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



Input alignment information:
Query sequenceMTDATAGKIPHVLVIMDGVGHREAIEDNAFLAAKNPNLTAMKAKHPNSLISGSGEDVGLPDGQMGNSEVGHMNLGAGRVLYQDFTRITKDIRTGAFFEHEVLVDAVEKAKAAGGAVHIMGLLSEGGVHSHEDHIVAMCELALKRGA-KVYLHAFLDGRDTPPRSAQPSLEKLDALFAQYEGKGRIATMIGRYFAMDRDNRWDRVEQAYRLLTEGEAVRTAT-TAVEGLELAYAANENDEFVKATRIGEI-AKVQDGDSVVFMNFRADRAREITHAFVEKDFAGFERTV-VPNLSKFVMLTRYQASIDAPVAYMPEELKNSLGEYLSSLGKTQLRIAETEKYAHVTFFFSGGREDEYPGEKRILIPSPNVATYDLKPEMSAYEVTDELVKAINSGEYDLLVVNYANGDMVGHTGVFDAAVKAVEAVDTCLGRVYEAVMAKKGHMLITADHGNVEQMQDYESGQVHTQHTTELVPFIYVGPTQA---TIAEGGVLADVAPTILNLMQIPVPAEMQGRNLITLSA
5KGN Chain:B ((3-521))MANNSSVANKVCLIVIDGWGVSEDPYGNAILNAQTPVMDKLCSGN-WAQIEAHGLHVGLPEGLMGNSEVGHLNIGAGRVIYQDIVRINLAVKNNKFVTNESLVDACDRAKNGNGRLHLAGLVSDGGVHSHIDHMFALVKAIKELGVPELYLHFYGDGRDTSPNSGVGFLEQTLEFLEKTTGYGKLATVVGRYYAMDRDNRWERINVAYEAMIGGVGETSDEAGVVEVVRKRYAADETDEFLKPIILQGEKGRVQNDDTIIFFDYRADRMREISAAMGMDRYKDCNSKLAHPSNLQVYGMTQYKAEFPFKSLFPPASNKNVLAEWLAEQKVSQFHCAETEKYAHVTFFFNGGLEKQFEGEERCLVPSPKVATYDLQPEMSAAGVADKMIEQLEAGTHPFIMCNFAPPDMVGHTGVYEAAVKACEATDIAIGRIYEATQKHGYSLMVTADHGNAEKMKAPD-GGKHTAHTCYRVPLTLSHPGFKFVDPADRHPALCDVAPTVLAIMGLPQPAEMTGVSIVQKI-


General information:
TITO was launched using:
RESULT:

Template: 5KGN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 3212 -68621 -21.36 -134.03
target 2D structure prediction score : 0.64
Monomeric hydrophicity matching model chain B : 0.81

3D Compatibility (PKB) : -21.36
2D Compatibility (Sec. Struct. Predict.) : 0.64
1D Compatibility (Hydrophobicity) : 0.81
QMean score : 0.498

(partial model without unconserved sides chains):
PDB file : Tito_5KGN.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-5KGN-query.scw
PDB file : Tito_Scwrl_5KGN.pdb: