Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRTTIDEAIARVDDWKG---KEISYKPVSGGITNPNFKVDV---------EGEHFFLKIPGAGTDYINREVCHEANMIA--DESKAGPRVYYYFEDTGVEIFQWLDGYRQVTFGDVYDKDIFQSIFERIRDFHHLETKPLNLK------------QSIFEQAWDMNARAKKGGYISPFNDKMEY--LLSAIEKALAGSEELCPCHNDFWTNNLMY-----NEETNDLKIIDYEYASMNDPYVDLGLISAVNYFTEDM-------------------------------------DVEMMKIYGGGKVDERAFARMKLNKIACDIKWAYWALYQAASSNVEFDYMNWYGQKMARLQHFWLDSRLDYWLDVAREKSTRIS 2CKQ Chain:A ((54-373)) ---------------WRGLREDEFHISVIRGGLSNMLFQCSLPDTTATLGDEPRKVLLRLYG--------AMVLESVMFAILAERSLGPKLYGIFPQGRLEQF---IPSRRLDTEELSLPDISAEIAEKMATFHGMKM-PFNKEPKWLFGTMEKYLKEVLRIKFTEESRIKKLHKLLSYNLPLELENLRSLLE---STPSPVVFCHNDCQEGNILLLEGRENS-KQKLMLIDFEYSSYNYRGFDIG-----NHFCEWMYDYSYEKYPFFRANIRKYPTKKQQLHFISSYLPAFQNDFENLSTEEKSIIKEEMLLEVNRFALASHFLWGLWSIVQAKISSIEFGYMDY--------------------------------

General information: TITO was launched using: RESULT: Template: 2CKQ.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 : 881 10362 11.76 43.00 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 11.76 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.248

(partial model without unconserved sides chains): PDB file : Tito_2CKQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ckq-query.scw PDB file : Tito_Scwrl_2CKQ.pdb: