Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MARGLALILFSLLMVFGSAAHAEDDPIAALIQLNKQMIKSVKDGDMDSAQQTFDTFKAKWKKEEPSIKKENLSSHSEMDANIAMISLSFINQDARKLKTQLEELASHLETY---QQAVVLKKTSSGQSRASLTAYIQSLKDT----KQFIEKK-----QLDEASSAI--DNLVT------------SWLAVEGD--VVSQSKEAYTTSEENLALMKAEIGSHP-----EKVSKQIDEMIQLLEPIASSSYSWWDAALIPVREGMEALLVIGALLTMTKKARVTRSSTWIWGGASAGMAVSLAAGIGVTVLFSSSVFGENNFLLGGVTGVLSAVMLLYVGVWLHRNASMDKWREKINIQKSQALKKRSLLSFALIAFLAVVREGLETVIFFIGLVGKLPLTELIGGTAAGLIVLVIVGVLMIKLGMRIPLKPFFLLSMAVVLYMCVKFLGTGVHSLQLAGILPSDAESWLPSVSVLGIYPSVYSTIPQMLILLFLLIALVSEAAKHFTNGKELTK 3TKL Chain:B ((75-236)) ---------------------------------------------------------------------------------SEELSLSEINEKMKAFSKDSEKLTQLMEKHKGDEKTVQSLQREHHDIKAKL-ANLQVLHDAHTGKKSYVNEKGNPVSSLKDAHLAINKDQEVVEHKGQFYLLQKGQWDAIKNDPAALEKAQKDYSQSKHDLATIKMEALIHKLSLEMEKQLETINDLIMSTDP------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TKL.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 : 376 29728 79.06 230.45 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain B : 0.50 3D Compatibility (PKB) : 79.06 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.50 QMean score : 0.493

(partial model without unconserved sides chains): PDB file : Tito_3TKL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TKL-query.scw PDB file : Tito_Scwrl_3TKL.pdb: