Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTSLRLNHYWITCADGLETLLQEEIEQLGTKVTERKAGRLIIEGTLEHAYRICMWSRLASRVLLPIHTYELERTHDARDVAEELYEGAISFDWSLIFAPQSTFAIRLHAEREIKVNTQFATLRVKDGVVDSFMEAVGRRPSIDTKQPEITLYVLAGKTEHTYCLDLSGDSLHKRGYRRFMTDAPIKENLAAAILQKAKLQERNPEIVLDPMCGSGTFIIEALMILTDRAPGLVR-RFGFNGWHGHDRELWLSLKAEAAERHEKALEQPLPKFYAYDADWEAVKATRENIIAAGFEKLLGDIQIEERTLADWPDFGAENKTAFIVTNPPYGERLGDKASNRSLYLGLSALLQKNFPNQYAAIIAAQIEQADVLAFEAPETLRLMNGKLPIYVR-FGTVKLEKVTQPFLANWQAQPVEMEEAQDFANRLQKNMTALKKWATKENIYCLRLYDADLPDFNLAVDLYSDRLHVQEYAPPKKIDPEKAKKRFNLALAAIRAVTGLNRDAIFIKTRARQTGTNQYTKQSTANKRFIVQEGKAKILVNLTDYLDTGLFLDHRQMRLRIAQEARGKHFLNLYSYTSTASLHAALGGAASTTSVDLSNTYLSWSKENFVLNGLTVDHADEQHMFFASDCFEWLKEGHEQYDLIFIDPPTFSNSKKFHGTFDVQRDHVSLIKRAMNRLTSEGTLYFSNNYRGFEMDEEIEALYDV--EEITSETIGPDFKRNQKIHRAWKIQHPGLN 3V97 Chain:B ((2-700)) ------MNSLFASTARGLEELLKTELENLGAVECQVVQGGVHFKGDTRLVYQSLMWSRLASRIMLPLGECKVYSDLD-------LYLGVQAINWTEMFNPGATFAVH--------RNSQYGAMKVKDAIVDAFTR---PRPNVDRDAPDIRVNVW------SIALDLSGDGLHLRGYRD---IAPIKETLAAAIVMRSGWQPGTP--LLDPMCGSGTLLIEAAMLATDRAPGLHRGRWGFSGWAQHDEAIWQEVKAEAQTRARKGLAEYSSHFYGSDSDARVIQRARTNARLAGIGEL---ITFEVKDVAQLTNPLPKGPYGTVLSNPPY-----SEPALIALHSLLGRIMKNQFGGWNLSLFSASPDLLSCLQLRADKQYKAKNGPLDCVQKNYHVAES---------------------EDYTNRLRKNLKKFEKWARQEGIECYRLYDADLPEYNVAVDRYADWVVVQEYA-------HKARQRLFDIIAATISVLGIAPNKLVLKTRE-------------KGEFLEVTEYNAHLWVNLTDYLDTGLFLDHRIARRMLGQMSKGKDFLNLFSYTGSATVHAGLGGARSTTTVDMSRTYLEWAERNLRLNGLT----GRAHRLIQADCLAWLREANEQFDLIFIDPPTFSN------AFDVQRDHLALMKDLKRLLRAGGTIMFSNNKRGFRMDLDGLAKLGLKAQEITQKTLSQDFARNRQIHNCWLI------

General information: TITO was launched using: RESULT: Template: 3V97.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 3410 -100918 -29.59 -159.18 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -29.59 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.454

(partial model without unconserved sides chains): PDB file : Tito_3V97.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3V97-query.scw PDB file : Tito_Scwrl_3V97.pdb: