Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQTLIFMHETGKISIDFFKECIMQDIPMSRWLSPLMAFCLSFVIMATLAPTMGIQIDRQIDFWLLWFGTMLLLALPVCYLEIALAKRSKTTALNALSSLTREADSSPKWRVVGCLAVVFIPFLA------------------GNVLST-------------------------ASNILVAQ--F--------APS-ISSQ-----IIFVGLAVAALVLSFIP--R--QILILLMTLGVIASIVLANMM-GS-----TLQPWHWTSV-EFKEWGNATVLALVASGLGLGLYW-QNSVGAVQAQEGATKTVLPIWLAQLIAVVAFGFFSL--------------------------------QAQLPVLTW---------IFTGVMTSALFVQLAREQLAQRQLMPVLQ--WVIIVVAIAVWAVPEVHNL------FTLIL-MQ--WGL-LICLIYAVFAGWIMKISHLRKSMNFSN-ELFYNLWRIAVRIVLPLSIIVAMIAVIGQSI 4XP1 Chain:A ((27-474)) ----------------------------------------------WRFPYLCYK-NGGGAFLVPYGIMLAVGGIPLFYMELALGQHNRKGAITCWGRL------VPLFKGIGYAVVLIAFYVDFYYNVIIAWSLRFFFASFTNSLPWTSCNNIWNTPNCRPFEGHVEGFQSAASEYFNRYILELNRSEGIHDLGAIKWDMALCLLIVYLICYFSLWKGISTSGKVVWFTALFPYAVLLILLIRGLTLPGSFLGIQYYLTPNFSAIYKAEVWVDAATQVFFSLGPGFGVLLAYASYN--KYHNNVYKDALLTSFINSATSFIAGFVIFSVLGYMAHTLGVRIEDVATEGPGLVFVVYPAAIATMPASTFWALIFFMMLATLGLDSSFGGSEAIITALSDEFPKIKRNRELFVAGLFSLYFVVGLASCTQGGFYFFHLLDRYAAGYSILVAVFFEAIAVSWIYGTNRFSEDIRDMIGFPPGRYWQVCWRFVAPIFLLFITVYGL----

General information: TITO was launched using: RESULT: Template: 4XP1.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 : 1364 -196033 -143.72 -606.91 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -143.72 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.218

(partial model without unconserved sides chains): PDB file : Tito_4XP1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XP1-query.scw PDB file : Tito_Scwrl_4XP1.pdb: