Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKFKRRLSLTLRGSQTIDESLSELAEQMTIEENSSKDNEPIVKNGRPPTSHSMHSFLHQYTGSFKKPPLRRPHSVIGGSLGSFMAMPRNGSRLDIVHENLKMGSDGESDQASGTSSDEVQSPTGVCLRNRIHRRISMEDLNKRLSLPADIRIPDGYLEKLQINSPPFDQPMSRRSRRASLSEIGFGKMETYIKLEKLGEGTYATVYKGRSK--LTENLVALKEIRLEHEEGAPCTAIREVSLLKDLKHANIVTLHDIV--HTDKSLTLVFEYLDKDLKQYMDDCG---NIMSMHNVKLFLYQILRGLAYCHRRKVLHRDLKPQNLLI----NEKGELKLADFGLARAKSVPTKTYSNEVVTLWYRPPDVLLGSSEYSTQIDMWGVGCIFFEMASGRPLFPGSTV----EDELHLIFRLLGTPSQETWPGISSNEEFK----NYNFPKYKPQPL----INHAPRLDSEGIELITKFLQYESKKRVSAEEAMKHVYFRSLGPRIHALPESVSIFSLKEIQLQKDPGFRNSSYPETGHGKNRRQSMLF |
4F6U Chain:A ((27-339)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------CKVGRGTYGHVYKAKRKDGKDDKDYALKQIE---GTGISMSACREIALLRELKHPNVISLQKVFLSHADRKVWLLFDYAEHDLWHIIKFHRASKVQLPRGMVKSLLYQILDGIHYLHANWVLHRDLKPANILVMGEGPERGRVKIADMGF--------------VVTFWYRAPELLLGARHYTKAIDIWAIGCIFAELLTSEPIFHCRQENPYHHDQLDRIFNVMGFPADKDWEDIKKMPEHSTLMKDFRRNTYTNCSLIKYMEKHKVKPDSKAFHLLQKLLTMDPIKRITSEQAMQDPYFLE------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4F6U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -140535 for 1947 contacts (-72.2/contact) +
2D Compatibility (PS) -27842 + (NN) -14686 + (LL) 12680
1D Compatibility (HY) -28000 + (ID) 5100
Total energy: -203483.0 ( -104.51 by residue)
QMean score : 0.220
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