Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKKKVNLGVRDVPTPFSWVSFSLQHLFAMFGSTILVPKLVGMSPAVALVTSGIGTLAYLLITKGQIPAYLGSSFAFISP----IILVKATGGPGAAMVGAFLAGLVYGLIALLIRQLGTGW--LMKILPPVVVGPVIIVIGLGLASTAVNMAMYADPNASELVYSLKHFSVAGVTLAITIICAIFLRGFLSLIPVLIGIIGGYLFALTQGIVNFQPVLDAKWFAVPEFIIPFKDYSPSVTLGIAAAMVPVAFVTMSEHIGHQMVLSKVVGQDFIKKPGLHRSIMGDSVATILASLIGGPPTTTYGENIGVLAITRVFSVFVIGGAAVIALCFGFIGKISALISSVPSAVMGGVSFLLFGIIASSGLRMLIDNKIDYENNRNLIITSVILVIGVGGAFIQVSQGGFQVSGMALAAIVGVILNLILPQAKEEQADTSEQHHI 4P6V Chain:B ((38-409)) --------GLVTKRSSHVRDSVDLKRIMIMVWLAVFPAMFWGMYNAGGQAIAALNHL------------YSGDQLAAIVAGNWHYWLTEMLGGTMGS--KMLLGATYFLPIYATVFIVGGFWEVLFCMVRKHEVNE-------GFFVTSILFALIVPPTLP------LWQAALGITFGVVVAKEVFGGTGRNFLNPALAGRAFLFFAYPAQISG-----DLVWTAAD-------GYSGATALSQWAQGGAGALINIPGSIGEVSTLALMIGAAFIVYMGI------------------ASWRIIGGVMIGMILLSTLFNVIGSDTNAMFNMPWHL--------------VLGGFAFGMF-FMATDPVSASFTNSGKWAYGILIGVMCVLIRV-VNPAYPE---------GMMLAILF---ANLFAPLFDHVVVERNIKRRL

General information: TITO was launched using: RESULT: Template: 4P6V.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1601 -261445 -163.30 -764.46 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -163.30 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.163

(partial model without unconserved sides chains): PDB file : Tito_4P6V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4P6V-query.scw PDB file : Tito_Scwrl_4P6V.pdb: