Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMKEAVTVSNVTKHFQRKTAVNNISFSIEKGEIAAILGPNGAGKTTVVSMILGLLKPSEGEIKLFNR-----VPDDQQVREKIGVMLQEVSVMPGLKVDEILEL--FRSYYPNPLSMKELVSLTALTKEDLKTR-AEKLSGGQKRRLSFALALAGNPELLILDEPTVGMDTSSRHRFWQTIHGLSDQGK-TIIFSTHYLQEADDAAQRILFFTEGQLVADGSPMQIRSRIQKQSVSFTLHSSESLERLSCHPEVERVIHEHERTIIQTSNTDKVLALIFQENIHARDIRIEQATLDEAFRQLADGNREAM 1V43 Chain:A ((13-239)) -----VKLENLTKRFGNFTAVNKLNLTIKDGEFLVLLGPSGCGKTTTLRMIAGLEEPTEGRIYFGDRDVTYLPPKDRN----ISMVFQ------HMTVYENIAFPL-KKFPKDEIDKRVRWAAELLQIEELLNRYPAQLSGGQRQRVAVARAIVVEPDVLLMDEPLSNLDAKLRVAMRAEIKKLQQKLKVTTIYVTHDQVEAMTMGDRIAVMNRGQLLQIGSPTEVYLR---------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1V43.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 : 1046 -25733 -24.60 -126.14 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -24.60 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_1V43.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1V43-query.scw PDB file : Tito_Scwrl_1V43.pdb: