Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIKARFKKRLLGSRGAFDLNIDLEIKEAEVVALLGESGAGKSTILRILAGLEAVSSGYIEANHSVWLDTQKKIFLKPQQRKIGFVFQDYALFPHLNVYQNIAF----AHPKDK---NKIHEVLRLMRLENLSQQKIPKLSGGQAQRVALARALIAAKNLLLLDEPLNALDNALKNEVQQGLLDFIKRENLSVLLVSHDPNEITKLARTFLFLNNGVIDPNQENRLFSNRLLVKPLFEDENYCHYEVIPQTISLPKDCLNPTFKLDFIQNKKF
3PUZ Chain:B ((21-210))
-------------------DINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDT------PPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAGFIGSPKMNFLPVKVTATAIDQVQVELPMPNRQQVW
General information:
TITO was launched using:
RESULT:
Template:
3PUZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -131638 for 1347 contacts (-97.7/contact) +
2D Compatibility (PS) -19397 + (NN) -6653 + (LL) 2296
1D Compatibility (HY) -18400 + (ID) 3800
Total energy: -177592.0 ( -131.84 by residue)
QMean score : 0.526
(partial model without unconserved sides chains):
PDB file :
Tito_3PUZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PUZ-query.scw
PDB file :
Tito_Scwrl_3PUZ.pdb
: