Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLLEKINETRDFLQAKGVTAPEFGLILGSGLGELAEEIENPIVVDYADIPNWGQSTVVGHAGKLVYGDLSGRKVLALQGRFHFYEGNTMEIVTFPVRIMRALACHSVLVTNAAGGIGYGPGTLMLIKDHINVIGTNPLIGENLEEFGPRFPDMSDAYTATYRQKAHQIAEKQNIKLEEGVYLGVSGPTYETPAEIRAFQTMGAQAVGMSTVPEVIVAAHSGLKVLGISAITNFAAGFQSELNHEEVVEVTQRIKEDFKGLVKSLVAEL
3LBA Chain:A ((35-303))
MSLLKKIYETRDFLTAKGVQKPEFGLILGSGLGELAEEIENALVLNYADIPNWGRS------GKLIYGELAGRKVLALQGRFHYYEGNSMELVTFPIRIMKALGCQGLIVTNAAGGIGFGPGTLMAISDHINLTGANPLMGENLDDFGFRFPDMSNAYTADYREVAHQVADKIGIKLDEGVYIGVSGPSYETPAEIRAFKTLGADAVGMSTVPEVIVAVHSGLKVLGISAITNYAAGFQSELN---VVAVTQQIKEDFKGLVKAILVEL
General information:
TITO was launched using:
RESULT:
Template:
3LBA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -181527 for 2250 contacts (-80.7/contact) +
2D Compatibility (PS) -27318 + (NN) -7782 + (LL) 704
1D Compatibility (HY) -36000 + (ID) 10200
Total energy: -262123.0 ( -116.50 by residue)
QMean score : 0.626
(partial model without unconserved sides chains):
PDB file :
Tito_3LBA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3LBA-query.scw
PDB file :
Tito_Scwrl_3LBA.pdb
: