Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------MYDQLQAIEDRYEELGELLSDPEVISDTKRFMQLSKEEANTRETVEVYRR-YKEVVQGITDTEELLGEKLDDEMAELAKEELSELKKEKEVLEEKIKILLL-PKDPNDDKNIIMEIRGAAGGDEAALFAGDL-FNM-YQKYAEAQGWKTEVMEANVTGIGGYKEVIMMITGDNVYSKLKYESGAHRVQRVPSTESQGRIHTSTATVVVMPEAEE-VEIDIEDKDIRTDIYHASGAGGQHVNKTASAVRLTHLPTGIVVAMQDERSQIKNREKA-MKIL-RARVYDKI-QQEAQSEYD-ANRKSAVGTGDRSERIRTYNFPQNRVTDHRIGLTIQKLDQILAGKLDEIVDALIMYDQTSKLEAMQNG 1GQE Chain:A ((4-365)) INPVNNRIQDLTERSDVLRGYLDYDAKKERLEEVNAELEQPDVWNEPERAQALGKERSSLEAVVDTLDQMKQGLEDVSGLLELAVEAD-DEETFNEAVAELDALEEKLAQLEFR-----RMFSGEYDSADCYLDIQAGSGGTEAQDWAS--MLERMYLRWAESRGFKTEIIEESEGEVAGIKSVTIKISGDYAYGWLRTETGVHRLVRKSPFDSGGRRHTSFSSAFVYPEVDDDIDIEINPADLRIDVYRASGAGGQHVNRTESAVRITHIPTGIVTQCQNDRSQHKNKDQAMKQ--MKAKLYEVEMQKKNAEKQAMEDNKSDIGWGS---QIRSYVLDDSRIKDLRTGVETRNTQAVLDGSLDQFIEASLKAGL----------

General information: TITO was launched using: RESULT: Template: 1GQE.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 : 1416 126383 89.25 378.39 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 89.25 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.424

(partial model without unconserved sides chains): PDB file : Tito_1GQE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1GQE-query.scw PDB file : Tito_Scwrl_1GQE.pdb: