Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQDTPLIIGSRSFQSRLLVGTGKYKDLNETDLAIQASGAEIVTVAIRRVNIGQNPDQPNLLSVIPPEKYTILPNTAGCFDADSAVRTCMLARA--LLDGHNLVKLEVLGDEKTLYPNVTETLKAARTLIDDGFEIMVYTSDDPIIAQELESMGCVAIMPLGSLIGSGLGILNPHTISIIKENAKVPVLVDAGVGTASDAAIAMELGCDGVLMNTAIAAAQNPILMASAMKKAVEAGREAFLAGRMPRKRMANASSPETGYFFK 1XM3 Chain:A ((4-252)) -----LTIGGKSFQSRLLLGTGKYPSFDIQKEAVAVSESDILTFAVRRMNIF--------LEQLDLSKYTLLPNTAGASTAEEAVRIARLAKASGLCD---MIKVEVIGCSRSLLPDPVETLKASEQLLEEGFIVLPYTSDDVVLARKLEELGVHAIMPGASPIGSGQGILNPLNLSFIIEQAKVPVIVDAGIGSPKDAAYAMELGADGVLLNTAVSGADDPVKMARAMKLAVEAGRLSYEAGRIPLKQYGTASSPGE-----

General information: TITO was launched using: RESULT: Template: 1XM3.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 : 1368 -59527 -43.51 -248.03 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -43.51 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.518

(partial model without unconserved sides chains): PDB file : Tito_1XM3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XM3-query.scw PDB file : Tito_Scwrl_1XM3.pdb: