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



Input alignment information:
Query sequenceMGNTNGDSAFNKRTIAAALANYIDAGSIVAGSAGLSLWVSYLKLSDTQIGLLGALSANAISAAVGALLGGFLADKVGRKAVYTNSMLVYALGICLVLFG---VNFPMLLSGYIIIGLSVGADITASWTIIAENAPKKNRARHCGVAQVAWAAGAVVVLLLSVLAGDLGLLGNKIVFAHLLVIALITYILRIRLPESDAWQTKN-QP-EE--A--------QA---E---------KPAVLNKTSYFDLLKPMY-LKSILFLMGVYLVWNL-AAGVMGFFMPYIYQQVGGVSANMANLLQMGLFIFTGLGVALIFMPFADKY-RKTVFGIAAFMAVIGWTLFLLP----VEGL---PILLLFIVVIGINNGAGQQANYQLWASEIFPTQYRASAQGLMFFLVRISIGIWSLFVPMIITNFGIGTMAAILLGCVTASMIIGLLFAPNTSGKSLEQIQEELYGSPQSQVKKGTESKIM
4PYP Chain:A ((63-455))----------------------------------------------TLWSLSVAIF--SVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGFSKLGKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGTLHQLGIVVGILIAQVFGLDSIMGNKDLWPLLLSIIFIPALLQCIVLPFCPESPRFLLINRNEENRAKSVLKKLRGTADVTHDLQEMKEESRQMMREKKVTILELFRSPAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEK-AGVQ--QPVYATIGSGIVNTA-FTVVSLFVVQRAGRRTLHLIGLAGMAGCAILMTIALALLEQLPWMSYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVEQLCGP-YVFIIFTVLLVLFFIFTYFKVPET-----------------------------


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 : 1532 -238160 -155.46 -668.99
target 2D structure prediction score : 0.67
Monomeric hydrophicity matching model chain A : 0.66

3D Compatibility (PKB) : -155.46
2D Compatibility (Sec. Struct. Predict.) : 0.67
1D Compatibility (Hydrophobicity) : 0.66
QMean score : 0.271

(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: