Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSMFLDQVTIDVKAGKGGDGMVAFRREKYVPDGGPAGGDGGRGGDVILIVDEGLRTLMDFRFNRHFKAQPGENGMSKGMHGRGSEDTYVKVPQGTTVRDAETGALLGDLIENGQTLVVAKGGRGGRGNIRFASPRNPAPEIAENGEPGQERKIELELKVLADVGLVGFPSVGKSTLLSVISSARPKIGAYHFTTLVPNLGMVTTSDGRSFAAADLPGLIEGASQGVGLGTQFLRHIERTRVILHVIDMSGMEGRDPYEDYLAINKELSTYNLRLLERPQIIVANKMDMPDAQ-ENLVKFKEQLNKEKEDEFADDIPVFPISGVTRQGLDALLNATADLLEVTPEFPLYEEELEERNCTLWIQSRRS 1M2O Chain:B ((24-190)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------GKLLFLGLDNAGKTTLLHMLKNDRLA---TLQPTWHPTSEELAI-GNIKFTTFDLGG-------HIQARRLWKDYFPEVNGIVFLVDAADPERFDEARVELDALFN----IAELKDVPFVILGNKIDAPNAVSEAELRSALGLLNTTGIEGQRPVEVFMCSVVMRNGYLEAFQWLSQYI---------------------------

General information: TITO was launched using: RESULT: Template: 1M2O.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 : 818 -71762 -87.73 -440.26 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain B : 0.60 3D Compatibility (PKB) : -87.73 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.335

(partial model without unconserved sides chains): PDB file : Tito_1M2O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1M2O-query.scw PDB file : Tito_Scwrl_1M2O.pdb: