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



Input alignment information:
Query sequenceMKAEGLSGGYGDSRLINNVSLTVEKGEFLGILGPNGSGKTTLLHLLTGTLPAKKGRVYLAGKLLADYKPKELAQIMAVLPQKMDQAFTFTVEETVAFGRYPFQTGLFRQQTEKGEAIVQEAMEQTGVADFAQKPIRELSGGEQQRVYLAQALAQQPRILFLDEPTNFLDLAYQKDLLDLIKRLTRESGLAAVSVFHDLNTASLYCDGLMFMKNGTAGPKQKPEYAVTEQSIKAVYDTDVTALVHQSSPKPMIVIQPEKDSVKRQSIPFEALLQAGRDDILLQTEIPLRTLSSTPIGAGFSWSRTLIHKRLPDQPDPIEGLTACLSESGFQLQETCAMASSERLDRFVYRTYEDGELSVFICVQTGFSIWILINGYAADQFFIKALMAAEAERTKVLGDGGGTGDILIAATQTQQSENIEQRLNQLIKKGTAECIKEAAELFE
2IT1 Chain:A ((4-224))IKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPK--DRNVGLVFQNWALYPHMTVYKNIAFPLELRK-----APREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYK----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 2IT1.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 : 1130 -128897 -114.07 -583.24
target 2D structure prediction score : 0.58
Monomeric hydrophicity matching model chain A : 0.64

3D Compatibility (PKB) : -114.07
2D Compatibility (Sec. Struct. Predict.) : 0.58
1D Compatibility (Hydrophobicity) : 0.64
QMean score : 0.463

(partial model without unconserved sides chains):
PDB file : Tito_2IT1.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2IT1-query.scw
PDB file : Tito_Scwrl_2IT1.pdb: