Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MANASLRHQLFEKLDQKCDQMVAIRRYLHENPELSFKETKTAAYISDFYK--GKDCHVQTQFGGMNGVVVDIYGDKATDKPIKHIALRADFDALPIQEETGLSFASKTAGVMHACGHDAHTAYLLILAESLIELKSEFSGHIRILHQPAEEVPPGGAKAMIEAGCLDGIDAVLGIHVMSTMEEGTVQYHAGPIQTGRATFKVILQGKGGHGSMPHRANDTIVAASSFVIAAQTIVSRRVNPFDTAVVTIGSFDGKGSANVIKDSVTLEGDVRVMSEETRGVVEEEFKRILDGIAQTY----GVSYQLDYQNDYPVLVNNSEVTQKVANSLKSVAIKEILDVIDCDPQTPSEDFAYYAQTIPACFFYVGAHEEGQPYYPHHHPKFQIAESSLMVSAKSMATAALAMLEEGE |
| 2Q43 Chain:A ((20-404)) | ----------FAKSPEVFDWMVKIRRKIHENPELGYEELETSKLIRSELELIGIKYRYPVAITGVIGYI-------GTGEP-PFVALRADMDALPIQEGVEWEHKSKIAGKMHACGHDGHVTMLLGAAKILHEHRHHLQGTVVLIFQPAEE-GLSGAKKMREEGALKNVEAIFGIHLSARIPFGKAASRAGSFLAGAGVFEAVITGK---------TIDPVVAASSIVLSLQQLVSRETDPLDSKVVTVSKVN--------PDSITIGGTLRAFTGFTQ--LQQRVKEVITKQAAVHRCNASVNLTPNGREPMPPTVNNKDLYKQFKKVVRDLLGQEAF--VEAAPVMGSEDFSYFAETIPGHFSLLGMQDETNGYASSHSPLYRINEDVLPYGAAIHASMAVQYLKEKA |
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General information:
TITO was launched using:
| RESULT:
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Template: 2Q43.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -209099 for 3182 contacts (-65.7/contact) +
2D Compatibility (PS) -38994 + (NN) -16340 + (LL) 1628
1D Compatibility (HY) -23600 + (ID) 6450
Total energy: -292855.0 ( -92.03 by residue)
QMean score : 0.503
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