Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKIYEKYRDLITNPFDIKYKNIEIKEIISYPPAGNDVVECLCKIGKDA-RNVFIKIERSKV-CDFATEIKNLNYLKNNSYYSKIPNIYESGIYNNKQYIVLSKIEGERLSDILIKNDNLRKELLYKYGQELAIIHRIPISNQKI--AKQRAINS--YPNKTMYTTL---SKE---NNIKEYIKFLEDNDFKKELTTFIHGDFHYANVLWLNNDINGVIDWEYSGIGLREQDIAWACTLRPGQKFMDTMEDIQTFLKGYSEKEKFDI--EKLRWCLINSYCHFYLMNENNEDYKNKLLILLRNCMEEKI 4GKH Chain:A ((35-269)) ----------------------------------GQSGATIYRLYGKPNAPELFLKHGKGSVANDVTDEMVRLNWLTAF---MPLPTIKHFIRTPDDAWLLTTAIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRLAQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDFSLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWN----CLGEFSPSLQKRLFQKYGIDNPDMNKLQFHLMLD---------------------------------

General information: TITO was launched using: RESULT: Template: 4GKH.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 : 948 11045 11.65 49.98 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 11.65 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.341

(partial model without unconserved sides chains): PDB file : Tito_4GKH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4gkh-query.scw PDB file : Tito_Scwrl_4GKH.pdb: