Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQKGRGLEILINEKQDGQWLFSVLKTALKASKPVIQDWMSHQQIKVNHESVL-NNMIVKKGDRVFIDLQESEASSVIPEYGELDILFEDNHMLIINKPAGIATHPNEDGQTGTLANLIAYHYQINGETCKVRHVHRLDQDTSGAIVFAKHRLAHAILDQQLEKKTLKRTYTAIAEGKLRTKKGTINSPIGRDRSHPTRRRVSPGGQTAVTHFKVMASNAKERLSLVELELETGRTHQIRVHLASLGHPLTGDSLYGGGSKLLNRQALHANKVQAVHPITDELIVAEAPFPADMKNLCRTYFS 1KSK Chain:A ((2-210)) ----------------SHMRLDKFIAQQLGVSRAIAGREIRGNRVTVDGEIVRNAAFKLLPEHDVAYDGNP------------LAQ-QHGPRYFMLNKPQGYVCSTDDPD-HPTVLYFLDEPVA-----WKLHAAGRLDIDTTGLVLMTDDGQWSHRITSP--RHHCEKTYLVTLESPVAD--DTAEQFAKGVQLH----NEKDLTKPAVLEVI--------TPTQVRLTISEGRYHQVKRMFAAVGNHVVELHRERIGG-------------------------------------------

General information: TITO was launched using: RESULT: Template: 1KSK.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 : 862 -82245 -95.41 -395.41 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -95.41 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.275

(partial model without unconserved sides chains): PDB file : Tito_1KSK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KSK-query.scw PDB file : Tito_Scwrl_1KSK.pdb: