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



Input alignment information:
Query sequenceMSLLQFQQVGYWYKNKSQPLFQDINISFQKGKFYTIVGTSGTGKTTFLSLAGGLDAPKEGNILYDGKAVSKIGLTNFRNQ--YVSIVFQAYNLLPYMTALQNVTTAMEITGSKEKNKESYALDMLQKVGINEKQARQKVLTLSGGQQQRVSITRAFCCDTDLIVADEPTGNLDEDTSKEIVRLFQDLAHKEDKCVIMVTHDEQIAKV-SDINIRLSRGSFTVKENVAVV----------------------------------------------------------------------------------------------------------------------------
1OXS Chain:C ((1-352))MVRIIVKNVSKVFKKGKVVALDNVNINIENGERFGILGPSGAGKTTFMRIIAGLDVPSTGELYFDDRLVASNGKLIVPPEDRKIGMVFQTWALYPNLTAFENIAFPLTNMKMSKEEIRKRVEEVAKILDI-HHVLNHFPRELSGGQQQRVALARALVKDPSLLLLDEPFSNLDARMRDSARALVKEVQSRLGVTLLVVSHDPADIFAIADRVGVLVKGKLVQVGKPEDLYDNPVSIQVASLIGEINELEGKVTNEGVVIGSLRFPVSVSSDRAIIGIRPEDVKLSKDVIKDDSWILVGKGKVKVIGYQGGLFRITITPLDSEEEIFTYSDHPIHSGEEVLVYVRKDKIKVFEK


General information:
TITO was launched using:
RESULT:

Template: 1OXS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1171 -141646 -120.96 -629.54
target 2D structure prediction score : 0.55
Monomeric hydrophicity matching model chain C : 0.65

3D Compatibility (PKB) : -120.96
2D Compatibility (Sec. Struct. Predict.) : 0.55
1D Compatibility (Hydrophobicity) : 0.65
QMean score : 0.502

(partial model without unconserved sides chains):
PDB file : Tito_1OXS.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1OXS-query.scw
PDB file : Tito_Scwrl_1OXS.pdb: