Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTHSFAVPRSVEWKETAITILNQQKLPDETEYLELTTKEDVFDAIVTLKVRGAPAIGITAAFGLALAAKDIETDNVTEFRRRLEDIKQYLNSSRPTAINLSWALERLSHSVENAIS----VNEAKTNLVHEAIQIQVEDEETCRLIGQNALQLFKKGDRIMTICNAGSIATSRYGTALAPFYLAKQKDLGLHIYACETRPVLQGSRLTAWELMQGGIDVTLITDSMAAHTMKEKQISAVIVGADRIAKNGDTANKIGTYGLAILANAFDIPFFVAAPLSTFDTKVKCGADIPIEERDPEEVRQISGVRTAPSNVPVFNPAFDITPHDLISGIITEKGIMTGNYEEEIEQLFKGEKVH 3A11 Chain:E ((25-313)) ---------------------------------------EIAEKIKNMEIRGAGKIARSAAYALQLQAEKSKATNVDEFWKEMKQAAKILFETRPTAVSLPNALRYVMHRGKIAYSSGADLEQLRFVIINAAKEFIHNSEKALERIGEFGAKRIEDGDVIMTHCHSKA--------AISVMKTAWEQGKDIKVIVTETRPKWQG-KITAKELASYGIPVIYVVDSAARHYMK--MTDKVVMGADSITVNGAVINKIGTALIALTAKEHRVWTMIAAETYKFHPETMLG----IEMRDPTEVIPEDELKTWPKNIEVWNPAFDVTPPEYVDVIITERGII------------------

General information: TITO was launched using: RESULT: Template: 3A11.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1487 -171279 -115.18 -609.53 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain E : 0.74 3D Compatibility (PKB) : -115.18 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.481

(partial model without unconserved sides chains): PDB file : Tito_3A11.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A11-query.scw PDB file : Tito_Scwrl_3A11.pdb: