Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLISWNIDSLNAALTSDSARAKLSQEVLQTLVAENADIIAIQETKLSAKGPTKKHVEILEELFPGYENTWRSSQEPARKGYAGTMFLYKKELTPTISFPEIGAPSTMDLEGRIITLEFDAFFVTQVYTPNAGDGLKRLEERQVWDAKYAEYLAELDKEKPVLATGDYNVAHNEIDLANPASNRRSPGFTDEERAGFTNLL-ATGFTDTFRHVHGDVPERYTWWAQRSKTSKINNTGWRIDYWLTSNRIADKVTKSDMIDSGARQDHTPIVLEIDL 4IEM Chain:B ((61-317)) LKICSWNVDGL---------RAWIKKKGLDWVKEEAPDILCLQETKCSE---NKLPAELQE--LPGLSHQYWSAPS-DKEGYSGVGLL-SRQCPLKVSY-GIGD-EEHDQEGRVIVAEFDSFVLVTAYVPNAGRGLVRLEYRQRWDEAFRKFLKGLASRKPLVLCGDLNVAHEEIDLRNPKGNKKNAGFTPQERQGFGELLQAVPLADSFRHLYPNTPYAYTFWTYMM-NARSKNVGWRLDYFLLSHSLLPALCDSKIRSKALGSDHCPITLYLAL

General information: TITO was launched using: RESULT: Template: 4IEM.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 : 1438 -80049 -55.67 -312.69 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -55.67 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.422

(partial model without unconserved sides chains): PDB file : Tito_4IEM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IEM-query.scw PDB file : Tito_Scwrl_4IEM.pdb: