Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------MDKLLKIMQELREKCPWDQEQTSMSLTKYAIEEAYEVEAAIRQGDINEIRNELGDLLLQVVFQSQMFSE--------QGAFNFQDVVEAISEKLVRRHPHVFQADQFNNLI-----PEQVSELWKQIKQQEKQGKPQSRLDEIKHGPA---------LSQAQEIQKNVAKVGFDFETVEDAYTKLEEELDEFKQALKNQN--------SDEIQDEFGDCLFSLVN-----VGRKLGISSESSLLSTIHKFRSRFA-FIEEQAIKQQRTLEDMTLSEMDEL-WNQAKRQLKSGEKPHAIQHEILEK---------------------------- 5EYB Chain:A ((12-358)) ARWTAEHWDYLERRMQNFCQTYSLDHTQVADSLHEKRLHGPLSSLVKLLVQEMPSFTRRTILRHLRALYNIPGYEKYSRKNSSGRGDFGVQETAIISQEVHNFIMDQGWSEYQFCNQIWAGKCPKTIRMFYSNLYKKLSHRDAKSIYHHVRRAYNPFEDRCVWSKEEDEELRKNVVEHGKCWTKIGRKMARMPNDCRDRWRDVVRFGDKLKRNAWSLEEETQLLQIVAELSDINWTLVAQMLGTRTRLQCRYKFQQLTKAASKFELQENVWLLERIYDSLLNNGGKIHWENIVKEANGRWTRDQMLFQFINLKKMIPSYDNLPLLEATKSAIDDFKVVLS

General information: TITO was launched using: RESULT: Template: 5EYB.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 : 846 13047 15.42 48.68 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 15.42 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.400

(partial model without unconserved sides chains): PDB file : Tito_5EYB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5EYB-query.scw PDB file : Tito_Scwrl_5EYB.pdb: