Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------MKASVIIPAYNSKERLYNSLLSLNQQECDEEFEVIVADNGSEDGTLSMLESFQADFP---LIFTRIKENRGIAYGRNQALRNARGDILIFHDSDMLA-AKDLVAKHIKAHENEENLVVCGLFWKRIYSFYYERFEEEHKEQLAKLTGEMPKKDKQKLLEEADIKNGSFLDKSFDLDTDFIDVLKKILDEYGDDLKGYHMPWRFFITNNSSVKRKHVVDLGLFDEGIVRYGFEDYDLGIRLHQAGLTFRLRRDIVSVHQEHPSNCKSVDDIRANIAYMCDKYNNIRSLDVHLAFNGPFPPDMTNRIMADIQKLLESQKYDMLLNLFLELLHVVKERNIDPDWRKKSPRVTAKSFDLQTVRKLLPKAKKKLGVNDFANALYALVNDLLHVDLRSLDVV 3CKJ Chain:A ((15-329)) GLRDTRPGDTWLADRSWNRPGWTVAELEAAKAGRTISVVLPALDEEDTIGSVIDSISPLVDGLVDELIVLDSGSTDDTEIRAVAAGARVVSREQALPEVPIRPGKGEALWRSLAASRGDIVVFVDSDLINPHPMFVPWLVGPLLTGDGVHLVKSFYRRPGRVTELVARPLLAALRPELGCILQPLGGEYAATRELLTSVPFAPG----YGVEIGLLVDTFDRLG---------------------------------------------LDAIAQVNLGVREHRN--------------------------------------------RPLAELGAMSRQVIATLLSRCGIPDSGVGLTQFVADGPEGQSYTQHTWPVSLAD--------RPPMQAIRPR----------------------------

General information: TITO was launched using: RESULT: Template: 3CKJ.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 : 1424 -100008 -70.23 -380.26 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -70.23 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.292

(partial model without unconserved sides chains): PDB file : Tito_3CKJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CKJ-query.scw PDB file : Tito_Scwrl_3CKJ.pdb: