Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFLSKNGAGILACLLISILSWYLGGFF-P-----VIGAPVFAIFIGMLLH--PFLSSYKQLDAGLTFSSKKL----LQYAVVLLGF-GLNISQVFAV-GQSSLPVILSTISIALIIAYLFQRFFALDTKLATLVG--VGSSICGGSAIAATAPVIHAKEKEVAQAISVIFFFNVLAALIFPTLGTWLHLSNEGFALFAGTAVNDTSSVTAAASAWDSLYQSNTLESATIVKLTRTLAIIPITLFLSYWQSRQQENKQSLQLKKVFPLFILYFILASLLTTLLTSLGVSSSFFTPLKQLSKFLIVMAMSAIGLKTNLVAMVKSSGKSILLGAICWIAIILTTLGMQTLIGIF 5A1S Chain:D ((269-431)) -------AVGMVLSTTCFLLAYVVAKKILPSIGGVSIHYFAWMVLIVAALNASGLC--SPEIKAGAKRLSDFFSKQLLWVLMVGVGVCYTDLQEIIDALTFANVVIAAIIVVGAVVGAAIGGWLIGFYPIESSITAGLCMANRGGSGDLEVLSACN--RMNLISYAQISSRLGG----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5A1S.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 308 -40727 -132.23 -277.05 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain D : 0.51 3D Compatibility (PKB) : -132.23 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.051

(partial model without unconserved sides chains): PDB file : Tito_5A1S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5A1S-query.scw PDB file : Tito_Scwrl_5A1S.pdb: