Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNLLEASIEQAGYTSRKKVLTDVFLEVRKGELVGLIGANGAGKSTAIKAILGLSEDFKGHIAWNDCSF--------------AYIPEHPSFYEELTLWEHLDLIST-LHGIEESEFAHRAQSLLQTFSLDHVKHELPVTFSKGMQQKLMLIQAFLSKPDMYVIDEPFIGLDPISTKRFVDMLKAEKERGAGILMCTHVLDTAEKICDRFYMIEKGSLFLQGTLKDVQDKTGLEGQSLLDCFYKAVQGDRL 4YMS Chain:J ((15-223)) ------------------EVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEI------------------------

General information: TITO was launched using: RESULT: Template: 4YMS.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 : 915 -27553 -30.11 -142.02 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain J : 0.77 3D Compatibility (PKB) : -30.11 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.581

(partial model without unconserved sides chains): PDB file : Tito_4YMS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMS-query.scw PDB file : Tito_Scwrl_4YMS.pdb: