Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------MTVLPPKINVPATPALDGVDINSLYDVNHGKLLGKGGFSEVLAVRHIPSGEIRALKVMMRSSLVGKKAEMVAHEKEILRRTCHPAIITLHEAVQTPDKVYFALDLMN-EDLFEFIVRNK-TVNEDLSRAIMHQLMSGIAYLHEQSIVHRDIKPENILINVVVKSEANNAANDDSESATRVEGLQVMSDINSIPLEKLNVEVKIADFGLAKVVMEWDVCSTPCGTSFYIAPEVIRGIEEQGAKPLCTNQRLVKSVDVWSAGVVFYVLLCGRPPFHGQVRTGQDRRDLLRRIDHGVLFNPNHGWDSISAEAKNLILKMLDQESSKRITSDEVLRHPFFTAHGYSRPVPASDARRRFMQMQQLSLRTKVPAAQSAEAQVKTMSPLSGPDGQQIKVSSSGGGSSSKGSSNSTGSFLSSIKDFFGHRSKHTSDISKEERQRMHAELAELQATVIAEEDQEGDVTSYKPSMPVKEAKPARTAVMNMKAKVGPDALRK 1KOB Chain:A ((23-374)) INDYDKFYEDIWKKYVPQPVEVKQGSVYDYYDI--LEELGSGAFGVVHRCVEKATGRVFVAKFINTPY--PLDKYTVKNEISIMNQLHHPKLINLHDAFEDKYEMVLILEFLSGGELFDRIAAEDYKMSEAEVINYMRQACEGLKHMHEHSIVHLDIKPENIMCE-----------------------------------TKKASSVKIIDFGLATKLNPDEIVKVTTATAEFAAPEIVD------------REPVGFYTDMWAIGVLGYVLLSGLSPFAGE-----DDLETLQNVKRCDWEFDEDAFSSVSPEAKDFIKNLLQKEPRKRLTVHDALEHPWLKGDHSNLTSRIPSSRYNKIRQKIKEKYADWPAPQPAIGRIANFSSLRKHRPQEYQIYDS--------------------------------YFDRKEA---------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1KOB.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 : 1832 58703 32.04 170.65 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 32.04 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.381

(partial model without unconserved sides chains): PDB file : Tito_1KOB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KOB-query.scw PDB file : Tito_Scwrl_1KOB.pdb: