Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------MFARDALSTAVETACDPDPAVDTISTIEAGNNHTYRVTLA-DGTDLFLKVGTRFPDAFPAEPATMRRVRAETDLPVPRVHGTGTDPLEYPYAVYEYVPDCEAEWAGDLSHEAAERLCREAGRHLCELHQITFPQFGRIGLDTDASADDTLVADAPDADALTVVDPTPFDDLLRQSLDRQVTELADSPFDTRRDSLEAFGTDLIDRSDFADVTPALVHGDYRLGNLCVDPSAEQITAAVLDWELPTALDPLWD-AVMAQSLLTAGHRLDPDSRQTLRRAFWEAYGTSTADTPRRRCYELLARIRLARHLDTECRGLSEAARRARITDHHEAFDALLVDR------ 2QG7 Chain:A ((50-458)) YPITESNLRILEGEDRSEKAKELLKKYVSNVFENEKTLYIYCKYVMLHYGKDLVNPNEVDSLEFQIINGTNILIKVKDMSKQAKYLIRLYGPTDEIINREREKKISCILYNKNIAKKIYVFFTN-----GRIEEFMDGYAL----SREDIKNPKFQKLIAKNLKLLHDIKLNENLYKELQVTQKVPGTR-PSFLWNTIWKYFHLLNEERKKICSFDAKANILKLIDFDVLRDSIVEVESLCKRENS----PIVLCHCDLLSSNIINTVGEGD-SISFIDFEYSCPMERAYDIANHFNEYAGFNCDWDLTPSKEEEYHFIMHYLGTDDEELINQLIREIQPFYICSHINWGLWSLLQGMHSFDFINYGMTRLTASCLPIFRSKV

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 A - contact count / total energy / energy per contact / energy per residue : 1339 38722 28.92 120.63 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 28.92 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.296

(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: