Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLLEKINETRDFLQAKGVTAPEFGLILGSGLGELAEEIENPIVVDYADIPNWGQSTVVGHAGKLVYGDLSGRKVLALQGRFHFYEGNTMEIVTFPVRIMRALACHSVLVTNAAGGI--GYGPGTLMLIKDHINV---IGTNPLIGENLEEFGPRFPDMSDAYTATYRQKAH----QIAEKQNIKLEEGVYLGVSGPTYETPAEIRAFQTMGAQAVGMSTVPEVIVAAHSGLKVLGISAITN---FAAGFQSELNHEEVVEVTQRIKEDFKGLVKSLVAEL
2AI2 Chain:A ((8-282))
----EDYQDTAKWLLSHTEQRPQVAVICGSGLGGLVNKLTQAQTFDYSEIPNFPES------GRLVFGILNGRACVMMQGRFHMYEGYPFWKVTFPVRVFRLLGVETLVVTNAAGGLNPNFEVGDIMLIRDHINLPGFSGENPLRGPNEERFGVRFPAMSDAYDRDMRQKAHSTWKQMGEQR--ELQEGTYVMLGGPNFETVAECRLLRNLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKVIMDYESQGKANHEEVLEAGKQAAQKLEQFVSLLMASI
General information:
TITO was launched using:
RESULT:
Template:
2AI2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -149418 for 2097 contacts (-71.3/contact) +
2D Compatibility (PS) -27029 + (NN) -4605 + (LL) 1188
1D Compatibility (HY) -26400 + (ID) 6200
Total energy: -212464.0 ( -101.32 by residue)
QMean score : 0.575
(partial model without unconserved sides chains):
PDB file :
Tito_2AI2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AI2-query.scw
PDB file :
Tito_Scwrl_2AI2.pdb
: