Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVNHENYWTFCPHNLFWIDRKINRIDMSQTTQTDIITLGDVATRLPSFIPKVPHILNGLKQAYLRTSNTPTGLGIAFEKAVKRNPKGTALLFE-----DQSYSYEALNEWANQISHYYLSLGARKGDVIAVMIENRSELIATIVGLAKIGVTIALVNTSQVGKVLAHSINLVKPIAVIAGEEVR--AAIDEIRQDLNVPKDRFHWFADQATRQKSGTAPKGYVNLADQIDQF-P-KFNPSTTRSVTGNDGLFYIYTSGTTGLPKAVIFKHSRWTLAYGTYGHILNLGPDDVMYVTLPLYHATGVVVCWCGVIAGSATLAIRRK--YSTSAFWKDVQKFNASAIGYVGELCRYLMDAPVTELDRNHRVTKM--IGNGMRPNIWDKFKQRFGVKEVLELYASSEGNVGFSNIFN---FDNTVGFSPTPYAIIQFDKEKNEPIRDKNGWCQKVKAGEVGLLIGKITS-----RSPF-DGYTDPEKNKSVIWKDVFKKGDSYFNTGDLVRDIGFRHAQFVDRLGDTFRWKGENVSTTEVENMVCEYDKIAEAVVYGVEIPNTNGRAGMAAITLADGEE-LNDADLTEMVTVFKKCLPTYAVPVFLRVQKKVETTGTFKYQKNKLKEEAFNPSKTSERLLALLPGASSYCDITTEIFDNIQAYKYRF 3ETC Chain:B ((56-562)) ----------------------------------------------------------------------NFAYDVVDVYARDSPEKLAMIWCDDYGNEKIFTFKDLKYYSDKAANFFVKHGIGKGDYVMLTLKSRYDFWYCMLGLHKLGAIAVPATHMLKTRDIVYRIEKAGLKMIVCIAEDDVPEQVDEAHAECGDIPLKKAKVGGD--------VLEGWIDFRKELEESSPIFERPTGEVSTKNEDICLVYFSSGTAGFPKMVEHDNTYPLGHILTAKYWQNVEDDGLHYTVADSGWGKCVWGKLYGQWIAGCAVFVYDYDRFEAKNMLEKASKYGVTTFCAPPTIYRFLIKEDLS-HYNFSTLKYAVVAGEPLNPEVFNRFLEFT-GIKLMEGFGQTETVVTIATFPWMEPKPGSIGKPTPGYKI---------ELMDRD--GRLCEVGEEGEIVI--NTMEGKPVGLFVHYGKDPERTEETWH-------DGYYHTGDMAWMDEDGYLWFVGRADDIIKTSGYKVGPFEVESALIQHPAVLECAITGVPDPV--RGQVIKATIVLTKDYTPSDSLKNELQDHVKNVTAPYKYPRIIEFVPELPK-----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ETC.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 : 2787 -12733 -4.57 -26.31 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -4.57 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.458

(partial model without unconserved sides chains): PDB file : Tito_3ETC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ETC-query.scw PDB file : Tito_Scwrl_3ETC.pdb: