Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLGAVEGPRWKQAEDIRDIYDFRDVLGTGAFSEVILAEDKRTQKLVAIKCIAKEALEGKEGSMENEIAVLHKIKHPNIVALDDIYESGGHLYLIMQLVSGGELFDRIVEKGFYTERDASRLIFQVLDAVKYLHDLGIVHRDLKPENLLYYSLDEDSKIMISDFGLSKMEDPGSVLSTACGTPGYVAPEVLAQ---KPYSKAVDCWSIGVIAYILLCGYPPFYD-ENDAKLFEQILKAEYEFDSPYWDDISDSAKDFIRHLMEKDPEKRFTCEQALQHPWIAGDTALDKNIHQSVSEQIKKNFAKSKWKQAFNATAVVRHMRKLQLGTSQEGQGQTASHGELLTPVAGGPAAGCCCRDCCVEPGTELSPTLPHQL |
2CN8 Chain:A ((14-300)) | ---------------LRDEYIMSKTLGS----EVKLAFERKTCKKVAIKIISK--------NVETEIEILKKLNHPCIIKIKNFFDAEDY-YIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKIL--TSLMRTLC--PTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEH---VSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQ-DEDMKRKFQDLLSEE----------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2CN8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -156609 for 1877 contacts (-83.4/contact) +
2D Compatibility (PS) -27368 + (NN) -15076 + (LL) 5100
1D Compatibility (HY) -28800 + (ID) 5700
Total energy: -228453.0 ( -121.71 by residue)
QMean score : 0.470
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