Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLLEKINETRDFLQAKGVTAPEFGLILGSGLGELAEEIENPIVVDYADIPNWGQSTVVGHAGKLVYGDLSGRKVLALQGRFHFYEGNTMEIVTFPVRIMRALACHSVLVTNAAGGI--GYGPGTLMLIKDHINV---IGTNPLIGENLEEFGPRFPDMSDAYTATYRQKAH----QIAEKQNIKLEEGVYLGVSGPTYETPAEIRAFQTMGAQAVGMSTVPEVIVAAHSGLKVLGISAITN---FAAGFQSELNHEEVVEVTQRIKEDFKGLVKSLVAEL
2AI1 Chain:A ((8-282))
----EDYQDTAKWLLSHTEQRPQVAVICGSGLGGLVNKLTQAQTFDYSEIPNFPES------GRLVFGILNGRACVMMQGRFHMYEGYPFWKVTFPVRVFRLLGVETLVVTNAAGGLNPNFEVGDIMLIRDHINLPGFSGENPLRGPNEERFGVRFPAMSDAYDRDMRQKAHSTWKQMGEQR--ELQEGTYVMLGGPNFETVAECRLLRNLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKVIMDYESQGKANHEEVLEAGKQAAQKLEQFVSLLMASI
General information:
TITO was launched using:
RESULT:
Template:
2AI1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -153692 for 2064 contacts (-74.5/contact) +
2D Compatibility (PS) -27089 + (NN) -6167 + (LL) 1188
1D Compatibility (HY) -26400 + (ID) 6200
Total energy: -218360.0 ( -105.79 by residue)
QMean score : 0.578
(partial model without unconserved sides chains):
PDB file :
Tito_2AI1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AI1-query.scw
PDB file :
Tito_Scwrl_2AI1.pdb
: