Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------MKMLLVLFDKQGQILLCRNPSGYSVPTNGAEVDEGFGFGSPQEENRWF------WENCGLLVYRRYICFYKDYCAA-------VFELY-------------GEGNVGKEFIWMDSGSLDKFIVGNSLTVLLKA----VMKNYNC-SKTVSWVNKDGFQPY----------------LNWALKAAGSDTQLTYGKIEQIKNTYVS----TIFRFQA---GEEIFYLKIPGKTYLNDAVHIEKFLVNSTYGLPEITAVYPDGNAFLAKAM-------GGHDLS-VETDMVFLE-QVVEQWADMQQRFTEKQDAFSSKIPLLHNYT-----------AEGIMKRIDNFPSEVSDIFAFLNEQSNAVDAAKTGQMIR-EVKRLLSLLAKC------KVPDTLCHGDL----------RPGNIRVVNGFCFLYDWG------------------------MGMYGHPFYD----VVHFLHVTRRQLSQEMQEK---------IKNTYLKQWEMYGTG---------------KDILR--------NYETVERLKDFFMVLADA-----DWLMETIEAVGGKVPEGSM-----------------DSWLLMRRVYYFRRVL----GRFLAGDNN--------------------------------- 5EK8 Chain:A ((1-668)) MSTKTKTIFDEIKAALVLKVIDSPLGRKLIEEKAEKQVSKTQEAITKPIEQLNKATGQLLFSDTNKPLHNIELEVWDRDVGTPSDYLGKGVTDQNGRFEIYYDPEKAGFKDAPDLELRVIDNRVTFDSD--NQPVYTNRIAYIIKGGDNVTQKTYDFGTLTVPYWPYDPNSPFARIFMPNPEETPDDYSVGRKFQAYASANVLTPIKAKHTIANTLNPKEPSLTQIQADYPPNLTINLDREKPGYTRSDEYFVLRVLNGMNPCL-LKRSKSDPNQFKMSFIWDNYEKDTEHDLHNVEAYFVLKDGKLFPTMITIQSRYP---DSLAPHSPLKDREVYTPNDGEKWLQAKRIFRTAALFDGEAIEHYAKAHVQMEQYAVACFRNLRKNPIRLMLTPHLKSIININRRGDDLLVEPNLGLFVTNGPLTYPGFLQMCTEVVATYDWKDWQPRQPICDDHKYAKAANLYWQILTEYVDAFFAKHQQAIADEWVEIRRFSEDLVEHSMPYQPIEGIMANTDSDYEWYDTGELDKPDLPRATFNGKTKVIRPITNSNQPSATDIDNLKQCCRHIIFHTTLWHTWVNDSQSDEGGELAYNSLALRNGSFGSETDPNIAPDPIEATNQVYIFSVLNGIKYGLLVKNEDDDVPEELRTALLNRKDQFAELGIDIGNIRTLINI

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 : 1806 13468 7.46 30.26 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 7.46 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.049

(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: