Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQKNNKKKNKRKNLLTNILAGFLILLSLALIFNTQIRNIFIVWNTNKYQVSQVSKEKLEENQDTEGNFDFDSVKAISSEAVLTSQWDAQKLPVIGGIAIPELEMNLPIFKGLDNVNLFYGAGTMKREQVMGEGNYSLASHHIFGVDNANKMLFSPLDNAKNGMKIYLTDKNKVYTYEIREVKRVTPDRVDEVDDRDGVNEITLVTCEDLAA-TERIIVKGDLKETKDYSQTSDEILTAFNQPYKQFY 2RUI Chain:A ((76-207)) ------------------------------------------------------------------------------------------KKQVIGRISIPSVSLELPVLKSSTEKNLLSGAATVKENQVMGKGNYALAGHNM----SKKGVLFSDIASLKKGDKIYLYDNENEYEYAVTGVSEVTPDKWEVVEDH-GKDEITLITCVSVKDNSKRYVVAGDLVGTK---------------------

General information: TITO was launched using: RESULT: Template: 2RUI.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 : 626 -46261 -73.90 -353.14 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -73.90 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.510

(partial model without unconserved sides chains): PDB file : Tito_2RUI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2RUI-query.scw PDB file : Tito_Scwrl_2RUI.pdb: