Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLEKVNEAVAKIRESYTGTPKIGLILGSGLGVLADEVNQPIKLSYSEIPHFPVSTVEGHAGQFVFGELENKEVVAMQGRFHFYEGYSMQDVTFPVRVMKELGVEVLIVTNAAGGVNELYSAGDLMLISDHIN---FTGTSPLIGPNDEHFGPRFPDMSEAYNLALRVDARLIAQEL--NLTIREGVYAGFSGPTYETPAEIQMMRTLGADAVGMSTVPEVIIANHAGLRVLGISCITNMAAGILDQ----PLSHTEVIETTDQVRSTFLQYVKAIVAKIS
2AI2 Chain:A ((25-282))
--------------------PQVAVICGSGLGGLVNKLTQAQTFDYSEIPNFPES------GRLVFGILNGRACVMMQGRFHMYEGYPFWKVTFPVRVFRLLGVETLVVTNAAGGLNPNFEVGDIMLIRDHINLPGFSGENPLRGPNEERFGVRFPAMSDAYDRDMRQKAHSTWKQMGEQRELQEGTYVMLGGPNFETVAECRLLRNLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKV--IMDYESQGKANHEEVLEAGKQAAQKLEQFVSLLMASI-
General information:
TITO was launched using:
RESULT:
Template:
2AI2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -171456 for 2010 contacts (-85.3/contact) +
2D Compatibility (PS) -25755 + (NN) -6605 + (LL) 1996
1D Compatibility (HY) -24800 + (ID) 6400
Total energy: -233020.0 ( -115.93 by residue)
QMean score : 0.543
(partial model without unconserved sides chains):
PDB file :
Tito_2AI2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AI2-query.scw
PDB file :
Tito_Scwrl_2AI2.pdb
: