Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAHDQELRRRAYEEVEKKEPIANSDPHRQHFHIMPPVGLLNDPNGVIYWKGSYHVFFQWQPFQTGHG-AKFWGHYTTQDVVNWKREEIALAPSDWFDKNGCYSGSAVTK-DDRLYLFYTGNVRDQDGNRETYQCLAVSDD-----GLSFEKKG--VVARLP--E-GYTAHFRDPKVWEH--EGTWYMVIGAQTENLKGQAVLFASDNLTEWRFLGPITGAGFNGLDDFGYMWECPDLFSLQ------------------GSDVLIVSPQGLEADGFRYQNVYQSGYFVGRLDYNKPELKHG-------EFTELDQGFDFYAPQTLEDD-QGRRILFAWMAVPDQDEGSHPTIDCHWIHCMTLPRQLTLS-GQ-KLIQQPLPELKAMRRNEKKI--HINMHGSSGALPV--EKPERTEILLE-DI----------------------------HTESGFSISIRGT------ATFSFHKDEGI---------VTLERKSFDG--KRT-E--ARHCRI--KDLHTVHMFLDASSVEIFINNGEEVLSARYFPFPG-NHEVTASATG----K-SEMNVGIWTLM 2AC1 Chain:A ((5-536)) ------------------------NQPYRTGFHFQPPKNWMNDPNGPMIYKGIYHLFYQWNPKGAVWGNI-VWAHSTSTDLINWDPHPPAIFPSAPFDINGCWSGSATILPNGKPVILYTGIDPK----NQQVQNIAEPKNLSDPYLREWKKSPLNPLMAPDAVNGINASSFRDPTTAWLGQDKKWRVIIGSKIH-RRGLAITYTSKDFLKWEKSPEPLHY-----DDGSGMWECPDFFPVTRFGSNGVETSSFGEPNEILKHVLKISLDD----------TKHDYYTIGTYDRVKDKFVPDNGFKMDGTAPRYDYG-KYYASKTFFDSAKNRRILWGWTNESSSV---EDDVEKGWSGIQTIPRKIWLDRSGKQLIQWPVREVERLRTKQVKNLRNKVLKS-GSRLEVYGVTAAQADVEVLFKVRDLEKADVIEPSWTDPQLICSKMNVSVKSGLGPFGLMVLASKNLEEYTSVYFRIFKARQNSNKYVVLMCSDQSRSSLKEDNDKTTYGAFVDINPHQPLSLRALIDHSVVESFGGKGRACITSRVYPKLAIGKSSHLFAFNYGYQSVDVLNLNAWSMN

General information: TITO was launched using: RESULT: Template: 2AC1.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 : 2259 33728 14.93 78.62 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 14.93 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.453

(partial model without unconserved sides chains): PDB file : Tito_2AC1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AC1-query.scw PDB file : Tito_Scwrl_2AC1.pdb: