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 3W0R Chain:A ((43-288)) -------------------GRGYVLRVNSCADGFYKDRYVYR---HFASAALPIPEVLDIGEFSESLTYCIS-RRAQGVTLQDLPETELPAVLQ---PVAEVMDAIAAADLSQTSGFGPFGPQGIGQYTTWRDFICAIADPHVYHWQTVMDDTVSASVAQALDELMLWAEDCPEVRHLVHADFGSANVL-TDNGRITAVIDWSEAMFGDPLYEVANIFFWRPWLACMEQQARYFERRHPELAGSPRLRAYMLRIGLDQLYQSLVDGNFDDAAW-----------------------------

General information: TITO was launched using: RESULT: Template: 3W0R.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 : 901 -10238 -11.36 -49.22 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -11.36 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.321

(partial model without unconserved sides chains): PDB file : Tito_3W0R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3w0r-query.scw PDB file : Tito_Scwrl_3W0R.pdb: