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


Input alignment information:
Query sequenceMTKNKLLLVDGNSVAFRAFFPLHNSLERFKNRNGLHTNAIYAFNTMFENVMQKEQPTHVLVAFDAGKTTFRTEMYAEYKGGRSKTPGEFKEQMPYIRDLLTGLGVQYYELPNYEADDIIGTLAEKVDKDQFDVVVLSGDRDLTQLASKEVKVDITVKGVSDIESYTPEHVAEKYDGLTPKQIIDMKGLAGDASDNIPGVTKIGEKTAIKLLKQYGSVEGIYEHIDEMKQSKMKENLINDKEQAFLSKKLATINTSAPVDVSIDSLKYEGKNLDKLVPFYKEMDFNQFLSKLNIVEEEVKMDDILFEVVHEFKEEMFTTDMALYVEMMGDNYHTEEIVGVAWGTEKKIYVTNDLSVFENRAFHSWITDPTRLKKVYDAKRTYVALNRYTGKTKGIDFDVLLGAYLLDTNEKSTDIEGIAAHYGYNDIQSDEAVYGKGAKKGLPEEEELFFAHLARKVAAINALTPKLSQELAEKNQEDLFRKMELPLSIILAEMEISGIKVDATRLQEMKGEFSARLREIEQKIYEEAGEEFNLNSPKQLGVILFEKMGLPVIKKTKTGYSTAVDVLEQLREQAPIVEDILTYRQIAKIQSTYVEGLLKVIQ-SDGKVHTRYVQTLTQTGRLSSVDPNLQNIPIRLDEGRKIRQAFVPREKDWLIYSSDYSQIELRVLAHISNDEHLKAAFLEGQDIHASTAMRVFGIEKAEDVTPNMRRQAKAVNFGIVYGISDYGLSQNLGISRKAAQQYIDTYFEKYPGVKEYMERIVREAKDQGYVETLYHRRRYLPDINSRNYNIRSFAERTAINTPIQGSAADILKIAMIELDKRLKETGLQATMLLQVHDELVFEVPEKELESLDKLVKEVMEQAVSLHVPLITDSSWGKTWYEAK
3PX6 Chain:A ((14-592))-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KMAFTLADRVTEEMLADKAALVVEVVEENYHDAPIVGIAVVNEHGRFFLRPETALADPQFVAWLGDETKKKSMFDSKRAAVALKWKGIELCGVSFDLLLAAYLLDPAQGVDDVAAAAKMKQYEAVRPDEAVYGKGAKRAVPDEP-VLAEHLVRKAAAIWELERPFLDELRRNEQDRLLVELEQPLSSILAEMEFAGVKVDTKRLEQMGKELAEQLGTVEQRIYELAGQEFNINSPKQLGVILFEKLQLPVLKKTKTGYSTSADVLEKLAPYHEIVENILHYRQLGKLQSTYIEGLLKVVRPATKKVHTIFNQALTQTGRLSSTEPNLQNIPIRLEEGRKIRQAFVPSESDWLIFAADYSQIELRVLAHIAEDDNLMEAFRRDLDIHTKTAMDIFQVSE-DEVTPNMRRQAKAVNYGIVYGISDYGLAQNLNISRKEAAEFIERYFESFPGVKRYMENIVQEAKQKGYVTTLLHRRRYLPDITSRNFNVRSFAERMAMNTPIQGSAADIIKKAMIDLNARLKEERLQAHLLLQVHDELILEAPKEEMERLCRLVPEVMEQAVTLRVPLKVDYHYGSTWYDAK


General information:
TITO was launched using:
RESULT:

Template: 3PX6.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 : 2918 -137593 -47.15 -238.05
target 2D structure prediction score : 0.60
Monomeric hydrophicity matching model chain A : 0.76

3D Compatibility (PKB) : -47.15
2D Compatibility (Sec. Struct. Predict.) : 0.60
1D Compatibility (Hydrophobicity) : 0.76
QMean score : 0.544

(partial model without unconserved sides chains):
PDB file : Tito_3PX6.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3PX6-query.scw
PDB file : Tito_Scwrl_3PX6.pdb: