Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNQKAYFGEFGGSFVSELLVPALRELEQAFDTCLKDEEFQKEYFRLLKDFVGRPSPLTLCQNIVSNPKVKLYLKREDLIHGGAHKTNQALGQALLAKKMGKTRIIAETGAGQHGVATAIACALLNLKCVIFMGGKDIKRQEMNVFRMRLLGAEVREVNSGSATLKDAVNEALRDWASSYKDTHYLLGTSAGPHPYPTMVKTFQKMIGDEVKSQILEKENRLPDYVIACVGGGSNAIGIFSAFLNDKEVKLIGVEPAGLGLETNKHGATLNKGRVGILHGNKTYLLQDDEGQIAESHSISAGLDYPGVGPEHSYLKEIGRAVYESASDIEALEAFRLLCQKEGIIPALESSHALAYALKLAQKCA-QEKIIVVNLSGRGDKDLSTVYNALKGGLK |
2DH6 Chain:A ((17-392)) | --------------VPQILMPALRQLEEAFVSAQKDPEFQAQFNDLLKNYAGRPTALTKCQNITAGTNTTLYLKREDLLHGGAHKTNQVLGQALLAKRMGKTEIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRLMGAEVIPVHSGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIVREFQRMIGEETKAQILEREGRLPDAVIACVGGGSNAIGMFADFINETNVGLIGVEPG--------------------------------------------------VGPQHAYLNSTGRADYVSITDDEALEAFKTLCLHEGIIPALESSHALAHALKMMRENPDKEQLLVVNLSGRGDKDIFTVHDILKARGE |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2DH6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -171725 for 2884 contacts (-59.5/contact) +
2D Compatibility (PS) -36471 + (NN) -24861 + (LL) 2048
1D Compatibility (HY) -30400 + (ID) 11000
Total energy: -272409.0 ( -94.46 by residue)
QMean score : 0.557
|
|
|