Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MNQKAYFGEFGGSFVSELLVPALRELEQAFDTCLKDEEFQKEYFRLLKDFVGRPSPLTLCQNIVSNPKVKLYLKREDLIHGGAHKTNQALGQALLAKKMGKTRIIAETGAGQHGVATAIACALLNLKCVIFMGGKDIKRQEMNVFRMRLLGAEVREVNSGSATLKDAVNEALRDWASSYKDTHYLLGTSAGPHPYPTMVKTFQKMIGDEVKSQILEKENRLPDYVIACVGGGSNAIGIFSAFLNDKEVKLIGVEPAGLGLETNKHGATLNKGRVGILHGNKTYLLQDDEGQIAESHSISAGLDYPGVGPEHSYLKEIGRAVYESASDIEALEAFRLLCQKEGIIPALESSHALAYALKLA-QKCAQEKIIVVNLSGRGDKDLSTVYNALKGGLK |
| 3CEP Chain:B ((7-391)) | -----YFGEFGGMYVPQILMPALNQLEEAFVSAQKDPEFQAQFADLLKNYAGRPTALTKCQNITAGTRTTLYLKREDLLHGGAHKTNQVLGQALLAKRMGKSEIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRLMGAEVIPVHSGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIVREFQRMIGEETKAQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVGLIGVEPGGHGIETGEHGAPLKHGRVGIYFGMKAPMMQTADGQIEESYSISAGLDFPSVGPQHAYLNSIGRADYVSITDDEALEAFKTLCRHEGIIPALESSHALAHALKMMREQPEKEQLLVVNLSGRGDKDIFTVHDILKAR-- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3CEP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -129954 for 3837 contacts (-33.9/contact) +
2D Compatibility (PS) -42643 + (NN) -25361 + (LL) 112
1D Compatibility (HY) -36400 + (ID) 12800
Total energy: -247046.0 ( -64.39 by residue)
QMean score : 0.524
|
|
|