Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTRHFSQLPKAALAYPKVVQGLIFKKPKGPKILPQVEYVVDTLEIDQNHLKAYNEVCGFQNN--------GFV-PAIYLAVLSQSLQMHMMTAEAFPFPILGLVHIRNQIKQT---RPIGVTEKLTLSCKLGELKPHDKGVQFDFITTAKVGNEVVMEGLTTYLSRQKVEKRVGE---K--AK------------EE--------QA------------------------------------------------------------P-------------------A-YVPKAEWNILENTGRRYAKVSGDFNLIHIHAITAKAFGFKQAIAHGMWSKAKALANLE-L-----P-NAYEADVWFKLPMFLPSKVEFLTANAD---KK--TDFLIRNAKSQKPHVAGTVKAL 3HMJ Chain:H ((1261-1656)) ----------RIKEMYWKLWIDEPFN----LDFDPRDVIKGKDFEITAKEVYDFTHAVGNNCEDFVSRPDRTMLAPMDFAIVVGWRAIIKAIFPNTVDGDLLKLVHLSNGYKMIPGAKPLQVGDVVSTTAVIESVVNQPTGKIVDVVGTLSRNGKPVMEVTSSFFYRGNYTDFENTFQKTVEPVYQMHIKTSKDIAVLRSKEWFQLDDEDFDLLNKTLTFETETEVTFKNANIFSSVKCFGPIKVELPTKETVEIGIVDYEAGASHGNPVVDFLKRNGSTLEQKVNLENPIPIAVLDSYTPSTNEPYARVSGDLNPIHVSRHFASYANLPGTITHGMFSSASVRALIENWAADSVSSRVRGYTCQFVDMVLPNTALKTSIQHVGMINGRKLIKFETRN-EDDVVVLTGEAE--

General information: TITO was launched using: RESULT: Template: 3HMJ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 1246 -1088 -0.87 -4.07 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain H : 0.63 3D Compatibility (PKB) : -0.87 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.360

(partial model without unconserved sides chains): PDB file : Tito_3HMJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HMJ-query.scw PDB file : Tito_Scwrl_3HMJ.pdb: