Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VIRFFKIVTPILLSISLVACSSASGKTEKITAPIEKDRNLSMVVTTDVHYFAPSLTDNGKAFEKYVAAGDGKQLAYSDEITDAFLADVESKKTDVLIISGDLTNNGEKTSHEELAKKLTQVEKNGTQVFVVPGNHDINNPWARKFEKDKQLPTDTISPTDFSKIYGDFGYEDAISSDEFSLSYLAAPSSKVWLLMLDTAIYKTNMQQGNPTTEGGLTAGTLDWIKESSALAKKNGAKLIPVLHHNLTDHNDVIQKGYTINYNQQVIDALTEGAMDFSLSGHIHTQNIRSAKSTDGKEITDIVTNALSV-----FPHKYGNITYSAKNKNFTYQSQKLDMEAWAKAQGSTDENLLNFDQFDYETFYNSGYDKAMMDLMTDESYDKYNQADKEKMADTMGLNNMYFFAGTAPPKSDGMALWDSAPNSFLKDYVLSSSNPPKKSNDYYVSP |
3CK2 Chain:A ((4-163)) | ------------------------------------MAKQTIIVMSDSHGDSL--------------------------IVEEVRDRYV-GKVDAVFHNGDSELRPDSP-----------L---WEGIRVVKGNMDFYAGY-------------------------------------------------------------P------------------ERLVT------ELGSTKIIQTHGHLFDINF---------NFQKLDYWAQEEEAAICLYGHLHVPSAWLE-----GKILFLNPGSISQPRGTIRECLYARVEIDDS--YFKVDFLTRD-------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CK2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -74396 for 1270 contacts (-58.6/contact) +
2D Compatibility (PS) -17197 + (NN) -5880 + (LL) 14956
1D Compatibility (HY) -2800 + (ID) 1500
Total energy: -86817.0 ( -68.36 by residue)
QMean score : 0.397
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