Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRSDVVSQNEEWQQKIQQLADVSINEFHMRDIANIEHPCAFDTLEEYDLLIFRKLVTPDDEIKNGESHESVFGLATTPISFIFTPKVLISVREQGNKSIENYIQRLENILCKTLEEQNKTRKLPNSPVDLCLRLLNSMVDGYLDIRSPLTRRVEHWQQQLLQGNRRFKQWHQLFHENMAFQQVENLCEEQIETLQEFRDEIVENYHHVIGEKTHSSQDLLLVRLNDLMSHVERIQKHTLRLRSAIQSAIDLHFSAIANQTNENMRILAIITAVFAPLTLLTGIYGMNFEFIPRLKSPVGFWIMLGVMLLSTILLLYYFYRQHLVGRGEKSVIDLLAQQHRQDRMNLFWFLEYEPIKQTLKEVEKITRLK 3JCF Chain:B ((71-351)) ----------DVVQRVGEF--FGIHPLVLEDILNVHQRPKVEFFENYVFIVLKMFTYDK----------NLHELESEQVSLILTKNCVLMFQEKIGDVFDPVRERIRYNR---------GIIRKKRADYLLYSLIDALVDDYFVLLEKIDDEIDVLEEEVLERPE-KETVQRTHQLKRNLVELRKTIWPLREVLSSLYRDVP-----------PLIEKETVPYFRDVYDHTIQIADTVETFRDIVSGLLDVYLSSVSNKTNEVMKVLTIIATIFMPLTFIAGIYGMNFEYMPELRWKWGYPVVLAVMGVIAVIMVVYFKKKKWL---------------------------------------------

General information: TITO was launched using: RESULT: Template: 3JCF.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 : 902 -155102 -171.95 -551.96 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -171.95 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.468

(partial model without unconserved sides chains): PDB file : Tito_3JCF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3JCF-query.scw PDB file : Tito_Scwrl_3JCF.pdb: