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



Input alignment information:
Query sequenceMGEAIVITSGKGGVGKTTTSANLGTALAILGKRVCLVDTDIGLRNLDVVMGLENRIIYDLVDVVEGRCKMHQALVKDKRFDDLLYLMPAAQTSDKTAVAPEQIKNMVQELK-QEFDYVIIDCPAGIEQGYKNAVSGADKAIVVTTPEISAVRDADRIIGLL----EQEENIEPP---RLVVNRIRNHLMKNGDTMDIDEIVQHLSIDLLGIVADDDEVIKASNHGEPIAMDPKNRASIAYRNIARRILGESVPLQVLEEQNKGMMAKIKSFFGVRS
3R9I Chain:B ((2-258))-ARIIVVTSGKGGVGKTTSSAAIATGLAQKGKKTVVIDFAIGLRNLDLIMGCERRVVYDFVNVIQGDATLNQALIKDKRTEN-LYILPASQTR---ALTREGVAKVLDDLKAMDFEFIVCDSPAGIETGALMALYFADEAIITTNPEVSSVRDSDRILGILASKSRRAENGEEPIKEHLLLTRYNPGRVSRGDMLSMEDVLEILRIKLVGVIPEDQSVLRASNQGEPVILDINADAGKAYADTVERLLGEERPFRFIEE-----------------


General information:
TITO was launched using:
RESULT:

Template: 3R9I.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 : 1431 -51608 -36.06 -209.79
target 2D structure prediction score : 0.65
Monomeric hydrophicity matching model chain B : 0.85

3D Compatibility (PKB) : -36.06
2D Compatibility (Sec. Struct. Predict.) : 0.65
1D Compatibility (Hydrophobicity) : 0.85
QMean score : 0.539

(partial model without unconserved sides chains):
PDB file : Tito_3R9I.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3R9I-query.scw
PDB file : Tito_Scwrl_3R9I.pdb: