Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MANASLRHQLFEKLDQKCDQMVAIRRYLHENPELSFKETKTAAYISDFYK--GKDCHVQTQFGGMNGVVVDIYGDKATDKPIKHIALRADFDALPIQEETGLSFASKTAGVMHACGHDAHTAYLLILAESLIELKSEFSGHIRILHQPAEEVPPGGAKAMIEAGCLDGIDAVLGIHVMSTMEEGTVQYHAGPIQTGRATFKVILQGKGGHGSMPHRANDTIVAASSFVIAAQTIVSRRVNPFDTAVVTIGSFDGKGSANVIKDSVTLEGDVRVMSEETRGVVEEEFKRILDGIAQTY----GVSYQLDYQNDYPVLVNNSEVTQKVANSLKSVAIKEILDVIDCDPQTPSEDFAYYAQTIPACFFYVGAHEEGQPYYPHHHPKFQIAESSLMVSAKSMATAALAMLEEGE |
1XMB Chain:A ((41-425)) | ----------FAKSPEVFDWMVKIRRKIHENPELGYEELETSKLIRSELELIGIKYRYPVAITGVIGYI-------GTGEP-PFVALRADMDALPIQEGVEWEHKSKIAGKMHACGHDGHVTMLLGAAKILHEHRHHLQGTVVLIFQPAEE-GLSGAKKMREEGALKNVEAIFGIHLSARIPFGKAASRAGSFLAGAGVFEAVITGK---------TIDPVVAASSIVLSLQQLVSRETDPLDSKVVTVSKVN--------PDSITIGGTLRAFTGFTQ--LQQRVKEVITKQAAVHRCNASVNLTPNGREPMPPTVNNKDLYKQFKKVVRDLLGQEAF--VEAAPVMGSEDFSYFAETIPGHFSLLGMQDETNGYASSHSPLYRINEDVLPYGAAIHASMAVQYLKEKA |
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General information:
TITO was launched using:
| RESULT:
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Template: 1XMB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -197527 for 3174 contacts (-62.2/contact) +
2D Compatibility (PS) -38989 + (NN) -18007 + (LL) 1628
1D Compatibility (HY) -23600 + (ID) 6450
Total energy: -282945.0 ( -89.14 by residue)
QMean score : 0.527
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