Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLEKVNEAVAKIRESYTGTPKIGLILGSGLGVLADEVNQPIKLSYSEIPHFPVSTVEGHAGQFVFGELENKEVVAMQGRFHFYEGYSMQDVTFPVRVMKELGVEVLIVTNAAGGVNELYSAGDLMLISDHIN---FTGTSPLIGPNDEHFGPRFPDMSEAYNLALRVDARLIAQEL--NLTIREGVYAGFSGPTYETPAEIQMMRTLGADAVGMSTVPEVIIANHAGLRVLGISCITNMAAGILD----QPLSHTEVIETTDQVRSTFLQYVKAIVAKIS
4ECE Chain:D ((60-317))
--------------------PQVAIICGSGLGGLTDKLTQAQIFDYSEIPNFPRSTVPGHAGRLVFGFLNGRACVMMQGRFHMYEGYPLYKVTFPVRVFHLLGVDTLVVTNAAGGLNPKFEVGDIMLIRDHINLPGFSGQNPLRGPNDERFGDRFPAMSDAYDRTMRQRALSTYKQMGEQRELQEGTYVMVAGPSFETVAECRVLQKLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKV--IMDYESLEKANWEEVLAAGKQAAQKLEQFVSILMASI-
General information:
TITO was launched using:
RESULT:
Template:
4ECE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -177010 for 2052 contacts (-86.3/contact) +
2D Compatibility (PS) -26450 + (NN) -8695 + (LL) 1632
1D Compatibility (HY) -25200 + (ID) 6550
Total energy: -242273.0 ( -118.07 by residue)
QMean score : 0.581
(partial model without unconserved sides chains):
PDB file :
Tito_4ECE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4ECE-query.scw
PDB file :
Tito_Scwrl_4ECE.pdb
: