Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDFKDTLLMPKTDFPMRGNLPNREPDIQKKWEEEDIYRLVQERTKDRPKFVLHDGPPYANGDIHMGHALNKILKDFIVRYKSMSGYNAPYVPGWDTHGLPIETALTKNKKVNRKEMSVAEFRKLCEEYAWKQIEGQREQFKRLGVRGDWENPYVTLKPEYEAQQIRVFGEMAKRGYIYKGLKPVNWSPSSESALAEAEI----------EYQDK------------------------RSASIYVAFGVKDGKGVLENGERIIIWTTTPWTIPANLGISVHPDLEYSVIAVGEDRFVVASALVENVASACGF-DQYEVTRTV--KGKDLENIIAEHPLYGRDSLVMLGEHVTTDAGTGCVHTAPGHGEDDFIIGQKYGLDVLCPVDEKGVMTSEAPGFEGMFYDDANKAITQQ-LDEKGALVKL-EFITHSYPHDWRTKKPTIFRATAQWFASIKDFRSDLLDAIKETKWVPEWGEQRLHNMVRDRGDWCISRQRAWGVPIPVFYAENGEPVIT-DETIEHVSELFRQHGSNIWFEKEAKDLLPEGFTHPGSPNGTFTK----------EQDIMDVWFDSG---------SSHQAVLE-ERDDLVRPADLYLEGSDQ------YRGWFNSSLSTAVAVTGKAPYKGVLSHGFAL-------------------------DGEGR------------------KMSKSIGNVVVPAKVMKQLGADILRLWV---SSVDYQADVRVSDAILKQVAEVYRKIRNTFRFLHGNLFDFDPKTNAVAVEDLREVDQYMLIKLNKLIDKVKKAYDEYEFAVVYHSIHNFCTIELSSFYLDFAKDIVYIEHADHPDRRSMQTVFYETLLALVKLSAPILPHTADELWSHLTFVEEQSVQLTDMPETITVPNSEATEEKFDRFMALRDDVLKALETARNEKIIGKSLEANLKLYPNKENKELLASIKENLSQLFIVSELTISEENEAPNDAQSFATGKIAVEKAEGEMCERSRVISKDVGANPKYPTLSLRNAEIVEKYYQK 4ARI Chain:A ((31-796)) -----------------------ESKVQLHWDEKRTFEVTEDESKE--KYYCLSMLPYPSGRLHMGHVRNYTIGDVIARYQRMLGKNVLQPIGWDAFGLPAEGAAVKNNTAP-------------APWTYDNIAYMKNQLKMLGFGYDWSRELATCTPEYYRWEQKFFTELYKKGLVYKKTSAV---------------EIPQWFIKITAYADELLNDLDKLDHWPDTVKTMQRNWIGRSEGVEITFNVNDYDNTL------TVYTTRPDTF---MGCT------YLAVAAGHP---LAQKAAENNPELAAFIDECRNT---EKKGVD-TGFKAVHPLTGEEIPVWAANFVLMEYGTGAVMAVPGHDQRDYEFASKYGLNI------KPVILAA---------DGSEPDLSQQALTEKGVLFNSGEF--NGLDHE------AAFNAIA-----------DKLTAMGV-------GERKVNYRLR---DWGVSRQRYWGAPIPMVTLEDGTVMPTPDDQLPVIL---------------PEDVVMDGITSPIKADPEWAKTTVNGMPALRETDTFDTFMESSWYYARYTCPQYKEGMLDSEAANYWLPVDIYIGGIEHAIMHLLYFRFFHKLMRDAGMVNSDEPAKQLLCQGMVLADAFYYVGENGERNWVSPVDAIVERDEKGRIVKAKDAAGHELVYTGMSKMSKSKNNGIDPQVMVERYGADTVRLFMMFASPADMTLEWQESG-----VEGANRFLKRVWKLVYEHTAKGD--VAALNVDALTENQKALRRDVHKTIAKVTD-------DIGRRQTFNTAIAAIMELMNKLAKAPTDGEQ----DRALMQ----EALLAVVRMLNPFTPHICFTLWQEL-------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ARI.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 : 3002 -264337 -88.05 -430.52 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -88.05 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.424

(partial model without unconserved sides chains): PDB file : Tito_4ARI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ARI-query.scw PDB file : Tito_Scwrl_4ARI.pdb: