Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQAFDELLTVEQLSFSYEED---EKPVFQDISFELQKGECVLLLGPSGCGKSSLALCLNGLYPEACDGIQSGHVFLFQKPVTDAETS-ETITQHAGVVFQDPDQQFCMLTVEDEIAFGLENLQIPKEEMTEKINAVLEKLRIT-HLKEKMISTLSGGQKQKVALACILAMEPELIILDEPTSLLDPFSAREFVHLMKDLQREKGFSLLVIEHQLDEWAPWIERTIVLDKSGKKALDGLTKNLFQHEAETLKKLGIAIPKVCHLQEKLSMPFTLSKEMLFKEPIPAGHVKKKKAPSGESVLEVSSLSFARGQQAIFKDISFSLREGSLTALVGPNGTGKSTLLSVLASLMKPQSGKILLYDQPLQKYKEKELRKRMGFVFQNPEHQFVTDTVYDELLFGQKANAETEKKAQHLLQRFGLAHLADHHPFAISQGQKRRLSVATMLMHDVKVLLLDEPTFGQDARTAAECMEMIQRIKAEGTAVLMITHDMELVSSYADSVLVLHDTGLAFDGSPAQLFSQETGLVQKAKLTLPLLYEWMAFQEEVRDEATVTSH 4MKI Chain:B ((7-259)) -------IKVENVSFIYNEGTPYATVALKDINFSIDDEEFVGIIGHTGSGKSTLIQQLNGLLKPS-----KGKIYINGIDITDKKVSLKDIRKQVGLVFQYPEYQLFEETVFKDIAFGPSNLGLSEEEVKERVYEAMEIVGISKELADKSPFELSGGQKRRVAIAGILAMRPKILILDEPTAGLDPKGKQEILNKIKEIHDKYKMITILVSHNMEDIARIADKIIVMNR-GKIELIGTPREVFR-EAERLEKIGLSVPQITSLAREL---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4MKI.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 : 1253 -153342 -122.38 -618.31 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -122.38 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.551

(partial model without unconserved sides chains): PDB file : Tito_4MKI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MKI-query.scw PDB file : Tito_Scwrl_4MKI.pdb: