Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQKNNKKKNKRKNLLTNILAGFLILLSLALIFNTQIRNIFIVWNTNKYQVSQVSKEKLEENQDTEGNFDFDSVKAISSEAVLTSQWDAQKLPVIGGIAIPELEMNLPIFKGLDNVNLFYGAGTMKREQVMGEGNYSLASHHIFGVDNANKMLFSPLDNAKNGMKIYLTDKNKVYTYEIREVKRVTPDRVDEVDDRDGVNEITLVTCEDLAATERIIVKGDLKETKDYSQTSDEILTAFNQPYKQFY 4O8T Chain:B ((31-187)) ------------------------------------------------------------------------------------------KLPVIGGIAIPELEMNLPIFKGLDNVNLFYGAGTMKREQVMGEGNYSLASHHIFGVDNANKMLFSPLDNAKNGMKIYLTDKNKVYAYEIREVKRVTPDRVDEVDDRDGVNEITLVTAEDLAATERIIVKGDLKETKDYSQTSDEILTAFNQPYKQFY

General information: TITO was launched using: RESULT: Template: 4O8T.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 : 464 -59869 -129.03 -381.33 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -129.03 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.510

(partial model without unconserved sides chains): PDB file : Tito_4O8T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4O8T-query.scw PDB file : Tito_Scwrl_4O8T.pdb: