Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDWLDIAGKVVIVTGGSSGIGRSIVENLLKQ---------------------------NAQVANFDVTECRIQHENLLSLKVDVSSKTDIEEGIYKVMKHFKT--IDGLVNNAGINIPSLLIDRNHPKS-KYELSEQVFDKMIAVNQKSVYLMSQAVGRILVQ-KGSGVIVNLSSESGLEGSEG--QSCYAATKAAMNSFTRSWAKELGK-RNVRVVGVAPGILEETGLRTQEYEEALSYTRGISVEQLRNGYSRTSTIPLGRSGK-LQEVADLVCYYLS-ERSSYITGVTTNISGGKTRG--- 1AE1 Chain:A ((16-273)) ---RWSLKGTTALVTGGSKGIGYAIVEELAGLGARVYTCSRNEKELDECLEIWREKGLN-VEGSVCDLLS-----------------RTERDKLMQTVAHVFD-GKLNILVNNAGVVI---H--KEAKD-FT----EKDYNIIMGTNFEAAYHLSQIAYPLLKASQ-NGNVIFLSSIAGFS-ALPSVS-LYSASKGAINQMTKSLAC-EWAKDNIRVNSVAPGVIL-------------------QKEEIDNFIV-KTPM--GRAG-KPQEVSALIAFLCFP-AASYITGQIIWADGGFTANGGF

General information: TITO was launched using: RESULT: Template: 1AE1.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 : 972 -28930 -29.76 -140.44 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -29.76 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.536

(partial model without unconserved sides chains): PDB file : Tito_1AE1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1AE1-query.scw PDB file : Tito_Scwrl_1AE1.pdb: