Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLEKVNEAVAKIRESYTGTPKIGLILGSGLGVLADEVNQPIKLSYSEIPHFPVSTVEGHAGQFVFGELENKEVVAMQGRFHFYEGYSMQDVTFPVRVMKELGVEVLIVTNAAGGVNELYSAGDLMLISDHIN---FTGTSPLIGPNDEHFGPRFPDMSEAYNLALRVDARLIAQEL--NLTIREGVYAGFSGPTYETPAEIQMMRTLGADAVGMSTVPEVIIANHAGLRVLGISCITNMAAGILD----QPLSHTEVIETTDQVRSTFLQYVKAIVAKIS
3K8O Chain:S ((25-282))
--------------------PQVAIICGSGLGGLTDKLTQAQIFDYSEIPNFPRSTVPGHAGRLVFGFLNGRACVMMQGRFHMYEGYPLWKVTFPVRVFHLLGVDTLVVTNAAGGLNPKFEVGDIMLIRDHINLPGFSGQNPLRGPNDERFGDRFPAMSDAYDRTMRQRALSTWKQMGEQRELQEGTYVMVAGPSFETVAECRVLQKLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKV--IMDYESLEKANHEEVLAAGKQAAQKLEQFVSILMASI-
General information:
TITO was launched using:
RESULT:
Template:
3K8O.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -177547 for 2107 contacts (-84.3/contact) +
2D Compatibility (PS) -26377 + (NN) -7340 + (LL) 1632
1D Compatibility (HY) -25200 + (ID) 6600
Total energy: -241432.0 ( -114.59 by residue)
QMean score : 0.613
(partial model without unconserved sides chains):
PDB file :
Tito_3K8O.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3K8O-query.scw
PDB file :
Tito_Scwrl_3K8O.pdb
: