Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEFLLDTLNLEAIKKWHHILPLAGVTSNPTIAKKEGDIHFFQRIRDVREIIGREASLHVQVVAKDYQGILDDAAKIRQETDDDIYIKVPVTPDGLAAIKTLKAEGYNITATAIYTSMQGLLAISAGADYLAPYFNRMENLDIDATQVIKELAQAIERTGSSSKILAASFKNASQVTKALSQGAQSITAGPDIFESVFAMPSIAKAVNDFADDWKASQHSEHI
1VPX Chain:T ((13-222))
MKIFLDTANLEEIKKGVEWGIVDGVTTNPT-------------VKEICDLV--KGPVSAEVVSLDYEGMVREARELAQ-ISEYVVIKIPMTPDGIKAVKTLSAEGIKTNVTLVFSPAQAILAAKAGATYVSPFVGRMDDLSNDGMRMLGEIVEIYNNYGFETEIIAASIRHPMHVVEAALMGVDIVTMPFAVLEKLFKHPMTDLGIERFMEDWKKYLEN---
General information:
TITO was launched using:
RESULT:
Template:
1VPX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -120484 for 1619 contacts (-74.4/contact) +
2D Compatibility (PS) -21379 + (NN) -6197 + (LL) 1332
1D Compatibility (HY) -17600 + (ID) 3300
Total energy: -167628.0 ( -103.54 by residue)
QMean score : 0.455
(partial model without unconserved sides chains):
PDB file :
Tito_1VPX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1VPX-query.scw
PDB file :
Tito_Scwrl_1VPX.pdb
: