Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKAVQVRKAY-DLVTAEVKKPVLSKDDEVLVKVKRVGICGSDMHIYHGTNP---LATLPRVIGHEVTGQVEAVGANVQSLKPGDHVVIEPISYCGSCYACRKGRPNVCAKLSVFGVHEDGGMREYIVLPERQLHAVSKDLPWEEAVMAEPYTIGAQAVWRGQVEKGDTVLIQGAGPIGICVLKMAKLAGAA-VMMTDLNNERLAFAKENGADAVVNVQAEHVAERVLEWTGNEGANVVIDAVCLPETFALSIEAVSPAGHVVVLGFDERAAQISQL-PITKKEVTITGSRLQ-TNQFPK-VVELLNGGRLMHNGLVTHTF-SVDDVHHAFQFIKEHPDQVRKAVITFD 2D8A Chain:A ((5-347)) MVAIMKTKPGYGAELVEVDVPK-PGPGEVLIKVLATSICGTDLHIYEWNEWAQSRIKPPQIMGHEVAGEVVEIGPGVEGIEVGDYVSVETHIVCGKCY------------TKIFGVDTDGVFAEYAVVPAQNIWKNPKSIPPEYATLQEPLGNAVDTVL-AGPISGKSVLITGAGPLGLLGIAVAKASGAYPVIVSEPSDFRRELAKKVGADYVINPFEEDVVKEVMDITDGNGVDVFLEFSGAPKALEQGLQAVTPAGRVSLLGLYPGKVTIDFNNLIIFKALTIYGITGRHLWETWYTVSRLLQSGKLNLDPIITHKYKGFDKYEEAFELMRAG--KTGKVVFML-

General information: TITO was launched using: RESULT: Template: 2D8A.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 : 1935 -229710 -118.71 -713.39 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -118.71 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.536

(partial model without unconserved sides chains): PDB file : Tito_2D8A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2D8A-query.scw PDB file : Tito_Scwrl_2D8A.pdb: