Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFHISTLDQIKIAYIGGGSQGWARSLMSDLSIDERMSGTVALYDLDFEAAQKNEVIGNHSG-NGR-WRYEAVSTLKKALSAADIVIISILPGSLDDMEVDVHLPERCGIYQSVGDTVGPGGIIRGLRAVPIFAEIARAIRDYAPESWVINYTNPMSVCTRVLYKV--FPGIKAIGC-CH-EVFGTQKLLAEMVTERLGIEVPRREDIRVNVLGINHFTWITKASYRHIDLLPIFREFSAHYGESGYELEGECWRDSVFCSAHRVAFDLFETYGAIPAAGDRHLAEFLPGPYLKQPEVWKFHLTPISFRKQDRAEKRQETERLIVQQRGVAEKASGEEGVNIIAALLGLGELVTNVNMPNQGQVLNLPIQAIVETNAFITRNRVQPILSGALPKGVEMLAAR-HISNQEAVADAGLTKDTGLAFQAFLNDPLVQIDRSDAEQLFNDMLQCIMQS 3VKU Chain:A ((7-312)) ------KDHQKVILVGDGAVGSS--YAYAMVL-QGIAQEIGIVDIFKDKTKGDAIDLEDALPFTSPKKIY--SAEYSDAKDADLVVITAGAP--------------------------------------ILKSIVDPIVDSGFNGIFLVAANPVDILTYATWKLSGFPKNRVVGSGTSLDTARFRQSIAKMV------NVDA-RSVHAYIMG-EHG----------DTEFPVWSHANIGG--------------------VTI-AEWVKAHPEIKE-------DKLV-KMFE---D-------VRNKAYEIIKLK--------GA---TFYGIATALARISKAILNDENAVLPLSVYMDGQY-GLN-DIYIGTPAVINRNGIQNILEIPLTDHEEESMQKSASQLKKV--------------------------------------------

General information: TITO was launched using: RESULT: Template: 3VKU.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 : 1554 -209546 -134.84 -740.44 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -134.84 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.406

(partial model without unconserved sides chains): PDB file : Tito_3VKU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VKU-query.scw PDB file : Tito_Scwrl_3VKU.pdb: