Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEAVIVSGARTPVGKAK-KGSLATVRPDDLGAICVKETLKRAGGYEGNIDDLIIGCATPEAEQGLNMARNIGALAGLPYTVPAITVNRYCSSGLQSIAYAAEKIMLGAYDTAIAGGAESMSQVPMMGHVTR-P-NLALAEKAPEYYMSMGHTAEQVAKKYGVSREDQDAFAVRSHQNAAKALAEGKFKDEIVPVEVTVTEIGEDHKPMEKQFVFSQDEGVRPQTTADILSTLRPAFSVDGTVTAGNSSQTSDGAAAVMLMDREKADALGLAPLVKFRSFAVGGVPPEVMGIGPVEAIPRALKLAGLQLQDIGLFELNEAFASQAIQVIRELGIDEEKVNVNGGAIALGHPLGCTGTKLTLSLIHEMKRRNE-QFGVVTMCIGGGMGAAGVFELC 2IIK Chain:A ((36-422)) -ADVVVVHGRRTAICR-AGRGGFKDTTPDELLSAVMTAVLKDVNLRPEQLGDICVGNVLQPGA-GAIMARIAQFLSDIPETVPLSTVNRQCSSGLQAVASIAGGIRNGSYDIGMACGVESMSLAD----GNITSRLMEKE-KARDCLIPMGITSENVAERFGISREKQDTFALASQQKAARAQSKGCFQAEIVPVTTTVHD----DKGTKRSITVTQDEGIRPSTTMEGLAKLKPAFKKDGSTTAGNSSQVSDGAAAILLARRSKAEELGLPILGVLRSYAVVGVPPDIMGIGPAYAIPVALQKAGLTVSDVDIFEINEAFASQAAYCVEKLRLPPEKVNPLGGAVALGHPLGCTGARQVITLLNELKRRGKRAYGVVSMCIGTGMGAAAVFEY-

General information: TITO was launched using: RESULT: Template: 2IIK.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 : 2521 -21176 -8.40 -56.02 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -8.40 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.487

(partial model without unconserved sides chains): PDB file : Tito_2IIK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IIK-query.scw PDB file : Tito_Scwrl_2IIK.pdb: