Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequence----MDATP--------------------NAVELTVDNAWFIAETIGAGTFPWVLAITMPYSDAAQRGAFV---DRQRDELTRMG---------LLSPQGVINPAV-------------------------ADWIKVVCFP------DRWLDL----------RYVGPASADGACELLRGIVALRTGTGKTSNKTGNGVVALRNAQLVTFTA-MDIDDPRALVPILGVGLAHRPPARFD---------EFSLPTRVGARADERLRSGVPLGEVVDYLGIPASARPVVESVFSGPRSYVEIVAG--CNRDGRHTTTEVGLSIVDTSAGRVLVSPSRAFDGE---WVSTFSP--GTPFAIAVAIQTLTACLPDGQWFPGQRVSRDFSTQSS-----------------------------------------------------
3CM8 Chain:A ((12-471))IEPFLKTTPRPLRLPDGPPCSQRSKFLLMDALKLSIEIPLYDAIKCMKTFFGWKEPNIVKPHEKGINPNYLLAWKQVLAELQDIENEEKIPKTKNMRKTSQLKWALGENMAPEKVDFEDCKDVSEPKPRSLASWIQSEFNKACELTDSSWIELDEIIASMRRNYFTAEVSHCRATEYIMKGVYINTALLNASCA------AMDDFQLIPMISKCRTKEGRRKTNLYGFIIKGRSHLRNDTDVVNFVSMEFSLTDPRLEPHKWEKYCVLEIGDMLLRTAIGQVSRPMFLYVRTNGTSKIKMKWGMEMRRCLLQSLQQIESMIEAESSVKEKDMTKEFFENKSETWPIGESPKGMEEGSIGKVCRTLLAKSVFNSLYA-SPQLEGFSAESRKLLLIVQALRDNLEPGTFDLGGLYEAIEECLINDPWVLLNASWFNSFLTHALK


General information:
TITO was launched using:
RESULT:

Template: 3CM8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -56797 for 1974 contacts (-28.8/contact) +
2D Compatibility (PS) -28833 + (NN) 6375 + (LL) -160
1D Compatibility (HY) -9600 + (ID) 2700
Total energy: -91715.0 ( -46.46 by residue)
QMean score : 0.088

(partial model without unconserved sides chains):
PDB file : Tito_3CM8.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3CM8-query.scw
PDB file : Tito_Scwrl_3CM8.pdb: