Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREKMRFPTLVFDIETLTDLKAG-----AHLYHLDL-PEADVEQALTKIRRQESGMDFQRLPLHEIVCISGLWIDESGFRLFSFSREHY-------SEAEILQKFLSIFDKRHPTLV-SWNGSQFDL-PVILFRAMYHGLSAPGLFDQGE-------------LDSQKR-FNNYQNRYHHRHID--LMDVMAMFNGRNFQKLDDVACILGLPGKRGESGYHVP----EYVRTEQWLKLTSYCEGDVLNTW-FIY-----LR--WLLLKGQMNVDEHNHWISSSIEYLQTM-----PQQADFLEVWQRTSKHTEFT-------------SHYFNPLNF-------------------------------- 4Q98 Chain:A ((9-365)) --VVETNATVSFIIKSGESRAVGDDLTDAKITKLTAMVYAGQVQEGIKTVEEDGG----VLKVEGIPCKSG-----ANRVLVVVANHNYELTGKSLNEVEALTTSLTAENQNAKNLIMTGKSAAFTIKPGSNHYGYPGGTASDNLVSAGTPLAVTRVHAGISFAGVEVNMATQYQNYYSFKPADAKIAALVAKKDSKIFGNSLVSNTNAYLYGVQTPAGLYTPDAAGETYELEASL-NTNYAVGAGFYVLESKYDASNELRPTILCIYGKLLDKDGNPLTEPALTDAINAGFCDGDGTTYYPVLVNYDGNGYIYSGAITQGQNKIVRNNHYKISLNITGPGTNTPENPQPVQANLNVTCQVTPWVVVNQ

General information: TITO was launched using: RESULT: Template: 4Q98.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 : 1337 12826 9.59 48.58 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 9.59 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.113

(partial model without unconserved sides chains): PDB file : Tito_4Q98.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q98-query.scw PDB file : Tito_Scwrl_4Q98.pdb: