Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRVVITGMGINSCIGNSLEEVTHSLKNGISGTRFNPTYAELNFKSHVSAAAEQDFDNIDRKLKRFMGVC--------AMYAYNSAVA--------AVEHAGLKAEDLA----DNPRYGIAGGSGGGSTASVVEMTELLETKGARKVGPFFVPRNMTNTITANVGVAFKLQGIAHSIASACATSADAIGYAYNLIALGKQDLMLAGGGEEDHWSQSLL-FDAMGALCSKYNDTPETASRPYSKDRDGFVIAGGGGFVVLESLEHAQARGANILAEVVAYAANSDGADMVAPS--GEGATRCILMALEEAKQHGV--DKIDYVNTHGTSTPAGDVTELKAMERAFGEGKVP---PLSSTKSMTGHSLGAAGVHEAIYSVLMLQNDFIAPNINVTELDE-GTEGFDIVLEKRDTKLNTVMSNSFGFGGVNACLIFKKWDA 2IX4 Chain:B ((1-428)) -RRVVVTGLGMVTPLGRGVETTWRRLIDGECGIR-GLTLDDLKMKSFDEETKLYTFDQLSSKVAAFVPYGSNPGEFDEALWLNSKAVANFIGYAVCAADEALRDAEWLPTEEEEKERTGVSIGGGIGSICDIVEAAQLICEKRLRRLSPFFIPKILVNMASGHVSMKYGFQGPNHAAVTACATGAHSIGDATRMIQFGDADVMVAGGTESSIDALSVAGFSRSRALSTKFNSSPQEASRPFDCDRDGFVIGEGSGVIVLEEYEHAKRRGAKIYAELCGYGMSGDAHHITQPPEDGKGAVLAMTRAL---RQSGLCPNQIDYVNAHATSTPIGDAVEARAIKTVFSEHATSGTLAFSSTKGATGHLLGAAGAVEAIFSILAIHHGVAPMTLNVKNPDPIFDKRFMPLTTSKKMLVRTAMSNSFGFGGTNASLLF-----

General information: TITO was launched using: RESULT: Template: 2IX4.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 : 2525 34332 13.60 86.05 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : 13.60 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.342

(partial model without unconserved sides chains): PDB file : Tito_2IX4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IX4-query.scw PDB file : Tito_Scwrl_2IX4.pdb: