Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------MTHPLFLEPVFKERLWGGTKLRDAFGYAIPSQKTGECWAVSAHA-----HGSSSVKNGPLAGKTLDQVWKDHPEIFGF------------PDGKVFPLLVKLLDA-NMDLSVQVHPDDDYAKLHENGDLGKTECWYIIDC-KDDAELILGHHASTKEEFKQRIESGDWNGLLRRIKIKPGDFFYVPSGTLHALCKGTL-VLEIQQNSDTTYRVYDYDRCNDQGQKRTLHIEKAMEVITIPHIDKVHTPEVKEVGNAEIIVYVQSD----------------------------YFSVYKWKISGRAAFPSYQTYLLG----SVLSGSGRIINNGIQYECNAGSHFILPAHFGEFTIEGTCEFMISHP 4XGC Chain:E ((1-458)) MEAICSSLEPLFPCREAAIETLGELIGDSSETYPSAIYLFGHSGTGKTALTRAFLKECGKRQNVRTAHLNAIECYTTKIMLEILLDSLAPDQGDALKVDNMLDFVEQLRRQAATRVEDQGFLIAVDNAERLRDMDANVLPVLLRLQELTNLNLCVILLSQLPFEKFYNKTGLSEIVCLHLAQYNKAETQRILGS--DFQQVRNQLLEQKKRLEICQE-AVTEDFYNNYLNLFLSVFYKACRDVPELQLTARKCLSTYLEPVLDGTSRLW-RHIAGPLRSALTQIYMRIESLELPYYAKFLLIAAFLASHNAAKQDKRLFSTTLGPKSFSIDRLLAIFYAILEEKVGLTCNLLSQISTLVHLNLLSFVSGEQNIMEGSARLQCTIGLEFVL--QIGKVVGFNVRQYLCD--

General information: TITO was launched using: RESULT: Template: 4XGC.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 930 -150819 -162.17 -491.27 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain E : 0.65 3D Compatibility (PKB) : -162.17 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.178

(partial model without unconserved sides chains): PDB file : Tito_4XGC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XGC-query.scw PDB file : Tito_Scwrl_4XGC.pdb: