Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGGNQILKQIIAKHLLDIQAVFLRPNEPFTWASGILSPIYCDNRLTLSFPEVRNDVASGISKLVKEHFPEAEMIAGTATAGIPHAALAADHLNLPMCYVRSKPKAHGKGNQIEGAVQEGQKTVVIEDLISTGGSVLEACAALQAAGCEVLGVVSIFTYGLPKAEEAFAKAELPYYSLTDYDTLTEVALENGNIHSDDLKKLQTWKRNPESKDWFKK 4RV4 Chain:B ((25-232)) ------MKKEIASHLLEIGAVFLQPNDPFTWSSGMKSPIYCDNRLTLSYPKVRQTIAAGLEELIKEHFPTVEVIAGTATAGIAHAAWVSDRMDLPMCYVRS-------GNQIEGKAEKGQKVVVVEDLISTGGSAITCVEALREAGCEVLGIVSIFTYELEAGKEKLEAANVASYSLSDYSALTEVAAEKGIIGQAETKKLQEWRKNPADEAWI--

General information: TITO was launched using: RESULT: Template: 4RV4.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 : 1067 -170432 -159.73 -847.92 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.89 3D Compatibility (PKB) : -159.73 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.675

(partial model without unconserved sides chains): PDB file : Tito_4RV4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RV4-query.scw PDB file : Tito_Scwrl_4RV4.pdb: