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



Input alignment information:
Query sequenceMQPSSDNGASTGANVVVEGKYTIQDANIVGRGAYSVVKVCTPIHPYVPPGSRPGMKYVVKIIEKEYLISLAKGDVDMAMAEIKREIDVLRHIPSHENVVTFLEYVETEKQFLLFFEKVQCGDLCELILQSSSGKLTEEKSKLYTYQIIKAVLHCHLHDIIHRDIKPENLLVSEDD----NIKLTDFGLAKRSRGVCTGDSPRDPLDVTALMMPYPGCERLLGKRVVCSDVIGTPRYGAPEMFYAKFTQTHYD--GFNADTWSIGVVTYITLSGSFPYSPGSNASEKEVFRTIMSTPLPKP--SGISPLAWEFVQSMLNKDPSKRTPLYAALNHPWLADV-----VVQRGSVVAAQLRASVISADVESAAARFDEEARRLRICMAKLQSEVAALREERDRVREVQQPALQETHTQARRAQTPSGLSRPRSTRYPASTIRVSSPARVTNHRRTGSRDSSSAGSVPRRASAPRGRSPLARSAGGAAVRRGTPARAGGTTPARSATPSRTTGARSGSAARAMISTRGATPTRSATPGRSAHDRSRTPHRSAISGTSNGTTSGVSHSTNAVNPANELHLGDQVTYKGCRAIVRFNGSTAFGAGIWIGLEMLEGNEGTNDGSSFIDKKQYFTCPKGKGVFVRASQVKKLG
2YAB Chain:A ((4-295))----------TFKQQKVEDFYDIGEE--LGSGQFAIVKKCRE--------KSTGLEYAAKFIKKRQSRASRRG---VCREEIEREVSILRQVL-HPNIITLHDVYENRTDVVLILELVSGGELFDFLAQKES--LSEEEATSFIKQILDGVNYLHTKKIAHFDLKPENIMLLDKNIPIPHIKLIDFGLAHEIED---------------------GVE--------FKNIFGTPEFVAPEI-------VNYEPLGLEADMWSIGVITYILLSGASPF-LGDTKQETLANITAVSYDFDEEFFSQTSELAKDFIRKLLVKETRKRLTIQEALRHPWITPVDTQQAMVRRESVVNLE-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 2YAB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1382 -55226 -39.96 -197.94
target 2D structure prediction score : 0.52
Monomeric hydrophicity matching model chain A : 0.66

3D Compatibility (PKB) : -39.96
2D Compatibility (Sec. Struct. Predict.) : 0.52
1D Compatibility (Hydrophobicity) : 0.66
QMean score : 0.383

(partial model without unconserved sides chains):
PDB file : Tito_2YAB.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2YAB-query.scw
PDB file : Tito_Scwrl_2YAB.pdb: