Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTGNGADAMKKSRSIRKDNLAGYAFISPFIIGFLCFTVIPMGASLFLSFTSYDLFTAPKWIGLDNFKEMFT--GDEKYWQSLKV-TFTYVLAGVPLRLGFALFIAVILN-NAAKGTAIYRTLFYLPSIIGGSVAVAI---MWRNIFGNDGVINALLFFVGIDQKILWYQNPTSALWTLILLSVWQFGSSMLIFLAGL-KNIPSSYLEAASVDGANRVQRFFKITLPI----LTPII-------FFNLVMQTISAFMTFTPAYIISKGEGGPLDGTLLYSLYLFQRAFNYFQMGYASAMAWVMLVIVGLITLILFKTSSYWVHYESKEE 4KHZ Chain:F ((260-505)) -------------------------------------------------------------GWKNFTRVFTDEGIQKPFLAIFVWTVVFSLITVFLTVAVGMVLACLVQWEALRGKAVYRVLLILPYAVPSFISILIFKGLFNQSFGEINMMLSALFGV----KPAWFSDPTTARTMLIIVNTWLGYPYMMILCMGLLKAIPDDLYEASAMDGAGPFQNFFKITLPLLIKPLTPLMIASFAFNFNNFVL--IQLLTNGGPDRLGTTTPAGYTDLLVNYTYRIAFEGGGGQDFGLAAAIATLIFLLVGALAIVN---------------

General information: TITO was launched using: RESULT: Template: 4KHZ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 822 -125609 -152.81 -553.34 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain F : 0.70 3D Compatibility (PKB) : -152.81 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.345

(partial model without unconserved sides chains): PDB file : Tito_4KHZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KHZ-query.scw PDB file : Tito_Scwrl_4KHZ.pdb: