Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVQKKPAELQGFHRSFKGQNPFELAFSLDQPDHGDSDFGLQCSARPDMPASQPIDIPDAKKRGKKKKRGRATDSFSGRFEDVYQLQEDVLGEGAHARVQTCINLITSQEYAVKIIEKQPGHIR--SRVFREVEMLYQCQGHRNVLELIEFFEEEDRFYLVFEKMRGGSILSHIHKRRHFNELEASVVVQDVASALDFLHNKGIAHRDLKPENILCEHPNQVSPVKICDFDLGSGIKLNGDCSPISTPELLTPCGSAEYMAPEVVEAFSEEASIYDKRCDLWSLGVILYILLSGYPPFVGRCGSDCGWDRGEACPACQNMLFESIQEGKYEFPDKDWAHISCAAKDLISKLLVRDAKQRLSAAQVLQHPWVQGCAPENTLPTPMVL-QRNSCAKDLTSFAAEAIAMNRQLAQHDEDLAEEEAAGQGQPVLVRATSRCLQLSPPSQSKLAQRRQRASLSSAPVVLVGDHA |
3NCG Chain:A ((14-314)) | ------------------------------------------------------------------------LYFQGTFAERYNIV-CMLGKGSFGEVLKCKDRITQQEYAVKVINKASAKNKDTSTILREVELLKKLD-HPNIMKLFEILEDSSSFYIVGELYTGGELFDEIIKRKRFSEHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIIDFGLSTCFQQN--------T-----IGTAYYIAPEVLRG------TYDEKCDVWSAGVILYILLSGTPPFYGKNEYD---------------ILKRVETGKYAFDLPQWRTISDDAKDLIRKMLTFHPSLRITATQCLEHPWIQKYSSET--PTISDLPSLESAMTNIRQFQAE-----KKLAQ--------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3NCG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -157999 for 2184 contacts (-72.3/contact) +
2D Compatibility (PS) -30794 + (NN) -14337 + (LL) 8368
1D Compatibility (HY) -28400 + (ID) 6200
Total energy: -229362.0 ( -105.02 by residue)
QMean score : 0.428
|
|
|