Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKISLLGSGRVAFHLAKALLAQGHHIAQVYARDFEKTKKFAEQI----------Q-----------AKA-CQS-LQEFQPTDLIILAVSDS--AITELATQVHELF-PKMLMVHTSGSTDIQVISQVH---EKAGVFYPLQTFSLERDVDWKATPLFVEATNKDDLVILSDLANSLSKRVYQYTSKQRLTLHLAAVFACNFSNYCFDMAKQVVDAEQVDFGLLYPLILETAKKATENDPKQMQTGPAMRGDQNILVMHQSLLAQANRDDLKQVYQLLSDGIVKRHHSS 4R1N Chain:A ((2-245)) KKVFVLGAGTMGAGIVQAFAAKGCEVI-VRDIKEEFVDRGIATITKSLSKLVAKEKITEADKEEILSRISGTTDMKLAADCDLVVEAAIENMKIKKEIFAELDGICKPETILASNTSSLSITEVASATKRADKVIGMHFFNPAPVMK---LVEVI-RGAATSQETFDAVKEMSESIGKTPVEVAEAPGF-------VVNRILIPMINEATFILQEGVAKEEDIDAAMKLGAN---------HPMGPLALGDLIGLDVCLAIMDVL-----------------------

General information: TITO was launched using: RESULT: Template: 4R1N.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 : 1062 -80086 -75.41 -372.49 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -75.41 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.383

(partial model without unconserved sides chains): PDB file : Tito_4R1N.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R1N-query.scw PDB file : Tito_Scwrl_4R1N.pdb: