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



Input alignment information:
Query sequenceMAKKKRKSRKKQAKQLNIKYELNGLLCIAISIIAILQLGVVGQTFIYLFRFFAGEWFILCLLGLLVLGVSLFWKKKTPSLLTRRKAGLYCIIASILLLSHVQLFKNLTHKGSIESASVVRNTWELFLMDMNGSSASPDLGGGMIGALLFAASHFLFASTGSQIMAIVMILIGMILVTGRSLQETLKKWMSPIGRFIKEQWLAFIDDMKSFKSNMQSSKKTKAPSKKQKPARKKQQMEPEPPDEEGDYETVSPLIHSEPIISSFSDRNEEEESPVIEKRAEPVSKPLQDIQPETGDQETVSAPPMTFTELENKDYEMPSLDLLADPKHTGQQADKKNIYENARKLERTFQSFGVKAKVTQVHLGPAVTKYEVYPDVGVKVSKIVNLSDDLALALAAKDIRIEAPIPGKSAIGIEVPNAEVAMVSLKEVLESKLNDRPDAKLLIGLGRNISGEAVLAELNKMPHLLVAGATGSGKSVCVNGIITSILMRAKPHEVKMMMIDPKMVELNVYNGIPHLLAPV-VTDPKKASQALKKVVNEMERRYELFSHTGTRNIEGYNDYIKRANNEEGAKQPELPYIVVIVDELADLMMVASSDVEDSITRLSQMARAAGIHLIIATQRPSVDVITGVIKANIPSRIAFSVSSQTDSRTILDMGGAEKLLGRGDMLFLPVGANKPVRVQGAFLSDDEVEKVVDHVITQQKAQYQEEMIPEETTETHSEVTDELYDEAVELIVGMQTASVSMLQRRFRIGYTRAARLIDAMEERGVVGPYEGSKPREVLLSKEKYDELSS
4LYA Chain:A ((79-231))--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IFGSAGYGKSTTMMTLLLSFAGAYNPAQLHYYIFDFGNSALLPLRQLPHTADYFRLDDEKKIEKFIKFMKEEMEQRKQRFMEKEVSTIKLYN-----ALSEE-----KLPIIIVALDNF-DVVKEEMPDFETQLIQYARDGQSLGIFFIMTATRVS------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4LYA.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 : 583 -101684 -174.42 -706.14
target 2D structure prediction score : 0.70
Monomeric hydrophicity matching model chain A : 0.55

3D Compatibility (PKB) : -174.42
2D Compatibility (Sec. Struct. Predict.) : 0.70
1D Compatibility (Hydrophobicity) : 0.55
QMean score : 0.623

(partial model without unconserved sides chains):
PDB file : Tito_4LYA.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4LYA-query.scw
PDB file : Tito_Scwrl_4LYA.pdb: