Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAIVELKNATKIVKNGFDEEKIILNDVSLEIFEQDFITILGGNGAGKSTLFNTIAGTISLTSGTIRILGEDVTKFSPEKRAKYLSRVFQDPKMGTAPRMTVAENLLIAKFRGEKRGLFPRRLASYKDKFQATIEKVGNGLEKHLNTPIEFLSGGQRQALSLLMATLKRPELLLLDEHTAALDPKTSVALMELTDEFVKKDQLTALMITHHMEDALKYGNRLIVMKEGRVIQDLKQEEKAKMKISDYYQLFE 2AWN Chain:B ((3-224)) ---SVQLQNVTKAWG-----EVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTP--PAERGVGMVFQSYA--LYPHLSVAENMSFGLKLAGAK---K---EVINQRVNQVAEVL--QLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHY----------

General information: TITO was launched using: RESULT: Template: 2AWN.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 : 1140 -145312 -127.47 -654.56 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -127.47 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_2AWN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AWN-query.scw PDB file : Tito_Scwrl_2AWN.pdb: