Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIYLDNAATTALTPSVIEKMTNVMTSN--YGNPSS-IHTFGRQANQLLRECRQIIAEYLNVNSREIIFTSGGTESNNTAIKGYALANQLKGKHIITSEIEHHSVLHTMTYLSERFGFDITYLKPNH-GQITAKDVQEALRDDTIMVSLMFANNETGDFLPIQEIGQLLRNHQAVFHVDAVQVFSKMELDPHSLGIDFLAASAHKFHGPKGVGILYC--APH-HFDSLLHGGDQEEKRRASTENIIGIAGMSQALTDATTNTLKNWTHISQLRTTFLDAISDL-DFYLNNG-QDCLPHVLNIGFPR-QNNGLLLTQLDLAGFAVSTGSACTAGTVEPSHVLTSLYGANSPRLNESIRISFSELNTQEEILELAKTLRKIIGD |
3LVK Chain:A ((24-397)) | -IYLDYSATTPVDPRVAEKMMQFMTMDGTFGNPASRSHRFGWQAEEAVDIARNQIADLVGADPREIVFTSGATESDNLAIKGAANFYQKKGKHIITSKTEHKAVLDTCRQL-EREGFEVTYLAPQRNGIIDLKELEAAMRDDTILVSIMHVNNEIGVVQDIAAIGEMCRARGIIYHVDATQSVGKLPIDLSQLKVDLMSFSGHKIYGPKGIGALYVRRKPRVRIEAQMHGGGHERGMRSGTLPVHQIVGMGEAYRIAKEEMATEMERLRGLRNRLWNGIKDIEEVYLNGDLEHGAPNILNVSFNYVEGESLIMALKDL---AVSSGSAC----LEPSYVLRAL-GLNDELAHSSIRFSLGRFTTEEEIDYTIELVRKSIGR |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3LVK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -185492 for 3159 contacts (-58.7/contact) +
2D Compatibility (PS) -38716 + (NN) -10215 + (LL) 452
1D Compatibility (HY) -26400 + (ID) 7850
Total energy: -268221.0 ( -84.91 by residue)
QMean score : 0.506
|
|
|