Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLINEQLVKRVITPRPKISHKGTFGRIVLIGGNEQYGGAIIMSALAAVHSGAGLTTVVTDEKNRSALHSHLPEAMIVVWTDT---------DQFLSVIKQADVLLIGPGLGTSSKSLERFKQVLENQSKEQWLVIDGSALSLLAANH-LLLPYPEQTVLTPHQMEWQRLSSLPIQ--EQRDKENKKKQQEIGAVLVLKSHETKIYGHQHFYTNPLGSAAMATGGMGDTLAGMITGFLAQFPQNDQTIAAAIYLHSFIGDQLAKEQYIVLPTQISEALPKWMNYFCKKSMENEA 3RTA Chain:A ((224-501)) ---TREMVRSLLPERPRDSHKGTYGKVLIIAGSRLYSGAPVLSGMGSLKVGTGLVKLAVPFPQNLIATSRFPELISVPIDTEKGFFSLQNLQECLELSKDVDVVAIGPGLGNNEHVREFVNEFLK--TLEKPAVIDADAINVLDTSVLKERK--SPAVLTPHPGEMARLVKKTVGDVKYNYELAEEFAKENDCVLVLKSATTIVTDGEKTLFNITGNTGLSKGGSGDVLTGMIAGFIAQGLSPLEASTVSVYLHGFAAELFEQDERGLTASELLRLIPEAIRRLK--------

General information: TITO was launched using: RESULT: Template: 3RTA.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 : 1677 -8784 -5.24 -33.02 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -5.24 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.610

(partial model without unconserved sides chains): PDB file : Tito_3RTA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RTA-query.scw PDB file : Tito_Scwrl_3RTA.pdb: