Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRSVLQPSQQKL---AEKLTILNDRGVGMLTRLYNIKKACGDPKAKPSYLIDKNLESAVKFIVRKFPAVETRNNNQQLAQLQKEKSEILKNLALYYFTFVDVMEFKDHVCELLNTIDVCQVFFDITVNFDLTKNYLDLIITYTTLMILLSRIEERKAIIGLYNYAHEMTHGASDREYPRLGQMIVDYENPLKKMMEEFVPHSKSLSDALISLQMVYPRRNLSADQWRNAQLLSLISAPSTMLNPAQSDTMPCEYLSLDAMEKWIIFGFILCHGILNTDATALNLWKLALQSSSCLSLFRDEVFHIHKAAEDLFVNIRGYNKRINDIRECKEAAVSHAGSMHRERRKFLRSALKELATVLSDQPGLLG---PKALFVFMALSFARDEIIWLLRHADNMPKKSADDFIDKHIAELIFYMEELRAHVRKYGPVMQRYYVQYLSGFDAVVLNELVQNLSVCPEDESIIMSSFVNTMTSLSVKQVEDGEVFDFR-GMRLDWFRLQAYTSVSKASLGLADHRELGKMMNTIIFHTKMVDSLVEMLVETSDLSIFCFYSRAFEKMFQQCLELPSQSRYSIAFPLLCTHFMSCTHELCPEERHHIGDRSLSLCNMFLDEMAKQARNLI--TDICTEQCTLSDQLLPKHCAKTISQAVNKKSKKQTGKKGEPEREKPGVESMRKNRLVVTNLDKLHTALSELCFSINYVPNMVVWEHTFTPREYLTSHLEIRFTKSIVGMTMYNQATQEIAKPSELLTSVRAYMTVLQSIENYVQIDITRVFNNVLLQQTQHLDSHGEPTITSLYTNWYLETLLRQVSNGHIAYF-PAMKAFVNLPTENELTFNAEEYSDISEMRSLSELLGPYGMKFLSESLMWHISSQVAELKKLVVENVDVLTQMRTSFDKPDQMAALFKRLSSVDSVLKRMTIIGVILSFRSLAQEALRDVLSYHIPFLVSSIEDFKDHIPRETDMKVAMNVYELSSAAGLPCEIDPALVVALSSQKSENISPEEEYKIACLLMVFVAVSLPTLASNVMSQYSPAIEGHCNNIHCLAKAINQIAAALFTIHKGSIEDRLKEFLALASSSLLKIGQETDKTTTRNRESVYLLLDMIVQESPFLTMDLLESCFPYVLLRNAYHAVYKQSVTSSA 5IM3 Chain:A ((32-912)) --LRVIKRNGTVVPYTDDKITVAITKAFLAVE----------GGTAAASSRIHDTVRRLTEQVTATFKRRMPSGGTIHIEEIQDQVELALMRAG-------------------------------------------EQKVARDYVIYREARAAERKNAGAASDVAQP---HPSIRITRADGSLSPLDMGRLNTIISEACEGLAEVDGALIERETLK---NLYDGVAEKDVNTALVMTARTLVEREPNYSYVTARLLMDTLRAEALGFL--------GVAESATHHEMAELYAKALPAY------IEKGAEFELVD--------AKLKEFDLEKLGKAIDHERDQQ-FTYLGLQTLYDRYFIHKDGIRFELPQIFFMRVAMGLAIEE--------------------KDREARAIEFYNLLSSF---------DYMSSTPTLFNA---GTLRPQLS------SCYLTTVPDDLSGIYGAIHDNAMLSKFAGGLGNDWTPVRALGSYIKGTNGKSQG---------------VVPFLKVVNDTAVAVNAVCAYLETWHLDIEEFLELRKNTGD----DRRRTHDMNTANWIP---------------DLFMKRVFDDGSWTLFSPSDVPDLHDLYGKAFEERYEYYEALASYGKLKLHKVVQAKDLWRKMLSMLFETGHPWLTFKDPCNLRSPQQHVGVVHSSNLCT-EITLN-----TNKDEIAVC-NLGSINLVNHIVDGKLDTAKLEKTVK---TAVRMLDNVIDINYYSV--------PQAQNSNFKHRPVGLGIMGFQDALYLQ----HIPYGSDAAIAFADQSMEAISYYAIQASCDLADER------GAY--QTFQGSL-W-------SQGILPIDSEKKLIEERGA------------KYIEVD--------LSETLDWAPLRERVQKGIRNSNIMAIAPTATIANITGVSQSIEPTYQNLYVKSNLSGEFTVINPYLVRDLKAR---------------------------------GLWDPVMVNDLKYYDGSVQQIERIPQDLKDLYATAFEVETRWIVEAASRRQKWIDQ-------------AQSLNLYIAGA---SGKKLDVTYRMAWFR-GLKTTYYLRALAAT

General information: TITO was launched using: RESULT: Template: 5IM3.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 : 4708 -18501 -3.93 -21.41 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -3.93 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.219

(partial model without unconserved sides chains): PDB file : Tito_5IM3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5IM3-query.scw PDB file : Tito_Scwrl_5IM3.pdb: