Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHIAALHQPSQVQLNQDGNLKHFLTIEGLSKENLTKILDTAQSFLDDNNNLINRPLLEGRTVMNLFFENSTRTRTTFEAAAKRLSANVLNIDIARSSTSKGETLRDTLWNLEAMAADIFVVRHSSSGAAHFIAKDVCPKVAIINAGDGRHAHPTQAMLDMLTIRREMKKPFEDLSVAIIGDIKHSRVARSDVAALQTLGCKDIRVIAPNTLLPVGFSEYGDHVRLFN---NMDEGITGCDVIIALRIQNERIDSPALSSQSEFYRMYGLNKERLSLAKPDCIVMHPGPMNRGVEIDSSIADGEQSVILKQVTNGIAVRMAVLALSMQGQLQEQGLIDAIAL 3R7L Chain:E ((1-290)) -------------------MKHLTTMSELSTEEIKDLLQTAQELKSGKTD----NQLTGKFAANLFFEPSTRTRFSFEVAEKKLGMNVLNLDGTSTSVQKGETLYDTIRTLESIGVDVCVIRHSEDEYYEELVSQV--NIPILNAGDGCGQHPTQSLLDLMTIYEEF-NTFKGLTVSIHGDIKHSRVARSNAEVLTRLGAR---------VLFSGPSEWQDEENTFGTYVSMDEAVESSDVVMLLRIQNERHQSAV--SQEGYLNKYGLTVERAERMKRHAIIMHPAPVNRGVEIDDSLVESEKSRIFKQMKNGVFIRMAVIQRALQ--------------

General information: TITO was launched using: RESULT: Template: 3R7L.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1600 -88394 -55.25 -307.99 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain E : 0.79 3D Compatibility (PKB) : -55.25 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.604

(partial model without unconserved sides chains): PDB file : Tito_3R7L.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3R7L-query.scw PDB file : Tito_Scwrl_3R7L.pdb: