Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------MKNKNIGCWL------LLAGSSSVCAMQPLDDQSLAAATGQNGLTLGIQADQVKFNQVALIDTNGIASTSYNSKA--GLIIAGNSTNPVPGIEFI---KAAVSTNPSFNIAIDTDAGGGNPFLNLAVTMGSDVNGIRLLPFSVYLAPSTSLPSPSDYALTSYAPKSIFS---SGTTVNTGVKELIRSTGNLD---------------INFVQTNKPRLNIQLGH------------------------AAQSVMVKFGGAIQSICSAASGCP--------ITLVSDNTGATFGFKFAGTNASTGFVLDGFYAGVDP----TGLTI--------GNIGVSSKFDASLNNVTLGNL--GTQSTTTFNNLPNGSM----GSFGVTGAS----VTDFKMKVSGF--- 4N0N Chain:A ((22-422)) SAVCTVCGAAPVAKSACGGWFCGNCVPYHAGHCHTTSLFANCGHDIMYRSTYCTMCEGSPKQMVPKVPHPILD-HLLCHIDYGSKEELTLVVADGRTTSPPGRYKVGHKVVAVVADVGGNIVF-----GCGPGSHIAVPLQDTLKGVVVNKALKNAAASEYVEGPPGSGKTFHLVKDVLAVVGSATLVVPTHASMLDCINKLKQAGADPYFVVPKYTVLDFPRPGSGNITVRLPQVGTSEGETFVDEVAYFSPVDLARILTQGRVKGYGDLNQLGCVGPASVPRNLWLRHFVSLEPLRVCHRFGAAVCDL-------IKGIYPYYEPAPHTTKVVFVPNPDFEKGVVITAYHKDRGLGHRTIDSIQGCTFPVVTLRLPTPQSLTRPRAVVAVTRASQELYIYDPFDQLSGLLKF

General information: TITO was launched using: RESULT: Template: 4N0N.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 : 1580 -32897 -20.82 -108.21 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -20.82 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.076

(partial model without unconserved sides chains): PDB file : Tito_4N0N.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4N0N-query.scw PDB file : Tito_Scwrl_4N0N.pdb: