Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLEKVNEAVAKIRESYTGTPKIGLILGSGLGVLADEVNQPIKLSYSEIPHFPVSTVEGHAGQFVFGELENKEVVAMQGRFHFYEGYSMQDVTFPVRVMKELGVEVLIVTNAAGGVNELYSAGDLMLISDHIN---FTGTSPLIGPNDEHFGPRFPDMSEAYNLALRVDARLIAQEL--NLTIREGVYAGFSGPTYETPAEIQMMRTLGADAVGMSTVPEVIIANHAGLRVLGISCITNMAAGILD----QPLSHTEVIETTDQVRSTFLQYVKAIVAKIS
3BGS Chain:A ((25-282))
--------------------PQVAIICGSGLGGLTDKLTQAQIFDYSEIPNFPRSTVPGHAGRLVFGFLNGRACVMMQGRFHMYEGYPLWKVTFPVRVFHLLGVDTLVVTNAAGGLNPKFEVGDIMLIRDHINLPGFSGQNPLRGPNDERFGDRFPAMSDAYDRTMRQRALSTWKQMGEQRELQEGTYVMVAGPSFETVAECRVLQKLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKV--IMDYESLEKANHEEVLAAGKQAAQKLEQFVSILMASI-
General information:
TITO was launched using:
RESULT:
Template:
3BGS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -174788 for 2079 contacts (-84.1/contact) +
2D Compatibility (PS) -26294 + (NN) -7532 + (LL) 1632
1D Compatibility (HY) -25200 + (ID) 6600
Total energy: -238782.0 ( -114.85 by residue)
QMean score : 0.559
(partial model without unconserved sides chains):
PDB file :
Tito_3BGS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BGS-query.scw
PDB file :
Tito_Scwrl_3BGS.pdb
: