Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVGISHNQDFFYMKKLISLFLSVSVVLLAACGKRQSEPQNGKDSAQLQTVVIASTGSDADIWRYIATLPETKAAGLKLEVKNFTDYVAMNTATANKEVDLNAFQSYAYLVAFNASNKDKIAPVATTYLEPMGIYSSKYKKVDEFPQGASIAIPNDAANEARALLLLQSAGLIKLKADFDPAKGTPSDITDNSKKIDIKPIQMATAVRVKDEVDAIFLGNTLAMEGGLNVLKDSIYYEPVD-QSTKLNVNILATAESRKDDPVLQKVGQLYHTEAVKKYVEQHFGGTKVDVNQPISYLTQAK 4IB2 Chain:B ((15-246)) --------------------------------------------------VAASATPHAEILEQAKSI--LKKEGYQLEVTVFDDYVQPNEVVESGEFDANYFQHVPYLESFNEEKGTHLVDAGDIHYEPFGIYPGTKKSLDEISEGDKIAVPNDTTNEARALLLLQDNGIITLK-DGAGLNATVNDIEENPYNVEIVELEAAQVARVTGETAYVVLNGNYALEAGYSVAKDALAYEKSDSEAAKTYVNIIAVKEGNEKEEKIQALVKALKSDEIKEYIEKTYDG----------------

General information: TITO was launched using: RESULT: Template: 4IB2.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 : 1238 -71109 -57.44 -307.83 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -57.44 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.520

(partial model without unconserved sides chains): PDB file : Tito_4IB2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IB2-query.scw PDB file : Tito_Scwrl_4IB2.pdb: