Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLRTEQLGFWYQDPQDALY--KDVELNFEAGKMYAILGASGSGKTTFLSLISGLDAPKEGKVYYQDRSLNKIG---LRSYRKNDVSIIFQAYNLLPYLSALDNVIAAMEITKTKQ----ENYRQVALDRLARVGIDEILAKKQVTKLSGGQQQRVAIVRAICCEHQLIVADEPTGNLDETTSQDIVKLFQEIAHEQNRCIIIVTHEIEVAKSCDEVFELKNKKFQKIEV 3TIF Chain:B ((1-227)) MVKLKNVTKTYKMGEEIIYALKNVNLNIKEGEFVSIMGPSGSGKSTMLNIIGCLDKPTEGEVYIDNIKTNDLDDDELTKIRRDKIGFVFQQFNLIPLLTALENVELPL-IFKYRGAMSGEERRKRALECLKMAELEERFANHKPNQLSGGQQQRVAIARALANNPPIILADQPTWALDSKTGEKIMQLLKKLNEEDGKTVVVVTHDINVARFGERIIYLKDGEVEREE-

General information: TITO was launched using: RESULT: Template: 3TIF.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 : 1130 32354 28.63 148.41 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.86 3D Compatibility (PKB) : 28.63 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.496

(partial model without unconserved sides chains): PDB file : Tito_3TIF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TIF-query.scw PDB file : Tito_Scwrl_3TIF.pdb: