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



Input alignment information:
Query sequenceMQHQINGIALPNEQGFFGEYGGQFIPPHLKEAMDEINVAYEEIRHTPEFQNELADLFANYVGRPSPLFHAKRLSEQLGGAQIYLKREDLNHTGAHKINHCLGEALLAKYMGKKKVIAETGAGQHGVALATACALVGIPCEIHMGQVDIEKEHPNVVKMKILGAHLVSVTRGTATLKDAVDSAFEEYLKDPKNFIYAIGSVVGPHPFPKMVRDFQSIIGKEIKEQTHQRFGKNPDYVVACVGGGSNAIGAFTAFLNDSDVKLVGVEPAGHGLDTNMHSATLTLGKPSQIHGMACYVLENEAGEPLPVHSIASGLDYPGVGPQHSFLKDLGRVEYSTATDQECLDAFMTLSRVEGIVPALESSHAVAWAIREAPKLPKETMIVVNLSGRGDKDSDYVAEKLKL
5DW3 Chain:B ((2-381))---------------WFGEFGGQYVPETLIEPLKELEKAYKRFKDDEEFNRQLNYYLKTWAGRPTPLYYAKRLTEKIGGAKIYLKREDLVHGGAHKTNNAIGQALLAKFMGKTRLIAETGAGQHGVATAMAGALLGMKVDIYMGAEDVERQKMNVFRMKLLGANVIPVNSGSRTLKDAINEALRDWVATFEYTHYLIGSVVGPHPYPTIVRDFQSVIGREAKAQILEAEGQLPDVIVACVGGGSNAMGIFYPFVNDKKVKLVGVEAGGKGLESGKHSASLNAGQVGVFHGMLSYFLQDE-GQIKPTHSIAPGLDYPGVGPEHAYLKKIQRAEYVTVTDEEALKAFHELSRTEGIIPALESAHAVAYAMKLAKEMSRDEIIIVNLSGRGDKDLDIV------


General information:
TITO was launched using:
RESULT:

Template: 5DW3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2618 -179593 -68.60 -473.86
target 2D structure prediction score : 0.65
Monomeric hydrophicity matching model chain B : 0.87

3D Compatibility (PKB) : -68.60
2D Compatibility (Sec. Struct. Predict.) : 0.65
1D Compatibility (Hydrophobicity) : 0.87
QMean score : 0.598

(partial model without unconserved sides chains):
PDB file : Tito_5DW3.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-5DW3-query.scw
PDB file : Tito_Scwrl_5DW3.pdb: