Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLGAVEGPRWKQAEDIRDIYDFRDVLGTGAFSEVILAEDKRTQKLVAIKCIAKEALEGKEGSMENEIAVLHKIKHPNIVALDDIYESGGHLYLIMQLVSGGELFDRIVEKGFYTERDASRLIFQVLDAVKYLHDLGIVHRDLKPENLLYYSLDEDSKIMISDFGLSKMEDPGSVLSTACGTPGYVAPEVLAQ---KPYSKAVDCWSIGVIAYILLCGYPPFYD-ENDAKLFEQILKAEYEFDSPYWDDISDSAKDFIRHLMEKDPEKRFTCEQALQHPWIAGDTALDKNIHQSVSEQIKKNFAKSKWKQAFNATAVVRHMRKLQLGTSQEGQGQTASHGELLTPVAGGPAAGCCCRDCCVEPGTELSPTLPHQL |
| 2CN5 Chain:A ((14-300)) | ---------------LRDEYIMSKTLGSGACGEVKLAFERKTCKKVAIKIISKR-------NVETEIEILKKLNHPCIIKIKNFFDAEDY-YIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILGETSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQ-DEDMKRKFQDLLSEE----------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2CN5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -164272 for 2018 contacts (-81.4/contact) +
2D Compatibility (PS) -28516 + (NN) -15735 + (LL) 5308
1D Compatibility (HY) -29200 + (ID) 5900
Total energy: -238315.0 ( -118.09 by residue)
QMean score : 0.436
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