Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MTGNGADAMKKSRSIRKDNLAGYAFISPFIIGFLCFTVIPMGASLFLSFTSYDLFTA-PKWIGLDNFKEMFTGDEK---YWQSLKVTFTYVLAGVPLRLGFALFIAVILN-NAAKGTAIYRTLFYLPSIIGGSVAVAIMWRNIFGND-GVINALLFFVGIDQKILWYQNPTSALWTLILLSVWQ-FGSSMLIFLAGLKNIPSSYLEAASVDGANRVQRFFKITLPILTPIIFFNLVMQTISAFMTFTPAYIISKGE------GGPLDGTLLYSLYLFQRAFNYF---QMGYASAMAWVMLVIVGLITLILFKTSSYWVHYESKEE 2R6G Chain:F ((13-504)) DALKWSVLGLLGLLVGYLVVLMYAQGEYLFAITTLILSSAGLYIFANRKAYAWRYVYPGMAGMGLFVLFPLVCTIAIAFTNYSSTNQLTFERAQEVLLDRSWQAGKTYNFGLYPAGDEWQLALSDGETGKNYLSDAFKFGGEQKLQLKETTAQPEGERANLRVITQNRQALSDITAILPDGNKVMMSSLRQFSGTQPLYTLDGDGTLTNNQSGVKYRPNNQIGFYQSITANWGDEKLSPGYTVTTGWKNFTRVFTDEGIQKPFLAIFVWTVVFSLITVFLTVAVGMVLACLVQWEALRGKAVYRVLLILPYAVP-SFISILIFKGLFNQSFGEINMMLSALFGV-KPAWFSDPTTARTMLIIVNTWLGYPYMMILCMGLLKAIPDDLYEASAMDGAGPFQNFFKITLPLLIKPLTPLMIASFAFNFNNFVLIQLLTNGGPDRLGTTTPAGYTDLLVNYTYRIAFEGGGGQDFGLAAAIATLIFLLVGALAIV----------------

General information: TITO was launched using: RESULT: Template: 2R6G.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 : 993 -157574 -158.68 -541.49 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain F : 0.63 3D Compatibility (PKB) : -158.68 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.315

(partial model without unconserved sides chains): PDB file : Tito_2R6G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2R6G-query.scw PDB file : Tito_Scwrl_2R6G.pdb: