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



Input alignment information:
Query sequenceMVNKQLKKKAQEIGNVPTHYELEIEDYDQKQKKYGQAYFIWKDPKDPEKHITVELRNDGALLTFSTTVHSETDKKLPDAELKLTALQFAAANHPGTFMNFHFQGKEERGQHIRFVYTKMELGLPIPNSGFLIDMTRSGQIVHFLYYGEGHKAEVPTEFVAKEKVVSHYLNTMSFELMYDVIDGEQEPRLVYEPILPGYSYPADVDEIVPDQHIADERIENTAPLPPLQNKEEVDIFALLGFTSDMQKVSERDFGEQIGSTWRRGAAPERKDLSIGSYFETRNKNTIKMKTDKRTGKLKAA-LSFMDWRN-NLQCSTE-ECQEIALQFLYALYPRAAEFFRVN----PVRIDERGRVRNHFSVWYKGVPLRFGAARIIVNPETGLIDAFMAPDIEPEQLEAINHRPDVSAEEAKEAFLAAFDVKLEWQPDFTAGSDQHCKLVYKPVYPSYIDAHIRKKKRL
2WB6 Chain:A ((11-124))----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LESTSLYKKAGSENLYFQ--GIVDKNKIVIPMSEFLDSMFLVIEKLGVHAEKKGSMIFLSSERVKLADWKQLGAMCSDCYHCKLPLSSFIEIVTRKAKDKFLVMYNEKEVTLVARG----------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 2WB6.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 : 452 -44032 -97.42 -411.51
target 2D structure prediction score : 0.42
Monomeric hydrophicity matching model chain A : 0.56

3D Compatibility (PKB) : -97.42
2D Compatibility (Sec. Struct. Predict.) : 0.42
1D Compatibility (Hydrophobicity) : 0.56
QMean score : 0.277

(partial model without unconserved sides chains):
PDB file : Tito_2WB6.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2WB6-query.scw
PDB file : Tito_Scwrl_2WB6.pdb: