Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIKAQIGMVMNLDKCIGCHTCSVTCKNTWTNRSGAEYMYFNNVETKPGIGYPKQWEDQDKYKGGWTLKKGKLELKSGSKTNRLAGLFYNPNQPSIDDYYEPWNYDYETLTNSPQ-KKHQPVARPKSSLTGDFMNIEWGPNWEDDLAGGHITGLEDPNVQKMEESIKTEFDDVFMMYLPRICEHCINPACVSSCPSGAMYKREEDGIVLVDQNACRSWRYCVSSCPYKKVYFNWQTNKAEKCTLCFPRLEAGLPTICSETCVGRIRYLGVMLYDADKVEEAASVENEKDLYHSQLDVFLDPNDPEVAKLAKEQGIPAEWIEAAQQSPIYKMIIDWKIALPLHPEYRTLPMVWYIPPLSPIMNLFEGKGSRQTAEDIFPAIDQMRIPIDYLAQLLTAGDTDHIRSTLKKMSVMRQYMRAVQTNKSIDPELISSVGLTEQQIEDMYRLLAIAKYDDRFVIPSSHREEVSDLYAEQGSCGLSFSGGPGSCF 4YDD Chain:B ((8-310)) --PRRQLTYVTDLNKCIGCQTCTVACKKLWTTGPGQDFMYWRNVETAPGLGYPRNWQTK---GGGYK--NGELQ---------------KGKIPPMIDYGIPFEFDYAGRLFEGKPGRVRPSPTP-----------RSAPNWDEDQGAGE-------------------YPNNSFFYLPRMCNHCTKPACLEACPNEAIYKREQDGIVVIHQDKCKGAQACVQSCPYAKPYFNPLTNKANKCIGCFPRIEQGVAPACVAQCVGRAMHVGFV------------------------------DDV--------------------NSSVYKLIKQYKVALPLHPEFGTEPNVFYVPPVLGPRIEMA---------NGEPS-TDPKIPLAQLEGLFGKQ----VRDVLAILQSEREKKMKG---------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YDD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1545 -78874 -51.05 -261.17 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -51.05 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.338

(partial model without unconserved sides chains): PDB file : Tito_4YDD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YDD-query.scw PDB file : Tito_Scwrl_4YDD.pdb: