Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKFVAELIGTFMLVFVGTGAVVFGNGLD--GLGHLGIAFAFGLAIVVAAYSIGTVSGAHLNPAVSIAMFVNKRLSSSELVNYILGQVVGAFIASGAVFFLLANS-GMSTASLGE----NALANGVTVFGGFLFEVIATFLFVLVIMTVTSESKGNGAIAGLVIGLSLMAMILVGLKITGLSVNPARSLAPAVLVGGAALQQVWIFILAPIAGGVLAALVAKNFLGTEE 3LLQ Chain:B ((2-227)) GRKLLAEFFGTFWLVFGGCGSAVFAAAFPELGIGFTGVALAFGLTVLTMAYAVGGISGGHFNPAVSVGLTVAGRFPASSLVPYVIAQVAGAIVAAAALYVIATGKAGIDLGGFASNGYGEHSPGGYSLVSALLIEIILTAFFLIVILGSTHGR-VPAGFAPIAIGLALTLIHLISIPVTNTSVNPARSTGQALFVGGWALQQLWLFWLAPIVGGAAGAVIWKLFGEK--

General information: TITO was launched using: RESULT: Template: 3LLQ.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 : 1176 -149136 -126.82 -680.99 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.87 3D Compatibility (PKB) : -126.82 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.384

(partial model without unconserved sides chains): PDB file : Tito_3LLQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LLQ-query.scw PDB file : Tito_Scwrl_3LLQ.pdb: