Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSCKQLIVCSLAAILLLIPSVSFAADSNISVKLLNYIGNKSSISLSPTGFYKVTGDNVAVTDRFAGASRYETATLASNSQWKNPNTVILVNRDIFIDALPVIPLAKKLNAPVLFTQPDTLTKTTERQIAKFNPDNILIIGGARSISKDVENKLKSYGAVKRISGKNRYVLSENIAKQMGSYDKAIVVTGRVFQDALAIAPYAAAHGYPILLTEKDKLPDYDLPKQVIIIGSSFSVSDSVENQIKKTSTVQRIPGSTRYELTANIIKQLKLKADKVVMTNGTKYADVLIGASLASKKNSQILFVKQDSVPAAAKSITKDKATYAYDFIGSTSSISAEVENSLADEFYLADGGTYNLKINSGKLNLENIKTYGNSLRIKPENYSTSNRISLDGKQYLGTVNFSIESTKYIRPVNENIPFEDYLKGVIPNEMPASWSLEALKAQTVAARTYSITKT-------GTTVPDTTAFQVYGGYSW------------NSNTNKAVEQTKGKVLKYNGSLITAAYSSSNGGYTEASNEVWSSSVPYLIAKKDTKD---PQIGWTLTLSKQQLDTKSLDLTKPSSWWSSATETDSARLSGVKNWILKNKETSADSVKIASIDDLSFSGTTQGQRAKTASMKVKYFVKSSTGSYNLSKITTISVPTSELRTMIGATVFKSTYVTVKKDTSKYTISGKGYGHGIGMSQYGAKARAEAGDSYSSILKFYYPGTTLTSY 4RWR Chain:A ((63-328)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VYRE-KQKKVES-LPMEEYVTGVVASEMNASFEIEALKAQALAARTFVVQRMLSGGKKNNADVTDT--DQVYKSKEELKKQWGNNYENNLKKIEEAVSKTAGQVLTYEGKPISASFFSTSNGRTENAADYWGNDYPYLKSVDSPWDQASPKFTSEQIFTVADFQKR-LGVK---------------------------------VLADGKV--GDIKGRTEGKRVKDVAF------------------QGKTLTGRDVRDKLE---LRSSDFTWKQEGDKIVVTTKGFGHGVGMSQYGANGMAAEGKKYTDIVAHYYKGVEIKTM

General information: TITO was launched using: RESULT: Template: 4RWR.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 : 1155 21226 18.38 87.71 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 18.38 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.334

(partial model without unconserved sides chains): PDB file : Tito_4RWR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RWR-query.scw PDB file : Tito_Scwrl_4RWR.pdb: