Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIEKMELGEFYKELRLARKLKQTDVACEGLTASQLSKFELGQSMLSADKLILAIQGINVTFDEFGHKLNNYQESPHMRIGRKVVNRFAHQDIAALEQLLEEVDQEQMAQTYRRLNAIVIKDAIHSLNKSYPLAEEDSEFLTTYLYAIESWTWFELYLFCNTMPFLSNQDLIFLSTSLLEKSKEFKELVHNRLYMKQGLLNILSELMERKLFSYIPIFEAELERMLRPYDVFEKVSWQFLKKMSVFLQTKGSNQKEIERFIQSLQVLENPQLTSLFELRFQQYKELID 4YV9 Chain:A ((5-164)) ------LGKTLRRLRQGKQVSISSL----LSKSQISRFERGESEISCSRLLNLLDKLNITIDEFV-ST-----THFFTLLSRVRKYYAEKNVAKLLKLLEDYAHKDYEST-------MIKAILSSIEPTVEPSEEEVTRLTDYLFSVEQWGYYEIILLGNCSRFI-NYNTLFLLT----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YV9.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 : 486 -80657 -165.96 -534.15 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -165.96 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.414

(partial model without unconserved sides chains): PDB file : Tito_4YV9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YV9-query.scw PDB file : Tito_Scwrl_4YV9.pdb: