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



Input alignment information:
Query sequenceMKSWKNWLIKINYCVYKKKRKGRMRKFLIILLLPSFLTISKVVSTEKEVVYTSKEIYYLSQSDFGIYFREKLSSPMVYGEVPVYANEDLVVESGKLTPKTSFQITEWRLNKQGIPVFKLSNHQFIAADKRFLYDQSEVTPTIKKVWLESDFKLYNSPYDLKEVKSSLSAYSQVSIDKTMFVEGREFLHIDQAGWVAKESTSEEDNRMSKVQEMLSEKYQKD--SFSIYVKQLTTGKEAGINQDEKMYAASVLKLSYLYYTQEKINEGLYQLDTTVKYVSAVNDFPGSYKPEGSGSLPKKEDNKEYSLKDLITKVSKESDNVAHNLLGYYISNQSDATFKSKMSAIMGDDW---------------DPKEKLISSKMAGKFMEAIYNQ-----------NGFVLESLTKTDFDSQRIAKGVS--VKVAHKIGDADEFKHDTGVVYAD--SPFILSIFTK--------NSDYDTISKIAKDVYEVLK------
2WUQ Chain:A ((3-316))-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NSESLLRELRDALHEGGLTGSFLVRDLYTGEELGIDPDTELPTASLVKLPLALATLERIRLGEVDGAQQIEVA------PGRITTPGPTGLSRFRHPARVAVDDLLYLSTSVSDGTASDAL---FEITPPAQVEQMVREWGFRDLTVRHSMREHRVPQLDVARANTGTARAFVDLLEALWAPVLTGPALPPEPAARLRELMAANLLRHRLAPDFASDAATWSSKTGTLLNLRHEVGVVEHADGQVFAVAVLTESQVPADSQPGAEALMAQVARRLRDRLREWHHHH


General information:
TITO was launched using:
RESULT:

Template: 2WUQ.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 : 1151 58576 50.89 253.57
target 2D structure prediction score : 0.68
Monomeric hydrophicity matching model chain A : 0.62

3D Compatibility (PKB) : 50.89
2D Compatibility (Sec. Struct. Predict.) : 0.68
1D Compatibility (Hydrophobicity) : 0.62
QMean score : 0.487

(partial model without unconserved sides chains):
PDB file : Tito_2WUQ.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2WUQ-query.scw
PDB file : Tito_Scwrl_2WUQ.pdb: