Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVHIGAEKGQIADTVLLPGDPLRAKFIAETYLENVECYNEVRGMYGFTGTYKGKKISVQGTGMGVPSISIYVNELIQSYDVQNLIRVGSCGAIRKDVKVRDVILAMTSSTDSQMNRVAFGSVDFAPCADFELLKNAYDAAKDKGVPVTVGSVFTADQFYND-DSQI-EKLAKYGVLGVEMETTALYTLAAKHGRKALSIL--TVSDHVLTGEE-TTAEER---QTTFHDMIEVALHSVSQ 4MCH Chain:A ((25-262)) KQPHICVDENQVSPYVIVCGEPDRVNRIVELM-DNVELLAENREYRVFNGVYKGTTITICSTGIGAPSMIIAVEELK-LCGATHVIRVGSAGAMQDHIQLGELIVAEGAVRDEGGSKAYISS-AYPAYASFALLKEISHFLENQSVKYYFGVVRSHDSFYTDEEDQLCQYWNKKGILGADMETSALFTVGRLRGLQVASILNNVVLYQ---EGVNQYVNDNKAMMNGERLAAITALETLC-

General information: TITO was launched using: RESULT: Template: 4MCH.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 : 1277 -118064 -92.45 -522.40 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -92.45 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.486

(partial model without unconserved sides chains): PDB file : Tito_4MCH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MCH-query.scw PDB file : Tito_Scwrl_4MCH.pdb: