Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MILETTAKASQQYKVMPIMISLLLAGFIGMFSETALNIALTDLMKELNITAATVQWLTTGYLLVLGILVPVSGLLLQWFTTRQLFTVSLIFSILGTFIAALAPSFSFLLAARIVQALGTG-LLLPLMFNTILVIFPPHKRGAAMGTIGLVIMFAPAIGPTFSGLVLEHLNWHWIFWISLPFLVLALVFGIAYMQNVSETTKPKIDVLSIIL-STIGFGGIVFGFSNAGEGSGGWSSPTVIVSLIVGVVGLILFSIRQLTMKQPMMNLRAFKYPMFILGVIMVFICMMVILSSMLLLPMYLQGGLVLTAFASGLVLLPGGILNGFMSPVTGRLFDKYGPKWLVIPGFVIVTVVLWFFSNVTTTSTAVLIIILHTCLMIGISMIMMPAQTNGLNQLPREFYPDGTAIMNTLQQMAGAIGTAVAVSIMAAGQHDYMSTVKNPADPAVIPQALTAGVQHAFVFAMIVAIIGLIGAFFMKRVKVDH 5AYN Chain:A ((7-426)) ---------------LRIETQLLLGRLLTRSGDQAWDFVVPFALLVI--FPGKLQVAAFYYLIVKIGTFLLTPSSGKWIDTHPRIQV-VKWGVWLQFFAILAGMVFFGMLDGLVRAGGRESWLLSVLFIALALSGVMASLGSQITDISVGNDLAPSLVA---PEKLTHFNS-WLRRIDLATEVGAPILAGALF--------PLAGLFLIGLWNLVSFVPEYFLLRNVIQRS----------------------GLKIKVLTEAINLRGSFSDPIFWLILSYALLWLSVLSPHGVLLAAYLKDEMRLPETEIGLFRGLGAVFGLISTVSFPYLVRRLGLISSSRWHLGFQGVTLGIAVTAFAMGSTASVYVFLGCILL--SRVGLYGFSNGEFELRQRLIP--EGRRGELNSLSSLTTTSATLILFSAGSL------------------LPQTEDFKYLVYVSLAAVLLANVVFIKWSSR--

General information: TITO was launched using: RESULT: Template: 5AYN.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 : 1902 -336152 -176.74 -834.12 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -176.74 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.242

(partial model without unconserved sides chains): PDB file : Tito_5AYN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AYN-query.scw PDB file : Tito_Scwrl_5AYN.pdb: