Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLLEKINETRDFLQAKGVTAPEFGLILGSGLGELAEEIENPIVVDYADIPNWGQSTVVGHAGKLVYGDLSGRKVLALQGRFHFYEGNTMEIVTFPVRIMRALACHSVLVTNAAGGI--GYGPGTLMLIKDHINV---IGTNPLIGENLEEFGPRFPDMSDAYTATYRQKAH----QIAEKQNIKLEEGVYLGVSGPTYETPAEIRAFQTMGAQAVGMSTVPEVIVAAHSGLKVLGISAITN---FAAGFQSELNHEEVVEVTQRIKEDFKGLVKSLVAEL
2AI3 Chain:A ((8-282))
----EDYQDTAKWLLSHTEQRPQVAVICGSGLGGLVNKLTQAQTFDYSEIPNFPES------GRLVFGILNGRACVMMQGRFHMYEGYPFWKVTFPVRVFRLLGVETLVVTNAAGGLNPNFEVGDIMLIRDHINLPGFSGENPLRGPNEERFGVRFPAMSDAYDRDMRQKAHSTWKQMGEQR--ELQEGTYVMLGGPNFETVAECRLLRNLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKVIMDY----KANHEEVLEAGKQAAQKLEQFVSLLMASI
General information:
TITO was launched using:
RESULT:
Template:
2AI3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -147128 for 2034 contacts (-72.3/contact) +
2D Compatibility (PS) -26654 + (NN) -6258 + (LL) 1240
1D Compatibility (HY) -26800 + (ID) 6150
Total energy: -211750.0 ( -104.11 by residue)
QMean score : 0.587
(partial model without unconserved sides chains):
PDB file :
Tito_2AI3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AI3-query.scw
PDB file :
Tito_Scwrl_2AI3.pdb
: