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


Input alignment information:
Query sequenceMRKPMIDSKAVVQAHNLFMTFKAENKKSADISAIVDLNMQIKKGELTALVGPDGAGKTTLLRLIAGLYKASSGSLHVLGLDIEKHPQVVQDRISYMPQRFGLYEDLSVQENLNLYADLHGVPKNVRNQRFKRLLEITDLTQFTQRLAGQLSGGMKQKLGLACTLVRSPELLLLDEPSVGVDPLSRRDLWIIIEQLVQEENLSVIISTAYMDEAEKCA-YVYIMHEGKILRQGSPEQLKALVHEQTWQIKPSEQIKPRIVQAQLLGNSGEIIDAVPRGEQVNFISRQKELSTNILPLGLVANRRPPELEDAFMMLLQQNQKQQISISQQTFRSEQNNNSQSDQAVIVVKDLVRTFGDFTAVANTSFTVQRGEIFGLLGPNGAGKTTTFRMLCGLLPASSGYLEVAGKNLRTARAEARAKVGYVSQKFALYSNLTVLENLKFFGGAYGLSGKKLDQQIDKALQQYDLKPQIKSGDLPVGYKQRLSMAAALLHEPEILFLDEPTSGIDPLARHSFWYSIGKLANQGITIIITTHFMEEAEYCDRIAIQDAGKLLALGSPQQVRELASKDKHIVDMNEAFIAIVEQARALRHAG
3PUW Chain:B ((21-231))-----------------------------------DINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPA-ERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLEL-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3PUW.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 : 927 -116635 -125.82 -583.18
target 2D structure prediction score : 0.56
Monomeric hydrophicity matching model chain B : 0.61

3D Compatibility (PKB) : -125.82
2D Compatibility (Sec. Struct. Predict.) : 0.56
1D Compatibility (Hydrophobicity) : 0.61
QMean score : 0.510

(partial model without unconserved sides chains):
PDB file : Tito_3PUW.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3PUW-query.scw
PDB file : Tito_Scwrl_3PUW.pdb: