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



Input alignment information:
Query sequenceMLKKWLAGILLIMLVGYTGWNLYQTYSKKEVGIQEGQQAPDFSLKTLSGEKSSLQDAKGKKVLLNFWATWCKPCRQEMPAMEKLQKEYADK-LAVVAVNFTSAEKSEKQVRAFADTYDLTFPILIDK-KGINADYNVMSYPTTYILDEKGVIQDIHVGTMTKKEMEQKLDLD
4NMU Chain:A ((10-139))---------------------------------QIGKEAPNFVVTDLEGKKIELKDLKGKGVFLNFWGTWCKPCEKEMPYMNELYPKYKEKGVEIIALD---ADETDIAVKNFVNQYGLKFPVAIDKGQKIIGTYGVGPLPTSFLIDKDGKVVEQIIGEQTKEQLE------


General information:
TITO was launched using:
RESULT:

Template: 4NMU.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 : 570 -15292 -26.83 -119.46
target 2D structure prediction score : 0.65
Monomeric hydrophicity matching model chain A : 0.72

3D Compatibility (PKB) : -26.83
2D Compatibility (Sec. Struct. Predict.) : 0.65
1D Compatibility (Hydrophobicity) : 0.72
QMean score : 0.643

(partial model without unconserved sides chains):
PDB file : Tito_4NMU.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4NMU-query.scw
PDB file : Tito_Scwrl_4NMU.pdb: