Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLLEKINETRDFLQAKGVTAPEFGLILGSGLGELAEEIENPIVVDYADIPNWGQSTVVGHAGKLVYGDLSGRKVLALQGRFHFYEGNTMEIVTFPVRIMRALACHSVLVTNAAGGIGYG--PGTLMLIKDHINVIG---TNPLIGENLEEFGPRFPDMSDAYTATYRQKAHQIAEKQNIK--LEEGVYLGVSGPTYETPAEIRAFQTMGAQAVGMSTVPEVIVAAHSGLKVLGISAITNFAA-GFQSEL--NHEEVVEVTQRIKEDFKGLVKSLVAEL
3IEX Chain:A ((9-284))
---IENVKKVAHHIQKLTSIVPEIGIICGSGLG----GVKDKITIPYTKIPNFPQTS----SGNLIFGTLSGRKVVVMQGRFHMYEGYSNDTVALPIRVMKLLGVKILMVSNAAGGLNRSLKLGDFVILKDHIYLPGLGLNNILVGPNQEAFGTRFPALSNAYDRDLRKLAVQVAEENGFGNLVHQGVYVMNGGPCYETPAECTMLLNMGCDVVGMSTIPEVVIARHCGIQVFAVSLVTNISVLDVESDLKPNHEEVLATGAQRAELMQSWFEKIIEKL
General information:
TITO was launched using:
RESULT:
Template:
3IEX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -160202 for 2245 contacts (-71.4/contact) +
2D Compatibility (PS) -27730 + (NN) -10439 + (LL) 1220
1D Compatibility (HY) -27600 + (ID) 5300
Total energy: -230051.0 ( -102.47 by residue)
QMean score : 0.564
(partial model without unconserved sides chains):
PDB file :
Tito_3IEX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IEX-query.scw
PDB file :
Tito_Scwrl_3IEX.pdb
: