Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLEKVNEAVAKIRESYTGTPKIGLILGSGLGVLADEVNQPIKLSYSEIPHFPVSTVEGHAGQFVFGELENKEVVAMQGRFHFYEGYSMQDVTFPVRVMKELGVEVLIVTNAAGGVNELYSAGDLMLISDHIN---FTGTSPLIGPNDEHFGPRFPDMSEAYNLALRVDARLIAQELNLT--IREGVYAGFSGPTYETPAEIQMMRTLGADAVGMSTVPEVIIANHAGLRVLGISCITNMAAGILDQPLSHTEVIETTDQVRSTFLQYVKAIVAKIS
3KHS Chain:B ((8-279))
------KETAAWLNKQLQIRPVLGIVCGSGLGKIGDSLETSITVAYSDIPNFPVG-----AGSLIFGSVNGVSCVCMKGRFHLYEGHTAARATFPMRVFKALGVKIVVLTNAAGGLNPSYRPGDFMVVRDHINLPGLAGANPLTGPNDDTEGERFPSMTSVYDKTLRKYAISAARELGMSYATHEGVYCCVNGPSFETPAECKILRLMGSDAVGMSTAPETIVAKHGGMRCLAVSLISNVIASNCE------EVLRAGEEASARMTALVKLVIEKI-
General information:
TITO was launched using:
RESULT:
Template:
3KHS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -190112 for 2132 contacts (-89.2/contact) +
2D Compatibility (PS) -27143 + (NN) -11417 + (LL) 1132
1D Compatibility (HY) -24000 + (ID) 5600
Total energy: -257140.0 ( -120.61 by residue)
QMean score : 0.532
(partial model without unconserved sides chains):
PDB file :
Tito_3KHS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KHS-query.scw
PDB file :
Tito_Scwrl_3KHS.pdb
: