Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDYKETAKRLIELLGGKENIISAAHCATRLRLVMKDESKIDQAQVEELDGVKGAFSSSGQYQIIFGTGLVNKVFDAFSKEADIEREEHVNHQDAAKEKLNPAARFAKTLSNIFVPIIPAIVASGLLMGLLGMINAF--HWMS--KDSALLQLLDMFSSAAFIFLPILI----GVSASKEFGSNPYLGAVIGGI---MIHPNLLNPWGLAEATPDYMHLFGFDIALLGYQGTVIPVLLAVYVMSKVEKWTR-----KVVPHAVDLL-------VTPFVTVI-VTGFVAFIAIGPLGRALGSGITVALT-YVYDH-AGFVAGLIFGGTYSLIVLTGVHHSFH--AIE----AG----LIA--DIGKN-Y--LL-PIWS-MANVAQGGAGLA----VFFMAKKAKTKEIALPAAFSAFLGITEPVIFGVNLR----YRKPFIAAMIGGALGGAYVVFTHVAANA-----Y-GLTGIPMIAIAAPFGFSNLIHYLIGMAIAAVSAFIAAFVMKINEDEERKK 3QNQ Chain:A ((13-426)) ------------------------------------------------------------------------------------------------AGKVAEQRHLLAIRDGLVLTMPFLIIGSIFLIISTLPIPGYSEFMASLFGKNWNVALGYPVSATFNIMALIAVFGIAYRLGEYYKVDALASGALSLVTFLLATPFQVAYIMPGTKE-SILVDGVIPAALM-GSQGLFVAMIIAIISTEIYRFLVQKKMIIKMPETVPPAVTRSFAALIPGFIVVTVVWIIRLIFEHTTFGSIHNVVGKLLQEPLSILGASLWGAVIAVILVHVLWACGIHGATIVGGVMSPIWLSLMDQNRIAFQAGQDVPNTITAQFFDLWIYMGGSGATLALVVGMLLFARSQQLKSLGRLSIAPGIFNINEMVTFGMPIVMNPLLLIPFIVVPVVLTIVSYFAMEWGLVARPSGAAVTWTTPILFS--GYLGSG-G-KISGVILQLVNFALAFVIYLPFLKIWDKQK--

General information: TITO was launched using: RESULT: Template: 3QNQ.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 : 1565 -170949 -109.23 -478.85 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -109.23 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.047

(partial model without unconserved sides chains): PDB file : Tito_3QNQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QNQ-query.scw PDB file : Tito_Scwrl_3QNQ.pdb: