Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLGAVEGPRWKQAEDIRDIYDFRDVLGTGAFSEVILAEDK---RTQKLVAIKCIAKEALEGK-EGSMENEIAVLHKIKHPNIVALDDIYESGGHLYLIMQLVSGGELFDRIVEKGFYTERDASRLIFQVLDAVKYLHDLGIVHRDLKPENLLYYSLDEDSKIMISDFGLSKMEDPGSVLSTACGTPGYVAPEVLAQKPYSKAVDCWSIGVIAYILLCGYPPFYDENDAKLFEQILKAEYEFDSPYWDDISDSAKDFIRHLMEKDPEKRFTC-----EQALQHPWIAGDTALDKNIHQSVSEQIKKNFAKSKWKQAFNATAVVRHMRKLQLGTSQEGQGQTASHGELLTPVAGGPAAGCCCRDCCVEPGTELSPTLPHQL |
3UBD Chain:A ((24-287)) | -----------------SQFELLKVLGQGSFGKVFLVKKISGSDARQLYAMKVLKKATLKVRDRV------DILVEVNHPFIVKLHYAFQTEGKLYLILDFLRGGDLFTRLSKEVMFTEEDVKFYLAELALALDHLHSLGIIYRDLKPENILL---DEEGHIKLTDFGLSK----EKKAYSFCGTVEYMAPEVVNRRGHTQSADWWSFGVLMFEMLTGTLPFQGKDRKETMTMILKAKLGM----PQFLSPEAQSLLRMLFKRNPANRLGAGPDGVEEIKRHSFFST-------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3UBD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -144241 for 1797 contacts (-80.3/contact) +
2D Compatibility (PS) -25918 + (NN) -12027 + (LL) 6988
1D Compatibility (HY) -22800 + (ID) 4150
Total energy: -202148.0 ( -112.49 by residue)
QMean score : 0.472
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