Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKKVGVGQAHSKIILIGEHAVV-YGYPAISLPLLEVEVTCKVVPAESPWRLYEED-T---LSM-----AV----Y---ASLE----Y---LNITEACIRCEIDSAI----PEKRGMGSSAAISIAAIRAVFDYYQADLPHDVLEILVNRAEMIAHMNPSGLDAKTCLSDQPIRFIK--NVG----------------------FTELEMDLSAYLVIADTGVYGHTREAIQVVQNKGKD----ALPFLHALGELTQQAEIAISQKDAEGLGQILSQAHLHLKEIG------VSSLEADSLVETALSHGALGAKMSGGGLGGCIIALVTNLTHAQELAERLEEKGAVQTWIESL 3K17 Chain:B ((5-347)) ---NKLQVKIPGKLYVAGEYAVVESGHTAILTAVNRY-ITLTLEDSERNELWIPHYENPVSWPIGGELKPDGEHWTFTAEAINIATTFLKSEGIELTPVKMVIETELIDQSGAKYGLGSSAAATVAVINALMTKFYPEISMLKKFKLAALSHLVVQGNGSCGDIASCMYGGWIAYTTFDQEWVKHRLAYKSLEWFMKEPWPMLQIETLEE-PVPTFSVGWTGTPVSTGKLVSQIHAFKQEDSKNYQHFLTRNNEIMKQIIQAFHTKDEELLYSSIKENRRILQELGTKAGVNIETSLLKELADSAENMGG-AGKSSGSGGGDCGIAFSKTKELAEKLVNEWEKLGIKHL-----

General information: TITO was launched using: RESULT: Template: 3K17.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 : 1410 -41250 -29.25 -146.80 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -29.25 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_3K17.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K17-query.scw PDB file : Tito_Scwrl_3K17.pdb: