Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLLYEGKAKRIFSTNQENELRVEYKDEVTAGNGAKKDTMAGKGRLNNQITSIIFKYLQENGIESHFIKQLSETEQLVKPVKIIPLEVVVRNIASGSITKRLGFENGEVFREPLVEFFYKNDALNDPLITDDHVKLLNIASDEDIEILKSKALKINNVLKQLMDAMNLKLVDFKIEFGKTETGQILLADEISPDTCRIWDKATNANFDKDVYRNNTGSLIETYQIFLNKLEDLK
2GQS Chain:B ((7-232))
---LYRGKAKTVYSTENPDLLVLEFRNDTSAGDGARIEQFDRKGMVNNKFNYFIMSKLAEAGIPTQMERLLSDTECLVKKLDMVPVECVVRNRAAGSLVKRLGIEEGIELNPPLFDLFLKNDAMHDPMVNESYCETFGWVSKENLARMKELTYKANDVLKKLFDDAGLILVDFKLEFGLYK-GEVVLGDEFSPDGSRLWDKETLEKMDKDRFRQSLGGLIEAYEAVARRL----
General information:
TITO was launched using:
RESULT:
Template:
2GQS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -64194 for 1783 contacts (-36.0/contact) +
2D Compatibility (PS) -24223 + (NN) -7058 + (LL) 756
1D Compatibility (HY) -21600 + (ID) 4750
Total energy: -121069.0 ( -67.90 by residue)
QMean score : 0.433
(partial model without unconserved sides chains):
PDB file :
Tito_2GQS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GQS-query.scw
PDB file :
Tito_Scwrl_2GQS.pdb
: