Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATGKEKNAKNPMSLLIVLMAGLFLAILNQTLLNVAMPHLMTEFGVSATTIQWLTTGYMLVNGVLIPLSAFLITRFGQRSLFLVAMFCFTLGTLVCGIAP----NFSTMLIGRLIQAVGGGILQPLVMTTILLIFPPESRGKGMGIFGLAMMFAPAVGPTLSGWIIE-HYTWRIMFYGLVPIGAIVIIVAFFIFKNMVEPQKIKLDTLGAILSIVGFASLLYGVSEAGSDGWTDPIVLSTVIIGAIAIVAFVVQQLRHDDPMLDFRVFKYDIFSLSSVINIIITVALYTGMFLLPIYLQNLVGFTALQSGLLLLPGAIVMLIMSPISGILFDKFGPRPLAIIGLLV---TVVTTYQYTQLTIDTPYTHIMLIYSIRAFGMSLLMMPVMTAGMNQLPARLNSHGTAMSNTLRQISGS-IGTSLITTIYTNRTTFHYSQIADKTSTADPNFLHAFQNAVSNLMVNMNVSYDTAKTYVYSHIYKHASLDSNVMGINDAFMWATLFCVAGLILSIFLRDVRKDKLRKKKKEELSLLPAPKEAKES 1PW4 Chain:A ((25-408)) ---------RLRWQIFLGIFFGYAAYYLVRKNFALAMPYL-VEQGFSRGDLGFALSGISIAYGFSKFIMGSVSDRSNPRVFLPAGLILAAAVMLFMGFVPWATSSIAVMFVLLFLCGWFQGMGWPPCGRTMVHWWSQKERGGIVSVWNCAHNVGGGIPPLLFLLGMAWFNDWHAALYMPAFCAILVALFAFAMMRDTPQSCGLPPIEEYKN-----------D---------------------------------TAKQ-IFMQYVLPNKLLWYIAIANVFVYLLRYGILDWSPTYLKEVKHFALDKSSWAYFLYEYAGIPGTLLCGWMSDKVFRGNRGATGVFFMTLVTIATIVYWM-NPAGNPTVDMICMIVIGFLIYGPVMLIGLHALELAPKKAAGTAAGFTGLFGYLGGSVAASAIVGYTV------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1PW4.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 : 1766 -293743 -166.33 -811.44 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -166.33 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.236

(partial model without unconserved sides chains): PDB file : Tito_1PW4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PW4-query.scw PDB file : Tito_Scwrl_1PW4.pdb: