Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MEKFVDDHHLKRKV---G-TLEMVVAMLLSGSIGLFVIKSGQSPINIVFFRCLISALCLIPICYFYGHFRKVYFGKKELFLMVTSGLLIIFNWVLLFAAFPKTSISLATIVYHVNPFVILFLGALVFHEKLNKNDVLWTIIAFIGLIVIIGLGSASVNSNELVGLGLVLIATT-LYSISVLITKKLSN-TPPLLIVFIQTLSGAIVMAPFISVFENPPIGQQWLFVVGLGVLHTAFLYYLMYSAIKKIPLNNIAILSFIYPISTIVIDYFFFDHVLTSTQVLGAGLILLGVLGVKLHWNIFAVKKVGIRN-------- 4O5P Chain:A ((3-813)) NFGFHIAPTHPVAGRLTYDSKKLSENILKQQSDERVFSRAQCCKAIHITLGFDGTNNNDKADGSSVSPSCSNVARLIHASIGSGDDINSRGIFKYYCPGVGTVFPDIKEFTPSNMGLIGAEGGENRINWGLVQLVDALFYTLLKSRLKLNDVQGLVEEMSTNWTVSTLTGGLLENGEKKRRAALEPKLKELEEKLRQRQNSGQKPHILAMRLYIYGFSRGAAEARAFANWLQELTRVSDADGRVEYRFAGLPISIEFLGLFDTVAAVGLPFAAGHMDWADDTMRLPDEALPEDCSFLKRCVHLVSCHEQRASFPLDSIRRRDMNGRRTGPSCYRKWTVEYAYPGVHSDVGGGYGVGNQGKAVGGSEFLLSQIALQHMYAEAFEAGAPLQVPEWRVMVPKIEAEFSVSEELATRFNAWQAQAKAGPLEEVIRRETALITAWRIDRYAGGLRNKAFFANVPPDMPEAQQKAWEALHKRRSREYAAAQQLPPMSAAEQAEWDRNVALIGGEDQLRDLRVEKQFDPPLDQRQLLGAAAEFAHDYKGDWGVLDDGMTVGGVIDLLLGGTVFLINEEDEAEEYSQIHRDGSARYHQL------FSAPDRVAPGQ--------------EKLVALFDEQVHDSRA---------PFTDYFRYRLVHFD--NESNKRLSVLATAGRVVGVGV---------------------MLASVGLSVKRRDPRMLLGGL--------------PEISAFD---------------------------------PLTGIALPM---------VGGAALDNLRAFTREPGDKVEQIGQLPPPPPLAVAAVQSPALQQVLLAQQTV

General information: TITO was launched using: RESULT: Template: 4O5P.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 : 599 -36495 -60.93 -186.20 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -60.93 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.040

(partial model without unconserved sides chains): PDB file : Tito_4O5P.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4O5P-query.scw PDB file : Tito_Scwrl_4O5P.pdb: