Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQQEQQQGGMKVKVQRFGSYLSGMIMPNIGAFIAWGIITALFIPAG-----WFPN------EQLNTLVSPMITYLLPLLIA----YTGGKMIYDH--RGGVVGAT---AAIGVIV-----G---------------SDIPMFLGAMIMGPLGGYLIKQTDKL-FKDKVKQGFEML-------INNFTAGIVGA-ALTILAFYAI----GPVVLTLNKLLAAGVEVIVHANLLPVASVFVEPAKVLFLNNAINHGILS--PIG----IEQ----AS--QTGKS--ILFL--V---EANPGPGLGILL----AYMFFGK-GSSKSTAPGAAIIHFFGGIHEI-YFPYIL-MKP---ALILAAIAGGASGLLTFTIFNAGLVA--AASPG---SIIALMAMTPRGGYFGVLAGVLVAAAVSFIVSAVILKSSKASEEDLAAATEKMQSMKGKKSQAAAALEAEQAKAEEASELSPESVNKIIFACDAGMGSSAMGASILRNKVKKAELDISVTNTAINNLPSDADIVITHKDLTDRAKAKLPNATHISVDNFLNSPKYDELIEKLKK 3QNQ Chain:A ((13-426)) ---------AGKVAEQRHLLAIRDGLVLTMPFLIIGSIFLIISTLPIPGYSEFMASLFGKNWNVALGYPVSATFNIMALIAVFGIAYRLGEYYKVDALASGALSLVTFLLATPFQVAYIMPGTKESILVDGVIPAALMGSQGLFVAMIIAIISTEIYRFLVQKKMIIKMPETVPPAVTRSFAALIPGFIV---VTVVWIIRLIFEHTTFGSIHNVVGKLLQEPLSILGASLWGAVIAVILVHVLWAC----GIHGATIVGGVMSPIWLSLMDQNRIAFQAGQDVPNTITAQFFDLWIYMG-GSGATLALVVGMLLFARSQQLKSLGRLSIAPGI-FNINEMVTFGMPIVMNPLLLIPFIVVPVVLTIVSYFAMEWGLVARPSGAAVTWTTPILFSGYLG--SGGKISGVILQLVNFALAFVIYLPFLKIWDKQK-----------------------------------------------------------------------------------------------------------------------------------

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 : 1393 -199645 -143.32 -610.53 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -143.32 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.059

(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: