Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVFINKDTRVIVQGITGSTALFHTKQMLEYGTNIVGGVTPGKGGTEAEGVPVFNTVAEAVQTTGANASVIYVPAPFAADAIMEAVDAELDLVICITEHIPVLDMVKVKRFMEGKKTRLIGPNCPGVITPEECKIGIMPGYIHKKGHVGVVSRSGTLTYEAVHQLSEAGVGQSTAVGIGGDPVNGTNFIDVLKAFNEDPDTHAVIMIGEIGGTAEEEAAEWVKANMTKPVVGFIGGKTAPPGKRMGHAGAIISGGKGTADEKIKTLNACGIEVAETPSVMGETLIKVLKEKNLFETCKTH 2NU8 Chain:D ((1-287)) -SILIDKNTKVICQGFTGSQGTFHSEQAIAYGTKMVGGVTPGKGGTTHLGLPVFNTVREAVAATGATASVIYVPAPFCKDSILEAIDAGIKLIITITEGIPTLDMLTVKVKLDEAGVRMIGPNTPGVITPGECKIGIQPGHIHKPGKVGIVSRSGTLTYEAVKQTTDYGFGQSTCVGIGGDPIPGSNFIDILEMFEKDPQTEAIVMIGEIGGSAEEEAAAYIKEHVTKPVVGYIAGVTAPKGKRMGHAGAIIAGGKGTADEKFAALEAAGVKTVRSLADIGEALKTVL------------

General information: TITO was launched using: RESULT: Template: 2NU8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1947 -200042 -102.74 -697.01 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain D : 0.90 3D Compatibility (PKB) : -102.74 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.647

(partial model without unconserved sides chains): PDB file : Tito_2NU8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NU8-query.scw PDB file : Tito_Scwrl_2NU8.pdb: