Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKKEFKAESKRLLDMMINSIYTQKEIFLRELISNSSDAIDKIYYKALTDDALTFDKDSYYIKVAADKDARTLTISDTGIGMTKDELEQHLGTIAKSGSLAFKKENELKDGHDI--IGQFGVGFYAAFMVADVVTVISKALGSEEAYKWESAGADGYTIEPCE-KDSVGTDIILKIKENTEDDSYDEFLEEYRLKAIIKKYSDFIRYPIKMDTTINKPKEGSENEFEEVQEEQTVNSMVPIWRKNKSELTDEDYEKFYAEKHYGFDKPLTHVHISVDGAVRYNAILFVPENMPFDYY-SKEYEKGLELYSNGVLIMNKCADLLPDHFSFVKGMVDSEDLSLNISREMLQHDRQLKLIAKNISKKIKSELQSLLKKDREKYETFYKSFGRQLKFGVYNDFGANKDQLKDLLLFYSSKE-KKLVSLDEYVSRMPEEQKFIYYATGDSYDRIEKLPQTEMVADKGYEILYFTEDIDEFAIKMLASYQEKEFKSVSSGDLGIDTDEDQKQSEEEESKYKDLFEEMKNILSDKVKNVRISKRLKSHPVCLAADGEV--TIEMEKILNAMPDSQNVKAEKVLEINPNHEVFQTLQ----DAFEQDKEKLSLYTNLLYNQALLIEGLPIQDPVEFTNNICKVMV 2CG9 Chain:B ((7-672)) ----EFQAEITQLMSLIINTVYSNKEIFLRELISNASDALDKIRYKSLSDPKQLETEPDLFIRITPKPEQKVLEIRDSGIGMTKAELINNLGTIAKSGTKAFMEA--LSAGADVSMIGQFGVGFYSLFLVADRVQVISKS-NDDEQYIWESNAGGSFTVTLDEVNERIGRGTILRL--FLKDDQL-EYLEEKRIKEVIKRHSEFVAYPIQLVVTKEVEKE------EEVQEIEELNKTKPLWTRNPSDITQEEYNAFYKSISNDWEDPLYVKHFSVEGQLEFRAILFIPKRAPFDLFESKKKKNNIKLYVRRVFITDEAEDLIPEWLSFVKGVVDSEDLPLNLSREMLQQNKIMKVIRKNIVKKLIEAFNEI-AEDSEQFEKFYSAFSKNIKLGVHED-TQNRAALAKLLRYNSTKSVDELTSLTDYVTRMPEHQKNIYYITGESLKAVEKSPFLDALKAKNFEVLFLTDPIDEYAFTQLKEFEGKTLVDITKDFELEETDEEKAEREKEIKEYEPLTKALKEILGDQVEKVVVSYKLLDAPAAIRT-GQFGWSANMERIMKAQA--------KTFEISPKSPIIKELKKRVDEGGAQDKTVKDL-TKLLYETALLTSGFSLDEPTSFASRINRLI-

General information: TITO was launched using: RESULT: Template: 2CG9.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 : 2775 95333 34.35 159.69 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : 34.35 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.421

(partial model without unconserved sides chains): PDB file : Tito_2CG9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CG9-query.scw PDB file : Tito_Scwrl_2CG9.pdb: