Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQQEQQQGGMKVKVQRFGSYLSGMIMPNIGAFIAWGIITALFIPAGWFPNEQLNTLVSPMITYLLPLLIAYTGGKMIYDHRGGVVGATAAIGVIVGSDIPMFLGAMIMGPLGGYLIKQTDKLFKDKVKQGFEMLINNFTAGIVGAALTILAFYAIGPVVLTLNKLLAAGVEVIVHANLLPVASVFVEPAKVLFLNNAINHGILSPIGIEQASQTGKSILFLVEANPGPGLGILLAYMFFGKGSSKSTAPGAAIIHFFGGIHEIYFPYILMKPALILAAIAGGASGLLTFTIFNAGLVAAASPGSIIALMAMTPRGGYFGVLAGVLVAAAVSFIVSAVILKSSKASEEDLAAATEKMQSMKGKKSQAAAALEAEQAKAEEASELSPESVNKIIFACDAGMGSSAMGASILRNKVKKAELDISVTNTAINNLP---SDADIVITHKDLTDRAK---AKLPNATHISVDNFLN-SPKYDELIEKLKK 1E2B Chain:A ((2-98)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EKKHIYLFSSAGMSTS-LLVSKMRAQAEKYEVPVIIEAFPETLAGEKGQNADVVLLGPQIAYMLPEIQRLLPNKPVEVIDSLLYGKVDGLGVLKAAVA

General information: TITO was launched using: RESULT: Template: 1E2B.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 : 438 -54002 -123.29 -600.02 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain A : 0.46 3D Compatibility (PKB) : -123.29 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.46 QMean score : 0.596

(partial model without unconserved sides chains): PDB file : Tito_1E2B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1E2B-query.scw PDB file : Tito_Scwrl_1E2B.pdb: