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



Input alignment information:
Query sequenceMPAYKYNRVFLIVMDSVGIGEAPDAADFNDEGAHTLGHIAEHMNGLHMPNMAKLGLGLIEDIKGVEKTEHPLAYYGKMQEASNGKDTMTGHWEIMGLYIDKPFKVFPEGFPDELLQELEKRSGRKIIGNKPASGTAILDELGQEHMETGALIVYTSADSVLQIAAHEEVVPLEELYRICETARELTLDPKYMVGRIIARPFVGEPGQFKRTPNRHDYALKPFDRTVMNELKDCGLDVISIGKISDIYDGEGITSSRRTVSNMDGMDKVIDTLGEDFTGLSFANLVDFDALFGHRRDPEGYGRALEEFDARLPEVFEKMREDDLLIITADHGNDPIHHGTDHTREYVPILAYSKKHKK-AQMLPLADTFADIGATIADNFQTNKPKYGKSFLSLLQ
3M8W Chain:B ((7-397))---NKYKRIFLVVMDSVGIGEAPDAEQFGDLGSDTIGHIAEHMNGLQMPNMVKLGLGNIREMKGISKVEKPLGYYTKMQEKSTGKDTMTGHWEIMGLYIDTPFQVFPEGFPKELLDELEEKTGRKIIGNKPASGTEILDELGQEQMETGSLIVYTSADSVLQIAAHEEVVPLDELYKICKIARELTLDEKYMVGRVIARPFVGEPGNFTRTPNRHDYALKPFGRTVMNELKDSDYDVIAIGKISDIYDGEGVTESLRTKSNMDGMDKLVDTLNMDFTGLSFLNLVDFDALFGHRRDPQGYGEALQEYDARLPEVFAKLKEDDLLLITADHGNDPIHPGTDHTREYVPLLAYSPSMKEGGQELPLRQTFADIGATVAENFGVKMPEYGTSFLNEL-


General information:
TITO was launched using:
RESULT:

Template: 3M8W.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 : 2517 -174799 -69.45 -448.20
target 2D structure prediction score : 0.63
Monomeric hydrophicity matching model chain B : 0.94

3D Compatibility (PKB) : -69.45
2D Compatibility (Sec. Struct. Predict.) : 0.63
1D Compatibility (Hydrophobicity) : 0.94
QMean score : 0.655

(partial model without unconserved sides chains):
PDB file : Tito_3M8W.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3M8W-query.scw
PDB file : Tito_Scwrl_3M8W.pdb: