Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDKIKIVLVDDHEMVRLGLKSFLNLQADVEVIGEASNGLEGIKKALELRPDVVVMDLVMPEMDGVEATLALLKDWPEAAILVLTSYLDNEKIYPVIEAGAKGYMLKTSSAAEILNAIRKVARGEQAIENEVDKKIKAHDKCPA-LHEGLTARERDILNLLAKGYDNQRIADELFISLKTVKTHVSNILGKLNVADRTQAVVYAFQHHLVPQDDE
4GVP Chain:A ((2-207))
---IKVLFVDDHEMVRIGISSYLSTQSDIEVVGEGASGKEAIAKAHELKPDLILMDLLMEDMDGVEATTQIKKDLPQIKVLMLTSFIEDKEVYRALDAGVDSYILKTTSAKDIADAVRKTSRGESVFEPEVLVKMRNRMKKRAELYEMLTEREMEILLLIAKGYSNQEIASASHITIKTVKTHVSNILSKLEVQDRTQAVIYAFQHNLIQ----
General information:
TITO was launched using:
RESULT:
Template:
4GVP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -125577 for 1667 contacts (-75.3/contact) +
2D Compatibility (PS) -21670 + (NN) -6853 + (LL) 24
1D Compatibility (HY) -22000 + (ID) 5600
Total energy: -181676.0 ( -108.98 by residue)
QMean score : 0.655
(partial model without unconserved sides chains):
PDB file :
Tito_4GVP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4GVP-query.scw
PDB file :
Tito_Scwrl_4GVP.pdb
: