Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MILQLDNVSLKRNGKWILKDIHWKVEEKENWVLYGLNGAGKTALLNMLCSYYFPTSGEMQVLGHEFGKTELGEKLRRKIGLV--SAALQQKLYPADS-AFEIALSGAYASIGLYETPSKETREKAIGLLEDLGAIEYADRRYETLSQGEKQRALIARALMADPELLILDEPVTGLDFIAREKLLDTITYIANKENAPSILYVTHHAEEILPVFDKALLLKQGEVFGSGEIKEML---TDQILSAFFDTPIHVLWNQDRPFLTRAEPITNA 1Q1E Chain:A ((4-237)) --VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAE---RGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEV---------INQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRL-HKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAGFIGSP---------------------

General information: TITO was launched using: RESULT: Template: 1Q1E.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 : 1087 -148948 -137.03 -653.28 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -137.03 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.453

(partial model without unconserved sides chains): PDB file : Tito_1Q1E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1Q1E-query.scw PDB file : Tito_Scwrl_1Q1E.pdb: