Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLEKVNEAVAKIRESYTGTPKIGLILGSGLGVLADEVNQPIKLSYSEIPHFPVSTVEGHAGQFVFGELENKEVVAMQGRFHFYEGYSMQDVTFPVRVMKELGVEVLIVTNAAGGVNELYSAGDLMLISDHINFTGTSPLIGPNDEHFGPRFPDMSEAYNLALRVDARLIAQELNLTIREGVYAGFSGPTYETPAEIQMMRTLGADAVGMSTVPEVIIANHAGLRVLGISCITNMAAGILDQPLSHTEVIETTDQVRSTFLQYVKAIVAKIS
3LA8 Chain:A ((38-303))
--LKKIYETRDFLTAKGVQKPEFGLILGSGLGELAEEIENALVLNYADIPNWG---------KLIYGELAGRKVLALQ-RFHYYEG-SMELVTFPIRIMKALGCQGLIVTNAAGGIG--FGPGTLMAISDHINLTGANPLMG-NLDDFGFRFPDMSNAYTADYREVAHQVADKIGIKLDEGVYIGVSGPSYETPAEIRAFKTLGADAVGMSTVPEVIVAVHSGLKVLGISAITNYAAGF----------VAVTQQIKEDFKGLVKAILVEL-
General information:
TITO was launched using:
RESULT:
Template:
3LA8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -198990 for 2092 contacts (-95.1/contact) +
2D Compatibility (PS) -25956 + (NN) -10784 + (LL) 1188
1D Compatibility (HY) -28400 + (ID) 6650
Total energy: -269592.0 ( -128.87 by residue)
QMean score : 0.534
(partial model without unconserved sides chains):
PDB file :
Tito_3LA8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3LA8-query.scw
PDB file :
Tito_Scwrl_3LA8.pdb
: