Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MILQLDNVSLKRNGKWILKDIHWKVEEKENWVLYGLNGAGKTALLNMLCSYYFPTSGEMQVLGHEFGKTELGEKLRRKIGLVSAALQQKLYPADSAFEIALSGAYASIGLYETPSKETREKAIGLLEDLGAIEYADRRYETLSQGEKQRALIARALMADPELLILDEPVTGLDFIAREKLLDTITYIANKENAPSILYVTHHAEEILPVFDKALLLKQGEVFGSGEIKEMLTDQILSAFFDTPIHVLWNQDRPFLTRAEPITNA 2NQ2 Chain:C ((18-229)) --------------NFLFQQLNFDLNKGDILAVLGQNGCGKSTLLDLLLGIHRPIQGKIEV--------------YQSIGFVPQFFSSPF--AYSVLDIVLMGRSTHINTFAKPKSHDYQVAMQALDYLNLTHLAKREFTSLSGGQRQLILIARAIASECKLILLDEPTSALDLANQDIVLSLLIDLAQSQNM-TVVFTTHQPNQVVAIANKTLLLNK-QNFKFGETRNILTSENLTALFHLPM--------------------

General information: TITO was launched using: RESULT: Template: 2NQ2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 989 -164435 -166.26 -775.63 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain C : 0.76 3D Compatibility (PKB) : -166.26 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.547

(partial model without unconserved sides chains): PDB file : Tito_2NQ2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NQ2-query.scw PDB file : Tito_Scwrl_2NQ2.pdb: