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



Input alignment information:
Query sequenceMNFQRMTDLNLAGKRVLIREDLNVPVKNGVITSDARLRAALPTIKAALEKGAAVMVFSHLGRPVEGEPKPEQSLAPVAAYLTEALGQEVKLFTDYLDGVEVEAGQVVLLENVRFNPGEKKNNPELAQKYAALCDVFVMDAFGTAHRAEASTEGVARFAPVAAAGPLLAAELDALGRAMQTPEKPMVAIVAGSKVSTKLDVLNSLSGICDQLIVGGGIANTFLAAAGYNVGKSLYEADLVETAKQIAAK-----VSVPLPTDVVVADASQINFEDFLGSLAAAQAVIKKVEDVTANDMILDVGPETAKAFANILTTSKTILWNGPVGVFEVDQFGEGTKALSLAVAQSDAFSIAGGGDTLAAIDKYNVADQIGYISTGGGAFLEFVEGKTLPAVAVLLERA
4NG4 Chain:C ((14-401))--FLSMSNLNLHNKRVMIREDLNVPMKNGKITNDERIVRALPTIQKAIEQKARVMILSHLGRPEEGKFEKEFSLAPVARLLSKKLN--VPLINDWLKGVAVEPGQAILCENVRFNKGENENNTELAKRMAELCDIFVMDAFATAHRAQASTAGVAAYAKLACAGPLLISEVEALSRALENPQKPLVAVVGGSKVSTKIHLLENLLDKVDQLIVGGGIANTFLKAQGYSIGKSLCENEWLDAAQQFWEKAAEKNVSLPLPVDVIVADELS---ED-------AKATVKNIDAVTSNESIFDVGPNTSATYAKLMAQAGTIVWNGPIGVFEIEAFSQGTRALAQAVAKSTAYSIVGGGDTLAALDKFNLTDQMSYVSTAGGAFLEFLEG--LPAIKILTQRA


General information:
TITO was launched using:
RESULT:

Template: 4NG4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2227 -174635 -78.42 -460.78
target 2D structure prediction score : 0.65
Monomeric hydrophicity matching model chain C : 0.89

3D Compatibility (PKB) : -78.42
2D Compatibility (Sec. Struct. Predict.) : 0.65
1D Compatibility (Hydrophobicity) : 0.89
QMean score : 0.679

(partial model without unconserved sides chains):
PDB file : Tito_4NG4.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4NG4-query.scw
PDB file : Tito_Scwrl_4NG4.pdb: