Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MENETDVIYIHPQKRIVSQKRKYFYLG----FTGVFFLFIGLLSNTPTDNWSGLLTILTSPSNLLTDYFALGGFGSAFINVGILTLLSVLLAYRHKVILNGPLFASILTVTGFSFFGKNLYNSISIILGVYLYAVFVNKPFSQYIMIGLFGSALSPVVSYITFGMRFPLLIGILLGNLAGIAIGLLLPPLAAQTLVFHRGFTLYNIGFTSGLIAMTFTAVLRLFSYSIVENTLVFNEYHFPLIWIIFGFFSLTVGIGFYYNSFRLLGIREIFDSSGKLTTDFIANSGIGAT-LINIGLV--GLMLSSYVLLVGGQLNGPVIGAILSAVGFSAFGCHLKNSFPILVGIFIASLFGTFHEITSTGMLVAAVFGTGLAPISGFYGSFYGVIAGVLHIALVHNVSTLHGGLNLYNSGFSTGFVAGILVPILDNFTAVRKEKKTLGKRIIKKNHR 4N5H Chain:X ((1-315)) MADEEAMLAKVQASWAQTAARDKARYADERVPEDVHWETEYRYEQSADPQQ------------------------------------TLNLYYPAKR--RNATMPTVIDIHGGGWF----YGDRNL-----------NRNYCRYLASQ----------GYAVMGMGYRLLPDV---DLRGQIQDIFASLRWLSHFGPQRGFDLDHVLLTGDSAGGHLASLVACIQQS-AELQELFGVSRVNF------NFTLVALVCPVAEPSKLPEAAGDMSDMAAFYLDKLSGGDQALVDHLNFSQVVKGLDLPPFMLI-GGQ-----------------------NDSFYLQSQALLKVFDANH-VTYTTKLWPASAGP--------------------HLKHVFNVQH-----------WEWPESIETNLEMLRTFDALSKQQDQAEENE------

General information: TITO was launched using: RESULT: Template: 4N5H.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 1751 -100843 -57.59 -327.41 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain X : 0.58 3D Compatibility (PKB) : -57.59 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.277

(partial model without unconserved sides chains): PDB file : Tito_4N5H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4N5H-query.scw PDB file : Tito_Scwrl_4N5H.pdb: