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



Input alignment information:
Query sequenceMKLNKYIDHTLLKQDAKKKQIDSLLSEAREYGFASVCVNPTWVEHAKKGLEGTDVKVCTVVGFPLGATTSAVKAFETKEAIQNGADEIDMVINVGALKSGNLALVESDIRAVVEASGDKLVKVIIEACLLTD--QEKIV--VCQLAQKAGADFVKTSTGF-STGGATIADVTLMRETVGSDMGVKAAGGARSYADALAFVEAGATRIGTSAGVAILKGELADGDY
3NDO Chain:A ((12-227))-QVAALVDHTLLKPEATPSDVTALVDEAADLGVFAVCVSPPLVSVAA-GVAPSGLAIAAVAGFPSGKHVPGIKATEAELAVAAGATEIDMVIDVGAALAGDLDAVSADITAVRKAVRAATLKVIVESAALLEFSGEPLLADVCRVARDAGADFVKTSTGFHPSGGASVQAVEIMARTVGERLGVKASGGIRTAEQAAAMLDAGATRLGLSGSRAVLDG-------


General information:
TITO was launched using:
RESULT:

Template: 3NDO.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 : 1290 -91144 -70.65 -431.96
target 2D structure prediction score : 0.66
Monomeric hydrophicity matching model chain A : 0.84

3D Compatibility (PKB) : -70.65
2D Compatibility (Sec. Struct. Predict.) : 0.66
1D Compatibility (Hydrophobicity) : 0.84
QMean score : 0.497

(partial model without unconserved sides chains):
PDB file : Tito_3NDO.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3NDO-query.scw
PDB file : Tito_Scwrl_3NDO.pdb: