Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKRFWENVGKPNDTTDGRGTTSLAMTPISQTPGLLAEAMVDLGAIEHNVRVLREHAGHAQLMAVVKADGYGHGATRVAQTALGAGAAELGVATVDEALALRADGITAPVLAWLHPPGIDFGPALLADVQVAVSSLRQLDELLHAVRRTGRTATVTVKVDTGLNRNGVGPAQFPAMLTALRQAMAEDAVRLRGLMSHMVYADKPDDSINDVQAQRFTAFLAQAREQGVRFEVAHLSNSSATMARPDLTFDLVRPGIAVYGLSPVPALGD--MGLVPAMTVKCAVALVKSIRAGEGVSYGHTWIAPRDTNLALLPIGYADGVFRSLGGRLEVLINGRRCPGVGRICMDQFMVDLGPGPLDVAEGDEAILFGPGIRGEPTAQDWADLVGTIHYEVVTSPRGRITRTYREAENR |
4LUT Chain:A ((22-372)) | ----------------------------------------------NNIKNLLEE--DIKICGVIKADAYGHGAVEVAKLLEKEKVDYLAVARTAEGIELRQNGITLPILNLGYTPDEAFEDSIKNKITMTVYSLETAQKINEIAKSLGEKACVHVKID-------FQPNE--ESVQEIIELNKLEYIDLEGMFTHFATADEVSKEYTYKQANNYKFMSDKLDEAGVKIAIKHVSNSAAIMDCPDLRLNMVRAGIILYGHYPSDDVFKDRLELRPAMKLKSKIGHIKQVEPGVGISYGLKYTTTGKETIATVPIGYADG-FTRIQKNPKVLIKGEVFDVVGRICMDQIMVRIDK-DIDIKVGDEVILFG---EGEVTAERIAKDLGTINYEVLCMISRRVDRVYME---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4LUT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -217158 for 2777 contacts (-78.2/contact) +
2D Compatibility (PS) -37743 + (NN) -15757 + (LL) 2300
1D Compatibility (HY) -26800 + (ID) 6000
Total energy: -301158.0 ( -108.45 by residue)
QMean score : 0.401
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