Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MEWNKTKSIFIVAFL------ILDIFLGYQFFQ-KWQAT---------GKEYEVI--KNDVEHDMKADHITYEGLNKEATEGYR-------ITANQKSFSKEEIEALKDQKPLMDMPSDDHKVTSLKMKFANPIALSKKDIEDDAQALVSSKIQDG-------EKYKLWK----------VDKSKKEIIFFQTY-EGHYIYQKTDNPSNMIGQVVLHLNGKNEVVSYDQTTLETFK---QIQKESLITEMDAVELLYYQNQLKE----YSTVK-SCKF-GYVAQYPLTSTQVLAPV-----WRITVEYEKKVNGEKKTVQEYFTVNALESTILDTDQ 4LK4 Chain:A ((32-372)) RIINGSNANSAEWPSIVALVKRGADAYQGQFCGGSFLGGRYVLTAAHCFDSRSAASVDVIIGAYDLNNSSQGERIAAQKIYRHLSYSPSNLLNDIAIVELAQTSSLPAITLAGPATRTSLPALTPLTVAGWGITF-TPI-LQEVDVDLVSQSLCQIVMQHGISSDPNSTNFCAARLTQGDAGGPIVVKTGREQLGIVSWGDEQGTYGVYTNVSYFRDWITKHTNQ----LSYDQVANLGIRPLGKVSQSFTYTNLDANALTYTGNTFSSLPADFSVLSDGCSTKVTLATGESCSVEVAVDAQHYRQYQYDFELIFSYAGGSKRATSRIQLDT----------

General information: TITO was launched using: RESULT: Template: 4LK4.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 : 1491 49476 33.18 187.41 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 33.18 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.179

(partial model without unconserved sides chains): PDB file : Tito_4LK4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LK4-query.scw PDB file : Tito_Scwrl_4LK4.pdb: