Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----MEFVIGLLIVLLALFAAGYFFRKKIYAEIDRLESWKIEILNRSIVEEMSKIK-HLKMTGQTEEFFEKWREEWDEIVTAHMPKV------EELLYDAEENADKYRFKKA-NQVLVHIDDLLTAAESSIEKILREISDLVT----------------------------------SEEKSREEIEQVRERYSKSRKNLLA---YSHLYGELYDSLEKDLDEIWSG-----IKQFEEE----TEGGNYITARKV------LLEQ---DRNLERLQ----SYIDDVPKLLADCKQTVPG-------QIAKLKDGYGEMKEKGYKLEHIQLDKELENLSNQLKRAEHVLMTELDIDEASAILQLIDENIQSVYQQLEGEVEAGQSVLSKM--PEL--IIAYDKLKEEKEHTKAETELVK------ESYRLTAGEL---------------GKQQAFEKRLDEIGKLLSSVKDKLDAEHVAYSLLVEEVASIEKQIEEVKKEHAEYR--ENLQALRKEELQ------------ARETLSNLKKTISETARLLKTSNIPGIPSHIQEMLENAHHHIQETVNQLNELPLNMEEAGAHLK----------QAEDIVNRASRESEELVEQVILIEKI--IQFGNRFRSQN----HILSEQLKEAERRFYAFDYDDSYEIAAAAVEKAAPGAVEKIKADISA 5EK8 Chain:A ((1-668)) MSTKTKTIFDEIKAALVLKVIDSPLGRKLIEEKAEKQVSKTQEAITKPIEQLNKATGQLLFSDTNKPLHNIELEVWDRDVGTPSDYLGKGVTDQNGRFEIYYDPEKAGFKDAPDLELRVIDNRVTFDSDNQPVYTNRIAYIIKGGDNVTQKTYDFGTLTVPYWPYDPNSPFARIFMPNPEETPDDYSVGRKFQAYASANVLTPIKAKHTIANTLNPKEPSLTQIQADYPPNLTINLDREKPGYTRSDEYFVLRVLNGMNPCLLKRSKSDPNQFKMSFIWDNYEKDTEHDLHNVEAYFVLKDGKLFPTMITIQSRYPDSLAPHSPLKDREVYTP--NDGEKWLQAKRIFRTAALFD-GEAIEHYAKAHVQMEQYAVACFRNLRKNPIRLMLTPHLKSIININRRGDDLLVEPNLGLFVTNGPLTYPGFLQMCTEVVATYDWKDWQPRQPICDDHKYAKAANLYWQILTEYVDAFFAKH--QQAIADEWVEIRRFSEDLVEHSMPYQPIEGIMANTDSDYEWYDTGELDKPDLPRATFNGKTKVI----RPITNSNQPS-ATDIDNLKQCCRHIIFHTTLWHTWVNDSQSDEGGELAYNSLALRNGSFGSETDPNIAPDPIEATNQVYIFSVLNGIKYGLLVKNEDDDVPEELRTALLNRKDQFAELGID-----------------IGNIRTLINI

General information: TITO was launched using: RESULT: Template: 5EK8.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 : 2318 155615 67.13 290.87 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 67.13 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.167

(partial model without unconserved sides chains): PDB file : Tito_5EK8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5EK8-query.scw PDB file : Tito_Scwrl_5EK8.pdb: