Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLFKKDRKQETAYFSDSNGQQKNRIQLTNKHADVKKQLKMVRLGDAELYVLEQLQPLIQENIVNIVDAFYKNLDHESSLMDIINDHSSVDRLKQTLKRHIQEMFAGVIDDEFIEKRNRIASIHLRIGLLPKWYMGAFQELLLSMIDIYEASITNQQELLKAIKATTKILNLEQQLVLEAFQSEYNQTRDEQEEKKNLLHQKIQETSGSIANLFSETSRSVQELVDKSEGISQASKAGTVTSSTVEEKSIGGKKELEVQQKQMNKIDTSLVQIEKEMVKLDEIAQQIEKIFGIVTGIAEQTNLLSLNASIESARAGEHGKGFAVVANEVRKLSEDTKKTVSTVSELVNNTNTQINIVSKHIKDVNELVSESKEKMTQINRLFDEIVHSMKISKEQSGKI-DVDLQAFLGGLQEVSRAVSHVAASVDSLVILTEE 5GAP Chain:G ((150-467)) ---LLDLSKFKIYYDNNHGYEWWDTAYLDEKGELMEKYDMNGTSPAEEKLAEDIDEVDDDD-----DDEHPSIRYVAHPLP-----EKINEAKVSIKAYLTQHERKRLRRNRRKMAREAREIKIKLGLLPK---PEPKVKLSNMMSVFEND-QNITDPTAWEKVVKDQVDLRKRKHLEENERRHEDAIKRRKEAVNM---------------------------------------------NVEKPTVYHCKVFQFKNLQNPKIRFKLKMNSKEL-----------SLKGLCLRI------------------RDDGPGIIIVVG--------NEKSCKFYENLVM----------KRIKWNEDFELHTNTGDIKMDM------HNNSISKTWEGYLQDCKFKGWFMKVCNDQDSLLRTLGQFDSEHFYSPV

General information: TITO was launched using: RESULT: Template: 5GAP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 837 -40919 -48.89 -129.08 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain G : 0.64 3D Compatibility (PKB) : -48.89 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.258

(partial model without unconserved sides chains): PDB file : Tito_5GAP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5GAP-query.scw PDB file : Tito_Scwrl_5GAP.pdb: