Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKRYTCQNGVRIVLENNPTVRSVAIGVWIGTGSRHETPEINGISHFLEHMFFKGTSTKSAREIAESFDRIGGQVNAFTSKEYTCYYAKVLDEHANYALDVLADMFFHSTFDENELKKEKNVVYEEIKMYEDAPDDIVHDLLSKATYGNHSLGYPILGTEETLASFNGDSLRQYMHDYYTPDRVVISVAGNIS-DSFIKDVEKWFG----SYEAKGKATGLEKPEFHTEKLTRKKE-TEQAHLCLGFKGLEVGHERIYDLIVLNNVL--------GGSMSSRLFQDVREDKGLAYSVYSYHSSYEDSGMLTIYGGTGANQLQQLSETIQETLATLKRDGITSKELENSKEQMKGSLMLSLESTNSKMSRNGKNELLLGKHKTLDEIINELNAVNLERVNGL-ARQLFTEDYALALISPSGNMPS 2BCC Chain:A ((21-432)) --------NGVRVASEQS-SQPTCTVGVWIDAGSRYESEKNNGAGYFLEHLAFKGTKNRPQNALEKEVESMGAHLNAYSSREHTAYYIKALSKDVPKAVELLADIVQNCSLEDSQIEKERDVIVRELQENDTSMREVVFNYLHATAFQGTGLAQSVEGPSENIRKLSRADLTEYLSTHYTAPRMVLAAAGGVEHQQLLELAQKHFGGVPFTYDDDAVPT-LSKCRFTGSQIRHREDGLPLAHVAIAVEGPGWAHPDLVALQVANAIIGHYDRTYGGGLHSSSPLASIAVTNKLCQSFQTFSICYSETGLFGFYFVCDRMSIDDMMFVLQGQWMRLC-TSISESEVLRGKNFLRNALVSHLDGTTPVCEDIGRELLTYGRRIPLEEWEERLAEVDARMVREVCSKYIYDQCPAVAGPGPIEQLP-

General information: TITO was launched using: RESULT: Template: 2BCC.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 : 2181 -184630 -84.65 -465.06 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -84.65 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.485

(partial model without unconserved sides chains): PDB file : Tito_2BCC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BCC-query.scw PDB file : Tito_Scwrl_2BCC.pdb: