Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSRSKRDNNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAILERNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIIGLLNVFTPQKSLEEFQDVYIVMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSFMMTPYVVTRYYRAPEVILG-MGYKENVDLWSVGCIMGEMVCHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQP-TVRTYVENRPKYAGYSFEKLFPDVLFPADSEHNKLKASQARDLLSKMLVIDASKRISVDEALQHPYINVWYDPSEAEAPPPKIPDKQLDEREHTIEEWKELIYKEVMDLEERTKNGVIRGQPSPLGAAVINGSQHPSSSSSVNDVSSMSTDPTLASDTDSSLEAAAGPLGCCR |
| 3K3J Chain:A ((7-348)) | ------RPTFYRQELNKTIWEVPERYQNLSPVGSG--GSVCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNI---KLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDF---------------VATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLTQMPKMNFANVFIGA--------NPL----AVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVADPY--DQSFESRDLLIDEWKSLTYDEVI------------------------------------------------------------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3K3J.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -228775 for 2484 contacts (-92.1/contact) +
2D Compatibility (PS) -34392 + (NN) -17873 + (LL) 4472
1D Compatibility (HY) -34800 + (ID) 8050
Total energy: -319418.0 ( -128.59 by residue)
QMean score : 0.481
|
|
|