Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTSRKVVIVGTGFVGTSIAYAMINQGISNELVLIDVNQEKAEGEALDLLDGMAWGDENVAVWSGGYEECKDADIVVITAGINQKPGQSRLDLVKTNASIMRQIVKEIMGSGFDGIIVVASNPVDILTYIAWNESGLPTSRVIGTGTTLDTTRFRKEIALKLKVDPRSVHGYILGEHGDSEVAAWSHTTVGGKPVFEIVEKDHRIAQDELDVIADKVRNAAYEIIDRKKATYYGIGMSTARIVKAILNNEQAVLPVSAYLTGEYDEKDIFTGVPSIVDENGVREVVELSINEEEKAMFSKSTSALREVLNTVL 3WSV Chain:B ((3-313)) --KTSRKVVIVGTGFVGTSIAYAMINQGVANELVLIDVNQEKAEGEALDLLDGMAWGEKNVSVWSGTYEECQDANLVILTAGVNQKPGQTRLDLVKTNATITRQIVKEVMASGFDGIFVVASNPVDILTYLTWQESGLPASRVVGTGTTLDTTRFRKEIALKLAVDPRSVHGYILGEHGDSEVAAWSHTTVGGKPIMEYVEKDHRLEENDLTVLADKVKNAAYEIIDRKKATYYGIGMSTTRIVKAILNNEQAVLPVSAYLNGEYGEEDIFTGVPSIVDENGVREIIDLSITPQEKAMFHQSVSELKAVLDTV-

General information: TITO was launched using: RESULT: Template: 3WSV.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1826 -233147 -127.68 -749.67 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.97 3D Compatibility (PKB) : -127.68 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.97 QMean score : 0.603

(partial model without unconserved sides chains): PDB file : Tito_3WSV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WSV-query.scw PDB file : Tito_Scwrl_3WSV.pdb: