Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTPTKQ-HKKETFTHFIFRVFMILVGAAS-AAVSIELFLIPNDFIDGGIIGVSLI--LD-HLFMSNPFLNFAFFVVILNIPFMIFGYKYIGKTF----------LVSTFIGIVGLAV-IESSLHHVEAITTQPILATVFGGLLLGFGVGLV-IRNGGSMDGTEILGILLTK-KLPFSVGEFVMFINVFIFIWAVFVFGPEQAMYSFMTYYIAMKTIDAVIQGLDETKAVIIV-SEQYDEISDAILHRLGRGTTKL--KGKGGYTDEEKDVIYAVVTRL-EVTKLKSIVFEVDQNAFITIMNTHETRGGKFKNAIH--- 4PF6 Chain:A ((25-329)) DKITLRMSTPASETDQRSVALAEVFAPAVAGFATYQPHYNASLIAQNSELEAIASGDLEMSIASAQELAQFFPEFSIFATGYVHQSAEHQVAVFNDPLMDPFKKTVEDELGIKLLSVMYLGQRHVNLRQTKEELTVTTPADLA---GVNLRMPGTDAWQFLGKALGANPTPMA----------FTEIYTALQTGSVDGQDNPLPTVVDAKFYEVTNQVALTGHLVDLNYIAFSKAVWDGLSPEQQEIVQTAADAAAQSGREKQLAKEQELVSFLEEQGMEIYAPDLDAFRTHVQEQYVGSEFAASWPEGVLDKINALG

General information: TITO was launched using: RESULT: Template: 4PF6.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 : 1598 -16299 -10.20 -58.21 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -10.20 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.185

(partial model without unconserved sides chains): PDB file : Tito_4PF6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PF6-query.scw PDB file : Tito_Scwrl_4PF6.pdb: