Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAQVAGKKLTVAPEAAKPPGIPGSSSAVKEIPEILVDPRTRRRYLRGRFLGKGGFAKCYEITDLESREVFAGKIVPKTMLLKPHQKDKMTMEIAIQRSLDHRHVVGFHGFFEDNDFVYVVLELCRRRSLLELHKRRKAVTEPEARYYLKQTISGCQYLHSNRVIHRDLKLGNLFLNDEMEVKIGDFGLATKVEYDGERKKTLCGTPNYIAPEVLGKKGHSFEVDIWSIGCIMYTLLVGKPPFETSCLKETYMRIKKNEYSIPKHINPVAAALIQKMLRSDPTSRPTIDDLLNDEFFTSGYIPSRLPTTCLTVPPRFSIAPSTIDQSLRKPLTAINKGQDSPLVEKQVAPAKEEEMQQPEFTEPADCYLSEMLQQLTCLNAVKPSERALIRQEEAEDPASIPIFWISKWVDYSDKYGLGYQLCDNSVGVLFNDSTRLIMYNDGDSLQYIERNNTESYLNVRSYPTTLTKKITLLKYFRNYMSEHLLKAGANTTPREGDELARLPFLRTWFRTRSAIILHLSNGTVQINFFQDHTKIILCPLMAAVSYIDEKREFRTYKLSLIQEFGCCKELASRLRYARTMVEKLQSSKSAVAHVKASA |
4J53 Chain:A ((1-293)) | ----------------------------KEIPEVLVDPRSRRRYVRGRFLGKGGFAKCFEISDADTKEVFAGKIVPKSLLLKPHQREKMSMEISIHRSLAHQHVVGFHGFFEDNDFVFVVLELCRRRSLLELHKRRKALTEPEARYYLRQIVLGCQYLHRNRVIHRDLKLGNLFLNEDLEVKIGDFGLATKVEYDGERKKVLCGTPNYIAPEVLSKKGHSFEVDVWSIGCIMYTLLVGKPPFETSCLKETYLRIKKNEYSIPKHINPVAASLIQKMLQTDPTARPTINELLNDEFFTSGYIPARLPITCLTIPPRFSIAPS------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4J53.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -180353 for 2301 contacts (-78.4/contact) +
2D Compatibility (PS) -30924 + (NN) -13543 + (LL) 21844
1D Compatibility (HY) -42400 + (ID) 12550
Total energy: -257926.0 ( -112.09 by residue)
QMean score : 0.264
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