Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTGHGMAGDDWQYRKTMPQNILRPTVEAALPHVAGAEWEPLAGGRTNPVFKIN-A--DAPLVCKLSCLSGETPLFGNRALDEAAILKHLEGSGLAPSLTDVLAVPEGEILIYSFVEGDILTQ-------TIPAAVRILRQVHQAEIPDNLPR--------LDGSSAAIIQKTKAILETLPVQ------------K----A-----M-AISFAEPKVELPDTLVPRLIHGDPVPANFIQSK--GKLTLIDWQCPAIGDPCEDLAIALSPAMNAVYG-DGPLTPQQMKECLNAYGD-RT------VSDRYRKLAPLFHWRMAAYCAWKVEQGD-KDYAAGVKLELAALK 2QG7 Chain:E ((110-448)) ----------------------------------SLEFQIING-ITNILIKVKDMSKQAKYLIRLYGP--KT-DEIINREREKKISCILYNKNIAKKIYVFFT---N-GRIEEFMDGYALSREDIKNPKFQKLIAKNLKLLHDIKLNENLYKELQVTQKVPGTRPSFLWNTIWKYFHLLNEERKKICSFDAKANILKLIDFDVLRDSIVEVES-LCK-RENSPIVLCHCDLLSSNIINTVGGDSISFIDFEYSCPMERAYDIANHFNEYAGFNCDWDLTPSKEEEYHFIMHYLGTDDEELINQLIREIQPFYICSHINWGLWSLLQGMHSSDFDFINYGMTRLTA--

General information: TITO was launched using: RESULT: Template: 2QG7.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 : 984 -19000 -19.31 -76.00 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain E : 0.66 3D Compatibility (PKB) : -19.31 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.344

(partial model without unconserved sides chains): PDB file : Tito_2QG7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2qg7-query.scw PDB file : Tito_Scwrl_2QG7.pdb: