Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVMSDNTKYIFLSPHLDDAIFSCGDYISKLTSEGEIVLVITIFSGYPLSQQLQPSAKQFHKLCNLG-KY-PIEERKKEDRLACERLQCDFRHLS--------YYECLYRKDRNGNFLYRHIYSEL-----K--NEDTLKNDIIKELLMHLDDKCVVYCPLSLGDHVDHVFVNSIGRALEFM-RYKVIYYEDFPYVSDSSM-VSYMGKTKELKMYQEELDEKHYIDRISSILCYKSQILIIWKSVEKLLNNIKELYLRNGA--AYSIRFWIKK 3DFF Chain:A ((8-268)) ------TRLLAISPHLDDAVLSFGAGLAQAAQDGANVLVYTVFAGAAQPPY-SPAAQRMHTIWGLAPDDDAVLYRRKEDIAALDHLRVAHRHGRFLDSIYRKLPDGRWLTAHVE-G-RQKLAVNDHSPDSDHDLVGEVADDIRS--IIDEFDPTLVVTCAAIGEHPDHEATRDAALFATHEKNVPVRLWEDLPYAVFKSGAVELPQGFRLGSADVSSVKPEMRSQKFQAVERYSSQMVLLNGSENNLFDRLDEHARQNAPHGGYGETTWPVV

General information: TITO was launched using: RESULT: Template: 3DFF.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 : 1227 -33473 -27.28 -139.47 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -27.28 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.360

(partial model without unconserved sides chains): PDB file : Tito_3DFF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DFF-query.scw PDB file : Tito_Scwrl_3DFF.pdb: