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



Input alignment information:
Query sequenceMVPKKQVKEGTKMSRPNLQIALDHNDLEHALGDVMKVGDVVDIIEVGTILCLQEGQKAIRCIRSMFPDKKLVADTKCADAGGTVASNVAKAGADWMTVICCATIPTMEAAQKEI-------GELQVELYGNWTFEQAMDWHNIGIRQVIYHQSRDALLSGETWGEKDLSKIKKLIELGFNVSVTGGLNPHTLHLFEGIDVYTFITGRGITAANDPMKAAQNFKDEIIRIWG
3EXS Chain:D ((6-221))---------------PNLQVALDHSNLKGAITAAVSVGNEVDVIEAGTVCLLQVGSELVEVLRSLFPDKIIVADTKCADAGGTVAKNNAVRGADWMTCICSATIPTMKAARKAIEDINPDKGEIQVELYGDWTYDQAQQWLDAGISQAIYHQSRDALLAGETWGEKDLNKVKKLIEMGFRVSVTGGLSVDTLKLFEGVDVFTFIAGRGITEAKNPAGAARAFKDEIKRIWG


General information:
TITO was launched using:
RESULT:

Template: 3EXS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1168 -67072 -57.42 -320.92
target 2D structure prediction score : 0.72
Monomeric hydrophicity matching model chain D : 0.88

3D Compatibility (PKB) : -57.42
2D Compatibility (Sec. Struct. Predict.) : 0.72
1D Compatibility (Hydrophobicity) : 0.88
QMean score : 0.568

(partial model without unconserved sides chains):
PDB file : Tito_3EXS.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3EXS-query.scw
PDB file : Tito_Scwrl_3EXS.pdb: