Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDFKDTLLMPKTDFPMRGNLPNREPDIQKKWEEEDIYRLVQERTKDRPKFVLHDGPPYANGDIHMGHALNKILKDFIVRYKSMSGYNAPYVPGWDTHGLPIETALTKNKKVNRKEMSVAEFRKLCEEYAWKQIEGQREQFKRLGVRGDWENPYVTLKPEYEAQQIRVFGEMAKRGYIYKGLKPVNWSPSSESALAEAEIEYQD-----------KRSASIYVAFGVKDG-----------KGV---------------------LENGERIIIWTTTPWTIPANLGISVHPDLEYSVIAVGE--DRFVVASALVENVASACGFDQYEVTRTVKGKDLENIIAEHPLYGRDSLVMLGEHVTTDAGTGCVHTAPGHGEDDFIIGQKYGLDVLCPVDEKGVMTSEAPGFEGMFYDDANKAITQQLDEKGALVKLEFITHSYPHDWRTKKPTIFRATAQWFASIKDFRSDLLDAIKETKWVPEW--GEQRLHNMVRDRGDWCISRQRAWGVPIPVFYAE-NGEPVITDETIEHVS----EL--FRQHGSNIWFEKEAKDLLPEGFTHPGSPNGTFTKEQDIMDVWFDSGSSHQAVLEE----------RDDLVRPADLYLEGSDQYRG-----WFNSSLSTAVAVT-GKAPYKGVLSHGFALD----------------------------------------------GEG-------RKMSKSIGNVVVPAKVMKQLGADILRLWVSSVD-YQADVRVSDAILKQVAEVYRKIRNTFRFLHGNLFDFDPKTNAVAVEDLREVDQYMLIKLNKLIDKVKKAYDEYEFAVVYHSIHNFCTIELSSFYLDFAKDIVYIEHADHPDRRSMQTVFYETLLALVKLSAPILPHTADELWSHLTFVEEQSVQLTDMPETITVPNSEATEEKFDRFMALRDDVLKALETARNEKIIGKSLEANLKLYPNKENKELLASIKENLSQLFIVSELTISEENEAPNDAQSFATGKIAVEKAEGEMCERSRVISKDVGANPKYPTLSLRNAEIVEKYYQK 2V0C Chain:A ((3-813)) ----------------KYNPHAIEAKWQRFWEEKGFMKAKDL-PG---KQYVLVMFPYPSGDLHMGHLKNYTMGDVLARFRRMQGYEVLHPMGWDAFGLPAENAALKF------GVHPK-------DWTYANIRQAKESLRLMGILYDWDREVTTCEPEYYRWNQWIFLKMWEKGLAYRAKGLVNWCPKCQTVLANEQVVEGRCWRHEDTPVEKRELEQWYLRITAYAERLLKDLEGLNWPEKVKAMQRAWIGRSEGAEILFPVEGKEVRIPVFTTRPDTLFGATFLVLAPEHPLTLELAAPEKREEVL--AYVEAAKRKTEIE-RQAEGREKTGVFLGAYALNPATGERIPIWTADYVLFGYGTGAIMAVPAHDQRDYEFARKFGLPIKKVIERPGEPLPE--------------PLERAYEEPGIMV------NSGPFDGTESEE---------------GKRKVIAWL------EEKGLGKGRVT---YRLRDWLISRQRYWGTPIPMVHCEACGVVPVPEEELPVLLPDLKDVEDIRPKGKSP-LE-AHPEFY--ETTCPKCG-GPAKRDTDTMDTFFDSSWYYLRYTDPHNDRLPFDPEKANAWMPVDQYIGGVEHAVLHLLYSRFFTKFLHDLGMVKVEEPFQGLFTQGMVLAWTDFGPVEVEGSVVRLPEPTRIRLEIPESALSLEDVRKMGAELRPHEDGTLHLWKPAVMSKSKGNGVMVGPFVKEQGADIARITILFAAPPENEMVWTEEGVQGAWRFLNRIYRRVAEDREALLETSGV---FQAEALEGKDRELYGKLHETLKKVTEDLEALRFNTAIAALMEFL-NAL-YEYR---KDR------------PVTPVYRTAIRYYLQMLFPFAPHLAEELWHWFWP---DSLFEAGWPELDEKAL---E------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2V0C.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 : 3664 -303679 -82.88 -443.98 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -82.88 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.402

(partial model without unconserved sides chains): PDB file : Tito_2V0C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2V0C-query.scw PDB file : Tito_Scwrl_2V0C.pdb: