Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELLIQPGKLTLADLRQAYLNPIKVKLD--ESASSAINTSVACVEQIVNEGRTAYGINTGFGLLASTKIAPEDLEKLQRSLVLSHAAGVGEALDDAMVRLIILLKANSLARGFSGIRRKVIDALLALINAEVYPHIPLKGSVGASGDLAPLAHMSLVLLGESK---ARYKGEWLPAVEALKIAGLEPISLAAKEGLALLNGTQVSTAYALRGLFEAEDLFAAATVCGGLSVEAMLGSRAPFDARIHEVRGQRGQIDVAAAYRDLLTDSSEISRSHE---ECGKVQDPYSLRCQPQVMGACLTQIRQAAEVLEIEANAVSDNPLVFAEQGDVISGGNFHAEPVAMAADNLALAIAEIGSLSERRISMMMDRHMS-QLPPFLVAN--GGVNSGFMIAQVTAAALASDNKALAHPASVDSLPT--SANQEDHVSMAPNAGKRLWYMADNVCGILAVEWLGACQGLDFREG---------LKSSPKLEQARKILRDQVPY-YSEDRFF---------APDIEQ-ASELLASGCLNELLIPKLLPSLSEV 2NYN Chain:B ((25-563)) -NVIIGNQKLTINDVARVARNGTLVSLTNNTDILQGIQASCDYINNAVESG-----------------ISREQASELQTNLVWFLKTGAGNKLPLADVRAAMLLRANSHMRGASGIRLELIKRMEIFLNAGVTPYVYEFGSIG---DLVPLSYITGSLIGLDPSFKVDFNGKEMDAPTALRQLNLSPLTLLPKEGLAMMNGTSVMTGIAANCVYDTQILTAIAMGVHALDIQALNGTNQSFHPFIHNSKPHPGQLWAADQMISLLAN-SQLVRDELDGK----IQDRYSLRCLPQYLGPIVDGISQIAKQIEIEINSVTDNPLIDVDNQASYHGGNFLGQYVGMGMDHLRYYIGLLAKHLDVQIALLASPEFSNGLPPSLLGNRERKVNMGLKGLQICGNSIMPLLTFYGNSI-ADRFPTHAEQFNQNINSQGYTSATLARRSVDIFQNYVAIALMFGVQAVDLRTYKKTGHYDARACLSPATERLYSAVRHVVGQKPTSDRPYIWNDNEQGLDEHIARISADIAAGGV-IVQAVQDIL------

General information: TITO was launched using: RESULT: Template: 2NYN.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 : 2678 -46615 -17.41 -97.52 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -17.41 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_2NYN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NYN-query.scw PDB file : Tito_Scwrl_2NYN.pdb: