Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRNKRERQELLQQTIQATPFITDEELAGKFGVSIQTIRLDRLELSIPELRERIKNVAEKTLEDEVKSLSLDEVIGEIIDLELDDQAISILEIKQEHVFSRNQIARGHHLFAQANSLAVAVIDDELALTASADIRFTRQVKQGERVVAKAKVTAVEKEKGRTVVEVNSYVGEEIVFSGRFDMYRSKHS 4A0Z Chain:B ((52-188)) ----------------------------------------------IPELRKRIKLVAEKNY-DQISSIEEQEFIGDLIQVNPNVKAQSILDITSDSVFHKTGIARGHVLFAQANSLCVALIKQPTVLTHESSIQFIEKVKLNDTVRAEARV--VNQTAKHYYVEVKSYVKHTLVFKGNFKMFYDK--

General information: TITO was launched using: RESULT: Template: 4A0Z.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 : 673 -76030 -112.97 -554.96 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -112.97 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.500

(partial model without unconserved sides chains): PDB file : Tito_4A0Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4A0Z-query.scw PDB file : Tito_Scwrl_4A0Z.pdb: