Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIHIVQKGDSLWKIAEKYGVDVEEVKKLNTQLSNPDLIMPGMKIKVPSEGVPVRKEPKAGKSPAAGSVKQEHPYAKEKPKSVVDVEDTKPKEKKSMPYVPPMPNLQENVYPEADVNDYYDMKQLFQPWSPPKPEEPKKHHDGNMDHMYHMQDQFPQQEAMSNMENANYPNMPNMPKAPEVGGIEEENVHHTVPNMPMPAVQPYYHYPAHFVPCPVPVSPILPGSGLCYPYYPAQAYPMHPMHGYQPGFVSPQYDPGYENQHHENSHHGHYGSYGAPQYASPAYGSPYGHMPYGPYYGTPQVMGAYQPAAAHGYMPYKDHDDCGCDGDHQPYFSAPGHSGMGAYGSPNMPYGTANPNPNPYSAGVSMPMTNQPSVNQMFGRPEEENE 4S3J Chain:A ((54-102)) --NYYVQPGDSLYRISQTYNVPLASLAKVNN-LSLKSILHVGQQLYVPKG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4S3J.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 : 157 -20697 -131.83 -440.36 target 2D structure prediction score : 0.85 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -131.83 2D Compatibility (Sec. Struct. Predict.) : 0.85 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.746

(partial model without unconserved sides chains): PDB file : Tito_4S3J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4S3J-query.scw PDB file : Tito_Scwrl_4S3J.pdb: