Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLLEKINETRDFLQAKGVTAPEFGLILGSGLGELAEEIENPIVVDYADIPNWGQSTVVGHAGKLVYGDLSGRKVLALQGRFHFYEGNTMEIVTFPVRIMRALACHSVLVTNAAGGI--GYGPGTLMLIKDHIN---VIGTNPLIGENLEEFGPRFPDMSDAYTATYRQKAHQIAEKQNIKL--EEGVYLGVSGPTYETPAEIRAFQTMGAQAVGMSTVPEVIVAAHSGLKVLGISAITNFAAG---FQSELNHEEVVEVTQRIKEDFKGLVKSLVAEL
3KHS Chain:C ((1-279))
MTDYDLAKETAAWLNKQLQIRPVLGIVCGSGLGKIGDSLETSITVAYSDIPNFPVGS----AGSLIFGSVNGVSCVCMKGRFHLYEGHTAARATFPMRVFKALGVKIVVLTNAAGGLNPSYRPGDFMVVRDHINLPGLAGANPLTGPNDDTEGERFPSMTSVYDKTLRKYAISAARELGMSYATHEGVYCCVNGPSFETPAECKILRLMGSDAVGMSTAPETIVAKHGGMRCLAVSLISNVIASNCET-----------AGEEASARMTALVKLVIEKI
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) -155268 for 2160 contacts (-71.9/contact) +
2D Compatibility (PS) -26890 + (NN) -7314 + (LL) 1288
1D Compatibility (HY) -22800 + (ID) 5250
Total energy: -216234.0 ( -100.11 by residue)
QMean score : 0.566
(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
: