Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAELRMEHIYKFYDQKEPAVDDFNLHIADKEFIVFVGPSGCGKSTTLRMVAGLEEISKGDFYIEGKRVND----VAPKDRDIAMVFQNYALYPHMTVYDNIAFG-LKLRKMPKPEIKKRVEEAAKILGLEEYLHRKPKALSGGQRQRVALGRAIVRDAKVFLMDEPLSNLDAKLRVQMRAEIIKLHQRLQT---TTIYVTHDQTEALTMATRIVVMKDGKIQQIGTPKDVYEFPENVFVGGFIGSPAMNFFKGKLTDGLIKIGSAALTVPEGKMKVLREKGYIGKEVIFGIRPEDIHDELIVVESYKNSSIKAKINVAELLGSEIMIYSQIDNQDFIARIDARLDIQSGDELTVAFDMNKGHFFDSETEVRIR 4YMU Chain:A ((7-224)) --------VYKNFGSLE-VLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDP----EMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIF----------------------------------------------------------------------------------------------------------------------------------------------

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 A - contact count / total energy / energy per contact / energy per residue : 1043 -16362 -15.69 -77.91 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -15.69 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.507

(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: