Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLVLIGGGYGNMRVLHRLLPNQLPDDVSITLIDRNPYHCLK--TEYYALAAGTISDHHIRVSFPEHP---RLDVQYG-DITSIDIVQKQVLFQDREPISYDDAIIGLGCEDKYHNVPGAP----EFTYSIQTIDQSRETYQKLNNLSANATVAIVGAGLSGVELASELRESRDDLNIILFDRGNLILSSF-PERLSKYVQKWFEEHGVRIINRANITKVEEG--------VVYNHDDPISADAIVWTAGIQPN-KVVRDLDVEKDAQGRIVLTPHHNLPGDEHLYVVGDCASLPHA--------PSAQLAEAQAEQIVQILQKRWNGEALPESMPQFKLKGVLGSLGKKAGFGLVADRPLIGRVPRMLKSGLLWMYKHHNG 1Q1R Chain:A ((4-319)) NDNVVIVGTGLAGVEVAFGLRASGW--EGNIRLVGDATVIPHHLPPLSKAYLAGKATAESLYLRTPDAYAAQNIQLLGGTQVTAINRDRQQVILSDGRALDYDRLVLATGGRPRPLPVASGAVGKANNFRYLRTLEDAECIRRQL---IADNRLVVIGGGYIGLEVAATAIKAN--MHVTLLDTAARVLERVTAPPVSAFYEHLHREAGVDIRTGTQVCGFEMSTDQQKVTAVLCEDGTRLPADLVIAGIGLIPNCELASAAGLQVD--NGIVINEHMQ-TSDPLIMAVGDCARFHSQLYDRWVRIESVPNALEQARKIAAILCGK---------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1Q1R.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 : 1543 -18703 -12.12 -64.94 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -12.12 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_1Q1R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1Q1R-query.scw PDB file : Tito_Scwrl_1Q1R.pdb: