Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQEKERILKLVEEGKLTAQEALTLIEKLDSDYKEKEEKITALSVHVHDEEEPFTTAKKESGKPSLGAKLFDWIDSAVKKVKEVDLDLNFGHAYDVQHIFQFKDTDFSSVELQIANGSVNIVPWEDDDIRAECQAKVYRADSQDAARHAFLQHIECEIKGNKFFIRTEKKTMKTNVTLYIPQKEYDKIRVKLFNGPVRGEHLHVKEFSAKTTNGVLSFSYLTAEKAIAETANGQIKLASHSCGTIEAETINGLIDLRGKSESIDVQSFNGNIAINVTESDCRSIYAKTTTGNVELAIPDDLAVKAELKSNLGTLSHELMDVEMLKEKNDTIQKEMMFTSNQAHDQNITVFSESLTGAIKLKYSQR 1NH2 Chain:D ((22-61)) -------LDTLISDGRIEASLAMRVLETFDKVVA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1NH2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 27 -10024 -371.24 -371.24 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain D : 0.57 3D Compatibility (PKB) : -371.24 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.931

(partial model without unconserved sides chains): PDB file : Tito_1NH2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NH2-query.scw PDB file : Tito_Scwrl_1NH2.pdb: