Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLLEKINETRDFLQAKGVTAPEFGLILGSGLGELAEEIENPIVVDYADIPNWGQSTVVGHAGKLVYGDLSGRKVLALQGRFHFYEGNTMEIVTFPVRIMRALACHSVLVTNAAGGIGYGPGTLMLIKDHINVIGTNPLIGENLEEFGPRFPDMSDAYTATYRQKAHQIAEKQNIKLEEGVYLGVSGPTYETPAEIRAFQTMGAQAVGMSTVPEVIVAAHSGLKVLGISAITNFAAGFQSELNHEEVVEVTQRIKEDFKGLVKSLVAEL
3LA8 Chain:A ((36-303))
-SLLKKIYETRDFLTAKGVQKPEFGLILGSGLGELAEEIENALVLNYADIPNWG---------KLIYGELAGRKVLALQ-RFHYYEG-SMELVTFPIRIMKALGCQGLIVTNAAGGIGFGPGTLMAISDHINLTGANPLMG-NLDDFGFRFPDMSNAYTADYREVAHQVADKIGIKLDEGVYIGVSGPSYETPAEIRAFKTLGADAVGMSTVPEVIVAVHSGLKVLGISAITNYAAGF---------VAVTQQIKEDFKGLVKAILVEL
General information:
TITO was launched using:
RESULT:
Template:
3LA8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -193397 for 2113 contacts (-91.5/contact) +
2D Compatibility (PS) -26143 + (NN) -8887 + (LL) 1168
1D Compatibility (HY) -34800 + (ID) 9600
Total energy: -271659.0 ( -128.57 by residue)
QMean score : 0.586
(partial model without unconserved sides chains):
PDB file :
Tito_3LA8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3LA8-query.scw
PDB file :
Tito_Scwrl_3LA8.pdb
: