPG-QGI------------------------------------------------------------------------------------------------------------------------------------------VYAEGFSPNTPEGACPECHGLGRVYTVTEDSMVPDPSLTIRERAVAAWPQAW---GGQNQRDILVTLGIDVDVPWRELPEETRHWILFTDEQPVVPVYPGLTPAETQRALKKKMEPSYMGTFSSARRHVLHTFANTESASMKKRVQGYMISEECPLCHGKRLRQEALNVTFAGLDITELSRLPLARVSELLRPYAEEREPGHAERVKNRPEQAIALQRMAADLVKRLDVLLHLGLGYLGLDRSTPTLSPGELQRLRLATQLYSNLFGVVYVLDEPSAGLHPADTEALLSALENLKRGGNSLFVVEHDLDVIRRADWLVDVGPEAGEKGGEILYSGPPEGLKHVPESQTGQYLFADRHTEPH--TPREPAGWLELNGVTRNNLDNLDVRFPLGVMTSVTGVSGSGKSTLVSQALVDALAAHFGQ--------GSARLGGDLAQITRLVRVDQKPIGRTPRSNMATYTGLFDQVRKLFAATPLAKKRGYNAGRFSFNVKGGRCEHCQGEGWVMVELLFLPSVYAPCPVCHGTRYNAETLEVEYRGKNIADVLALTVDEAHDFFADESAIFRALDTLREVGLGYLRLGQPATELSGGEAQRIKLATELRRSGRGGTVYVLDEPTTGLHPADVERLQRQLVKLVDAGNTVIAVEHKMQVVAASDWVLDIGPGAGEDGGRLVAQGTPAEVAQA---AGSVTAPYLRAALR |
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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) -369107 for 6549 contacts (-56.4/contact) +
2D Compatibility (PS) -85072 + (NN) -31085 + (LL) 12496
1D Compatibility (HY) -59200 + (ID) 16200
Total energy: -548168.0 ( -83.70 by residue)
QMean score : 0.478
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