Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLEKVNEAVAKIRESYTGTPKIGLILGSGLGVLADEVNQPIKLSYSEIPHFPVSTVEGHAGQFVFGELENKEVVAMQGRFHFYEGYSMQDVTFPVRVMKELGVEVLIVTNAAGGVNELYSAGDLMLISDHIN---FTGTSPLIGPNDEHFGPRFPDMSEAYNLALRVDARLIAQEL--NLTIREGVYAGFSGPTYETPAEIQMMRTLGADAVGMSTVPEVIIANHAGLRVLGISCITNMAAGILDQPLSHTEVIETTDQVRSTFLQYVKAIVAKIS
2AI3 Chain:A ((25-282))
--------------------PQVAVICGSGLGGLVNKLTQAQTFDYSEIPNFPES------GRLVFGILNGRACVMMQGRFHMYEGYPFWKVTFPVRVFRLLGVETLVVTNAAGGLNPNFEVGDIMLIRDHINLPGFSGENPLRGPNEERFGVRFPAMSDAYDRDMRQKAHSTWKQMGEQRELQEGTYVMLGGPNFETVAECRLLRNLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKV--IMDYKANHEEVLEAGKQAAQKLEQFVSLLMASI-
General information:
TITO was launched using:
RESULT:
Template:
2AI3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -173734 for 1961 contacts (-88.6/contact) +
2D Compatibility (PS) -25967 + (NN) -9164 + (LL) 1996
1D Compatibility (HY) -24800 + (ID) 6400
Total energy: -238069.0 ( -121.40 by residue)
QMean score : 0.564
(partial model without unconserved sides chains):
PDB file :
Tito_2AI3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AI3-query.scw
PDB file :
Tito_Scwrl_2AI3.pdb
: