Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQFEHLVQVNDRTLVDLPVLDRLQLWEGLV-CRAREPQYFVVG-LERFEILVDD-GDRLHRRLYL-PGL---VVEDEVV-LKAPDS-AHYSIKPSAEVAG--G--SLDMTIEEPEPGSLFVRFAYCTRYLQPLGDELPYDAFVKQAYIAMDVETIATIRDRFGASAASGS
3IE5 Chain:A ((11-161))
-TIVKEEESPIAP---------HRLFKALVLERHQVLVKAQPHVFKSGEIIEGDGGVGTVTKITFVDGHPLTYMLHKFDEIDAANFYCKYTLFEGDVLRDNIEKVVYEVKLEAVG-GGSKGKITVTYHPKPGC----TVNEEEVKIGEKKAYEFYKQVEEYLAANPEVFA
General information:
TITO was launched using:
RESULT:
Template:
3IE5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -55640 for 917 contacts (-60.7/contact) +
2D Compatibility (PS) -14821 + (NN) -2840 + (LL) 820
1D Compatibility (HY) -800 + (ID) 750
Total energy: -74031.0 ( -80.73 by residue)
QMean score : 0.247
(partial model without unconserved sides chains):
PDB file :
Tito_3IE5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IE5-query.scw
PDB file :
Tito_Scwrl_3IE5.pdb
: