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



Input alignment information:
Query sequenceMQLQVMNSPFNQEQAELLNRLLPTLTESQKIWLSGYLSAQSVSAQEAAGTPAAAVSAEAPAPAVSKEVTVLYGSQTGNAQGLAENAGKQLEQSGFQVTVSSMSDFKPNQLKKVTNLLIVVSTHGEGEPPDNALSFHEFLHGRRAPKLEDLRFSVLALGDSSYEFFCQTGKEFDQRLEELGGKRISPRVDCDLDYDEPAAEWLEGVLKGLNEAGGGSAAPAPAAASQTGESSYSRTNPFRAEVLENLNLNGRGSNKETRHVELSLEGSGLTYEPGDSLGVYPENDPELVELLLKEMNWDPEEIVTLNKQGDVRPLKEALISHYEITVLTKPLLEQAAQLTGNDELRELLAPGNEENVKAYIEGRDLLDLVRDYGPFSVSAQEFVSILRKMPARLYSIASSLSANPDEVHLTIGAVRYDAHGRERKGVCSILCAERLQPGDTLPVYVQHNQNFKLPKDPETPIIMVGPGTGVAPFRSFMQEREETGAEGKAWMFFGDQHFVTDFLYQTEWQNWLKDGVLTKMDVAFSRDTEEKVYVQHRMLEHSAELFEWLQEGAAVYICGDEKHMAHDVHNTLLEIIEKEGNMSREEAEAYLADMQQQKRYQRDVY
1DDG Chain:B ((4-374))-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SPYSKDAPLVASLSVNQKITGRNSEKDVRHIEIDLGDSGLRYQPGDALGVWYQNDPALVKELVELLWLKGDEPVTV--EGKTLPLNEALQWHFELTVNTANIVENYATLTRSETLLPLV--GDKAKLQHYAATTPIVDMVR-FSPAQLDAEALINLLRPLTPRLYSIASSQAEVENEVHVTVGVVRYDVEGRARAGGASSFLADRVEEEGEVRVFIEHNDNFRLPANPETPVIMIGPGTGIAPFRAFMQQRAADEAPGKNWLFFGNPHFTEDFLYQVEWQRYVKEGVLTRIDLAWSRDQKEKVYVQDKLREQGAELWRWINDGAHIYVCGDANRMAKDVEQALLEVIAEFGGMDTEAADEFLSELRVERRYQRDVY


General information:
TITO was launched using:
RESULT:

Template: 1DDG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2000 -199343 -99.67 -537.31
target 2D structure prediction score : 0.68
Monomeric hydrophicity matching model chain B : 0.74

3D Compatibility (PKB) : -99.67
2D Compatibility (Sec. Struct. Predict.) : 0.68
1D Compatibility (Hydrophobicity) : 0.74
QMean score : 0.576

(partial model without unconserved sides chains):
PDB file : Tito_1DDG.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1DDG-query.scw
PDB file : Tito_Scwrl_1DDG.pdb: