Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDDLDKPIAYGRTAEIFAWGENQVLKLFHAWVGFDAVEYEYRIARTMQSCGLPVPQVGEIIEYKGR--YGITCQRIKGISMTESLARAPWKILRYARRMAELHARVHA--VTHPTDIPPLNPK------MARKILQAQSLP-----------------ARLREKALTRLEKLPEGHDLCHGDFHPDNILLTPQGEV--ILDWMDAGTGNPLADLARTSI------ILKGSIESGQIRHPLLK---RLAHLFHRAYLAQYFSLRPGGESEYALWLPIIAAARLSENISELEGWLVAQAERGLS 3W0O Chain:A ((43-288)) -------------------GRGYVLRVNSCADGFYKDRYVYR---HFASAALPIPEVLDIGEFSESLTYCIS-RRAQGVTLQDLPETELPAVLQ---PVAEVMDAIAAADLSQTSGFGPFGPQGIGQYTTWRDFICAIADPHVYHWQTVMDDTVSASVAQALDELMLWAEDCPEVRHLVHADFGSNNV-LTDNGRITAVIDWSEAMFGDPLYEVANIFFWRPWLACMEQQARYFERRHPELAGSPRLRAYMLRIGLDQLYQSLVDGNFDDAAW-----------------------------

General information: TITO was launched using: RESULT: Template: 3W0O.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 : 895 -8763 -9.79 -42.13 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -9.79 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.293

(partial model without unconserved sides chains): PDB file : Tito_3W0O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3w0o-query.scw PDB file : Tito_Scwrl_3W0O.pdb: