Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMRRLSTQDQNFKQVFAELLAFETVNDPNLVQTVDQIIADVRQHGDDHVLKLTQQFDRHPAHQFSDLELSQQQLKAAFDGLNQEIREALQLAADRIRTFHEAQKQDSWTYVDDLGNTLGQKVTPLDRVGIYVPGGLASYPSSVLMNAVPAHVAGVPEIIMVVPAPNGELNPLVLAAAYLAGVSRVFTIGGAQAVAALAYGTQTVPRVDKITGPGNRFVAAAKRAVFGQLGIDMIAGPSEILVYAEGVNNAEWLAMDVLSQAEHDTVAQAIFITPDGALLEAVESAIEKHLNELPKAEIARTSIENRGALVLVKDRAEAVDLINQVAPEHLE----LC------LDDAEAMSQDIRHAGAIFMGRYTPEAIGDYCAGPNHVLPTSGTARFSSPLGVYDFQKRSSLIMCSKDGV----KTLAKTADVLAVQENLDAHARSARYRYQ 4K7J Chain:A ((26-375)) ----------------GLLTDYGNASASPWMKKLQSVA-----QGSGETFRILQIGDSHTAG----------------DFFTDSLRKRLQKTWGDGGI--------GWVYP---ANVKGQRMAAVRHNGNWQSLTSRNNTGDFPLGGILAHTGSGGSMTLTASDGIASKQRVSLFAKPLLA-EQTLTVNG-NTVSANGGGWQVLDTGAALP----LTIHTEMPWDIGFINIENPAG--GITVSAMGINGAQLTQWSKWRADRMNDLAQT------GADLVILSYGTNEAFNN--NIDIADTEQKWLDTVRQIRDSLPAAGILIIGAPESLKNTLGVCGTRPVRLTEVQQMQRRVARQGQTMFWSWQ-NAMGGICS-------------------MKNWLNQGW---AAKDGVHFSAKGYRRAAEMLA--DSLEELVRSA-----

General information: TITO was launched using: RESULT: Template: 4K7J.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 : 2029 -115958 -57.15 -345.11 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -57.15 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.225

(partial model without unconserved sides chains): PDB file : Tito_4K7J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4K7J-query.scw PDB file : Tito_Scwrl_4K7J.pdb: