Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKLAADQLTLSYDSTVIIDGVDLKIEEGKITALIGANGCGKSTILKSLARLMAPKSGTVLLEGKDIH--RQPSKEVAKKLAILPQSPQAPEGLTVEELCYFGRHPHKKLLSKHTQEDHDMVEWALEATGMIELKDRTLDALSGGQRQRAWISMALAQGTDLLLLDEPTTYLDISHQIEVLELLKKLNRDHGRTVVMVLHDLNQAAQYADYLISVLDGKIYNAGTPEDVFTQPFFREVFGLECCIMRSPIDQKPMCLPTGLCPKLRAK 4YMU Chain:J ((10-224)) -----------NFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEE---LAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQL-ANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIF--------------------------------------

General information: TITO was launched using: RESULT: Template: 4YMU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 1053 -136925 -130.03 -642.84 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain J : 0.72 3D Compatibility (PKB) : -130.03 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.469

(partial model without unconserved sides chains): PDB file : Tito_4YMU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMU-query.scw PDB file : Tito_Scwrl_4YMU.pdb: