Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQYASESINLPGEITFKDVREIFFYQIAKISCFYFLLFCAIFAAVNFINGWPRIVYGSDALNLFMNSMLIIVMSVLFTLLLLLLLYVKFSRAYKKNERMKSKRTYTLNQEGIRICSK-KYDLIFNWDEIT--AVFEYKNIFRVNTSSGQYIAIPKHFFHSEEEMNRFKEIILKNTETKKLKFKKDQH 4KHB Chain:D ((21-106)) ------------------------------------------------------------------------------------------------------PGKCRFAENGLGWKPVG--TFTLDVSNIGGAQWSRAA-GYEVKILQRTSGVIQLDGFQQE-DYERLAKIFKNWYS-----------

General information: TITO was launched using: RESULT: Template: 4KHB.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 : 231 -26682 -115.51 -392.38 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain D : 0.52 3D Compatibility (PKB) : -115.51 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.433

(partial model without unconserved sides chains): PDB file : Tito_4KHB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KHB-query.scw PDB file : Tito_Scwrl_4KHB.pdb: