Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLEKVNEAVAKIRESYTGTPKIGLILGSGLGVLADEVNQPIKLSYSEIPHFPVSTVEGHAGQFVFGELENKEVVAMQGRFHFYEGYSMQDVTFPVRVMKELGVEVLIVTNAAGGVNELYSAGDLMLISDHIN---FTGTSPLIGPNDEHFGPRFPDMSEAYNLALRVDARLIAQEL--NLTIREGVYAGFSGPTYETPAEIQMMRTLGADAVGMSTVPEVIIANHAGLRVLGISCITNMAAGILDQ----PLSHTEVIETTDQVRSTFLQYVKAIVAKIS
2AI1 Chain:A ((25-282))
--------------------PQVAVICGSGLGGLVNKLTQAQTFDYSEIPNFPES------GRLVFGILNGRACVMMQGRFHMYEGYPFWKVTFPVRVFRLLGVETLVVTNAAGGLNPNFEVGDIMLIRDHINLPGFSGENPLRGPNEERFGVRFPAMSDAYDRDMRQKAHSTWKQMGEQRELQEGTYVMLGGPNFETVAECRLLRNLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKV--IMDYESQGKANHEEVLEAGKQAAQKLEQFVSLLMASI-
General information:
TITO was launched using:
RESULT:
Template:
2AI1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -178229 for 1976 contacts (-90.2/contact) +
2D Compatibility (PS) -25834 + (NN) -8421 + (LL) 1996
1D Compatibility (HY) -24800 + (ID) 6400
Total energy: -241688.0 ( -122.31 by residue)
QMean score : 0.545
(partial model without unconserved sides chains):
PDB file :
Tito_2AI1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AI1-query.scw
PDB file :
Tito_Scwrl_2AI1.pdb
: