Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQAFDELLTVEQLSFSYEEDEKPVFQDISFELQKGECVLLLGPSGCGKSSLALCLNGLYPEACDGIQSGHVFLFQKPVTDAETSETITQHAGVV--FQDPDQQFCMLTVED----EIAFGLENLQ-------IPKEE-MTEKINAVLEKLRITHLKEKMISTLSGGQKQKVALACILAMEPELIILDEPTSLLDPFSAREFVHLMKDLQREKGFSLLVIEHQLDEWAPWIERTIVLDKSGKKALDGLTKNLFQHEAETLKKLGIAIPKVCHLQEKLSMPFTLSKEMLFKEPIPAGHVKKKKAPSGESVLEVSSLSFARGQQAIFKDISFSLREGSLTALVGPNGTGKSTLLSVLASLMKPQSGKILLYDQPLQKYKEKELRKRMGFVFQNPEHQFVTDTVYDELLFGQKANAETEKKAQHLLQRFGLAHLADHHPFAISQGQKRRLSVATMLMHDVKVLLLDEPTFGQDARTAAECMEMIQRIKAEGTAVLMITHDMELVSSYADSVLVLHDTGLAFDGSPAQLFSQETGLVQKAKLTLPLLYEWMAFQEEVRDEATVTSH 1G9X Chain:B ((26-226)) ---------------------------VSISVCKGDVTLIIGPNGSGKSTLINVITGFLKA-----DEGRVYFENKDITNKEPAEL--YHYGIVRTFQTPQPLKEMTVLENLLIGEINPGESPLNSLFYKKWIPKEEEMVEKAFKILEFLKLSHLYDRKAGELSGGQMKLVEIGRALMTNPKMIVMDEPIAGVAPGLAHDIFNHVLEL-KAKGITFLIIEHRLDIVLNYIDHLYVM-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1G9X.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 : 808 -123791 -153.21 -661.98 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : -153.21 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.441

(partial model without unconserved sides chains): PDB file : Tito_1G9X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1G9X-query.scw PDB file : Tito_Scwrl_1G9X.pdb: