Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSCKQLIVCSLAAILLLIPSVSFAADSNISVKLLNYIGNKSSISLSPTGFYKVTGDNVAVTDRFAGASRYETATLASNSQWKNPNTVILVNRDIFIDA----LPVIPLAKKLNAPVLFTQPDTLTKTTERQIAKFNPDNILIIGGARSISKDVENKLKSYGAVKRISGKNRYVLSENIAKQMGSYDKAIVVTG-----RVFQDALAIAPYAAAHGYPILLTEKDKLPDYDLPKQVIIIGSSFSVSDSVENQIKKTSTVQRIPGSTRYELTANIIKQLKLKADKVVMTNGTKYADVLIGASLASKKNSQILFVKQDSVPAAAKSITKDKATYAYDFIGSTSSISAEVENSLADEFYLADGGTYNLKINSGKLNLENIKTYGNSLRIKPENYSTSNRISLDGKQYLGTVNFSIESTKYIRPVNENIPFEDYLKGVIPNEMPASWSLEALKAQTVAARTYSITKTGTTVPDTTAFQVYGGYSWNSNTNKAVEQTKGKVLKYNGSLITAAYSSSNGGYTEASNEVWSSSVPYLIAKKDTKDPQIGWTLTLSKQQLDTKSLDLTKPSSWWSSATETDSARLSGVKNWILKNKETSADSVKIASIDDLSFSGTTQGQRAKTASMKVKYFVKSSTGSYNLSKITTISVPTSELRTMIGATVFKSTYVTVKKDTSKYTISGKGYGHGIGMSQYGAKARAEAGDSYSSILKFYYPGTTLTSY 4R1D Chain:A ((45-561)) QTA---------PLPVIFIPGI-------MGTNLRNK-ADKSEVWRPPNGLWPMDDLFASIGALWTWAWRGPKARQELLKAEQ-----VEVDDQGTIDVGQSGLSEEAARLRGWGKVMRSAYNPVMGLMERRLDNIVSRRELQAWWNDEALSPPGDQGEEQGKVGPID--------EEELLRASRYQFDVWCAGYNWLQSNRQSALDVRDYIENTVLPFYQKECGLDPEQMRRMKVILVTHSM--GGLVARALTQLHGYERVLGVVHGVQPAT--------------GSSTIYHHMRCG----YEGIAQVVLGRN-----------------AGEVTAIVANSAGALELAPSAEYR--EGRPWLFLCDAQGQVLKDIDG-------KPRAYPQNQ------------------------DPYEEIYKNTTWYGLVPEQNSQYLDMSDKKEGL-----------------------------RVGPRDNFEDLIDSIANFHGELSAAGYHSETYAHYGADDS--RHSWRDLIWKGDPTPLE-----TPGATLNDDENGTY---NSWFRR----------GLPTIVQGPLETGNPLDASGSGGDETVP-TDSGQAPALAGVKASFRHGSKGKGQANTK--------------------------------------RGYEHQESYND----ARAQWAALYG-VIKIT----QLADW

General information: TITO was launched using: RESULT: Template: 4R1D.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 : 3108 154315 49.65 303.77 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 49.65 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.143

(partial model without unconserved sides chains): PDB file : Tito_4R1D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R1D-query.scw PDB file : Tito_Scwrl_4R1D.pdb: