Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLEKVNEAVAKIRESYTGTPKIGLILGSGLGVLADEVNQPIKLSYSEIPHFPVSTVEGHAGQFVFGELENKEVVAMQGRFHFYEGYSMQDVTFPVRVMKELGVEVLIVTNAAGGVNELYSAGDLMLISDHIN---FTGTSPLIGPNDEHFGPRFPDMSEAYNLALRVDARLIAQEL--NLTIREGVYAGFSGPTYETPAEIQMMRTLGADAVGMSTVPEVIIANHAGLRVLGISCITNMAAGILD----QPLSHTEVIETTDQVRSTFLQYVKAIVAKIS
2OC4 Chain:A ((25-282))
--------------------PQVAIICGSGLGGLTDKLTQAQIFDYSEIPNFPRSTVPGHAGRLVFGFLNGRACVMMQGRFHMYEGYPLWKVTFPVRVFHLLGVDTLVVTNAAGGLNPKFEVGDIMLIRDHINLPGFSGQNPLRGPNDERFGDRFPAMSDAYDRTMRQRALSTWKQMGEQRELQEGTYVMVAGPSFETVAECRVLQKLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKV--IMDYESLEKANDEEVLAAGKQAAQKLEQFVSILMASI-
General information:
TITO was launched using:
RESULT:
Template:
2OC4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -162728 for 2027 contacts (-80.3/contact) +
2D Compatibility (PS) -26372 + (NN) -7584 + (LL) 1632
1D Compatibility (HY) -25200 + (ID) 6550
Total energy: -226802.0 ( -111.89 by residue)
QMean score : 0.556
(partial model without unconserved sides chains):
PDB file :
Tito_2OC4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OC4-query.scw
PDB file :
Tito_Scwrl_2OC4.pdb
: