Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKTVAYFYDPDVGNFHYGAGHPMKPHRLALTHSLVLHYGLYKKMIVFKPYQASQHDMCRFHSEDYIDFLQRVSPTNMQGFTKSLNAFNVGDDCPVFPGLFEFCSRYTGASLQGATQLNNKICDIAINWAGGLHHAKKFEASGFCYVNDIVIG--ILELLKYHPRVLYIDIDIHHGDGVQEAFYLTDRVMTVSFHKY--GNYFFPGTGDMYEVGAESGRYYCLNVPLRDGID----DQSYKHLFQPVINQVVDFYQPTCIVLQCGADSLGC--DRLGCFNLSIRGHGECVEYVKSFNIPLLVLGGGGYTVRNVARCWTYETSLLVEEAISEELPYSEYFEYFAPDFTLHPDVSTRIENQNSRQYLDQIRQTIFENLKMLNHAPSVQIHDVPADLLTYDRTDEADAEERGPEENYSRPEAPNEFYDGDHDNDKESDVEI 2VQQ Chain:B ((158-322)) -------------------------------------------------------------------------------------------------------------------------------------HHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGN-FFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSAR----CFGYLTK---QLMGLAGG------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2VQQ.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 : 775 -31336 -40.43 -202.17 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -40.43 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.452

(partial model without unconserved sides chains): PDB file : Tito_2VQQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VQQ-query.scw PDB file : Tito_Scwrl_2VQQ.pdb: