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



Input alignment information:
Query sequenceMTSMILAVFIFLLTLVLVIWQPKNLSIGWSACGGAVLALIAGVVNFHDVLTVTGIVWNATLAFVAIILISLILDNIGFFEWAALHMAKAAKGYGVRMFVYVSLLGAIVAALFANDGAALILTPIVLAMVRALHFNEKLVFPFIIASGFIADTTSLPFVVSNLVNIVSADYFHITFIDYASRMVVPYLFSLLASIIVLYLFFRKSIPKRYDLTEVKKPVEAIKDQNMFRLSWYILGLLLIGYFASEFFSIPVSVVAGSIAIIFL---IAAQKSPAVHTKKVVKEAPWA--IVFFSIGMYVVVYGVRNAGLTDVLSDVIQAAADQGLFAGTIGMGFIAAILSSIMNNLPTVMIDALAIAGTDTHGMMREALIYANVIGSDLGPKITPIGSLATLLWLHVLSHKGMKISWGTYFKTGIILTIPTLLITLVGLYIWLLIIHSCF
4LEC Chain:A ((69-151))------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GTGLVGIVAA-LLGAHVTITDRKVALEFLKSNVQANLPPHIQTKTVVKELTWGQNLGSFSPGEFDLILGADIIYLEETFTDLLQ--------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4LEC.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 : 224 -31189 -139.23 -399.85
target 2D structure prediction score : 0.35
Monomeric hydrophicity matching model chain A : 0.43

3D Compatibility (PKB) : -139.23
2D Compatibility (Sec. Struct. Predict.) : 0.35
1D Compatibility (Hydrophobicity) : 0.43
QMean score : 0.150

(partial model without unconserved sides chains):
PDB file : Tito_4LEC.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4LEC-query.scw
PDB file : Tito_Scwrl_4LEC.pdb: