Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLGAVEGPRWKQAEDIRDIYDFRDVLGTGAFSEVILAEDKRTQKLVAIKCIAKEALEGKEG--SMENEIAVLHKIKHPNIVALDDIYESGGHLYLIMQLVSGGELFDRIVEKGFYTERDASRLIFQVLDAVKYLHDLGIVHRDLKPENLLYYSLDEDSKIMISDFGLSKMEDPGSVLSTACGTPGYVAPEVLAQ---KPYSKAVDCWSIGVIAYILLCGYPPFYD-ENDAKLFEQILKAEYEFDSPYWDDISDSAKDFIRHLMEKDPEKRFTCEQALQHPWIAGDTALDKNIHQSVSEQIKKNFAKSKWKQAFNATAVVRHMRKLQLGTSQEGQGQTASHGELLTPVAGGPAAGCCCRDCCVEPGTELSPTLPHQL |
4BDK Chain:A ((14-300)) | ---------------LRDEYIMSKTLG----GEVKLAFERKTCKKVAIKIISK--------ALNVETEIEILKKLNHPCIIKIKNFFDAEDY-YIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILGETSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQ-DEDMKRKFQDLLSEE----------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4BDK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -161594 for 1959 contacts (-82.5/contact) +
2D Compatibility (PS) -28060 + (NN) -15528 + (LL) 5568
1D Compatibility (HY) -28800 + (ID) 5800
Total energy: -234214.0 ( -119.56 by residue)
QMean score : 0.475
|
|
|