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



Input alignment information:
Query sequenceMNKQGNQMSFLRTIILVSTFGGLLFGYDTGVLNGALPYMGE-PDQLNLNAFTEGLVTSSLLFGAALG-AVF--GGRMSDFN--------GRRKNILFLAVIFFISTIGCTFAP---NVTVMIISRFVLGIAVGGASVTVPAYLAEMSPVESRGRMVTQNELMIVSGQLLAFVFNAILGTTMGDNSHVWRFMLVIASLPALFLFFGMIRMPESPRWL-VSKGRKEDALRVLKKIRDEKRAAAELQEIEFAFKKEDQLEKATFKDL-SVPWVRRIVFIGLGIAIVQQITGVNSIMYYGTEILRNSGFQTEAALIGNIANGVISVLATFVGIWLLGRVGRRPMLMTGLIGTTTALLLIGIFSLVLEGSPALPYVVLSLTVTFLAFQQGAISPVTWLMLSEIFPLRLRGLGMGVTVFCLWMVNFAVSFTFPILLAAIGLSTTFFIFVGLGICSVLFVKRFLPETKGLSLEQLEENFRAYDHSGAKKDSGAEVIG
4PYP Chain:A ((19-455))-----------------AVLGSLQFGYNTGVINAPQKVIEEFYTQTWVHRYGESILPTTLTTLWSLSVAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGFSKLGKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGTLHQLGIVVGILIAQVFG--LDSIMG-NKDLWPLLLSIIFIPALLQCIVLPFCPESPRFLLINRNEENRAKSVLKKLRGTADVTHDLQEMKEESRQMMREKKVTILELFRSPAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEKAGVQQ--PVYATIGSGIVNTAFTVVSLFVVQRAGRRTLHLIGLAGMAGCAILMTIALALLEQLPWMSYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVEQLCG-PYVFIIFTVLLVLFFIFTYFKVPET------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4PYP.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 : 2103 -311056 -147.91 -740.61
target 2D structure prediction score : 0.66
Monomeric hydrophicity matching model chain A : 0.77

3D Compatibility (PKB) : -147.91
2D Compatibility (Sec. Struct. Predict.) : 0.66
1D Compatibility (Hydrophobicity) : 0.77
QMean score : 0.381

(partial model without unconserved sides chains):
PDB file : Tito_4PYP.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4PYP-query.scw
PDB file : Tito_Scwrl_4PYP.pdb: