Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIKVLLVDDHEMVRIGVSAYLSVQDDMEVVGEAENGREGADMALELRPDIILMDLVMDEMDGIEATKEIMQNWKEAKIIIVTSFIDDEKVYPALEAGASSYMLKTSTASEIADAIRATYGGDSVLEPEVTGKMMQRLTAKPEKNLHDDLTNRENEILLLIAEGKSNQEIADELFITLKTVKTHVSNILSKLDVQDRTQAAIYAFKHDLVEKK
4LE1 Chain:A ((5-131))
MISIFIAEDQQMLLGALGSLLNLEDDMEVVGKGTTGQDAVDFVKKRQPDVCIMDIEMPGKTGLEAAEELKDTG--CKIIILTTFARPGYFQRAIKAGVKGYLLKDSPSEELANAIRSVMNGKRIYAPEL-----------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4LE1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -83999 for 982 contacts (-85.5/contact) +
2D Compatibility (PS) -14087 + (NN) -3961 + (LL) 6952
1D Compatibility (HY) -11600 + (ID) 2200
Total energy: -108895.0 ( -110.89 by residue)
QMean score : 0.549
(partial model without unconserved sides chains):
PDB file :
Tito_4LE1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4LE1-query.scw
PDB file :
Tito_Scwrl_4LE1.pdb
: