Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------MDLLLALLPALFWGSIVLFNVKLG-----GGPYSQTLGTTIGALIVSIVI-YFFVQPVLSLR--IFIVGIVSGLFWSLGQANQLKSIQLMGVSKTMP-ISTGMQLVSTS--------LF--GVIVFREWSTPI--------------------AITLGVLALIFIIVG---IILTSLEDKNDKKEGEPSNLKK-GILILL-------VSTLGYLVYVVVARLFNVSGWSALLPQAIGMVVGGLVLTYRHKPFNKYAIRNILPGLIWAGG-------NMFLFIS--QPRVGVATSFSLSQMGIVISTLGGIFILREKKTKRQLIAIAIGIILIIAAAVFLGIAKTNS--------------------------------------------- 4J1Q Chain:A ((20-445)) HMERLMLEPVWEKQNEELSYTEHIIVLFETERSVTDSIASHMKDARVITLNEAVGHIAERYQCYMQNIFELLQSKVRKLSAGRIIIQAIVPLEKEKQLFAGVSGLFKTAEIEFSKLTAQVIEIEKPEEMIDLHLKLKDDSRRPFDKQIRYEAGYRFVKGWREMVDTLHMPWRDEGVYLITGGAGSLGLLFAKEIANRTGRSTIVLTGRSVLSEDKENELEALRSIGAEVVYREADVSDQHAVRHLLEEIKERYGTLNG----IIHGAGSSKDRFIIHKTNEEFQEVL-QPKVSGLLHVDECSKDFPLDFFIFFSSVSGCLGNAGQADYAAANSFMDAFAEYRRSLAASKKRFGSTISFNWPLWEEGGMQVGAEDEKRMLKTTGMVPMPTDSGLKAFYQGIVSDKPQVFVMEGQLQKMKQKLL

General information: TITO was launched using: RESULT: Template: 4J1Q.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 : 1181 -161174 -136.47 -571.54 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -136.47 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.218

(partial model without unconserved sides chains): PDB file : Tito_4J1Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4J1Q-query.scw PDB file : Tito_Scwrl_4J1Q.pdb: