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



Input alignment information:
Query sequenceMEPIGRSLQGVTGRPDFQKRLEQMKEKVMKDQDVQAFLKENEEVIDQKMIEKSLNKLYEYIEQSKNCSYCSEDENCNNLLEGYHPKLVVNGRSIDIEYYECPVKRKLDQQKKQQSLMKSMYIQQDLLGATFQQVDISDPSRLAMFQHVTDFLKSYNETGKGKGLYLYGKFGVGKTFMLAAIANELAEKEYSSMIVY-VPEFVRELKNSLQDQTLEEKLNMVKTTPVLMLDDIGAESMTSWVRDEVIGTVLQHRMSQQLPTFFSSNFSPDELKHHFTYSQRGEKEEVK-----AARLMERILYLAAPIRLDGENRRHP
3ECC Chain:A ((29-167))------------------------------------------------------------------------------------------------------------------------------------------------------FVHNFNPE-EGKGLTFVGSPGVGKTHLAVATLKAIYEKKGIRGYFFDTKDLIFRLKHLMDEGKDTKFLKTVLNSPVLVLDDLGSERLSDWQR-ELISYIITYRYNNLKSTIITTNYSL----------QR---SSVRISADLASRLGENVV----------------


General information:
TITO was launched using:
RESULT:

Template: 3ECC.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 : 487 -24237 -49.77 -186.43
target 2D structure prediction score : 0.56
Monomeric hydrophicity matching model chain A : 0.67

3D Compatibility (PKB) : -49.77
2D Compatibility (Sec. Struct. Predict.) : 0.56
1D Compatibility (Hydrophobicity) : 0.67
QMean score : 0.482

(partial model without unconserved sides chains):
PDB file : Tito_3ECC.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3ECC-query.scw
PDB file : Tito_Scwrl_3ECC.pdb: