Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATSTPIVKSIRAIPVAGHDSMLLNLSGAHGPYFTRNILIIEDNSGNIGVGEIPGGEKILATLNDAKALVEGQPIGEYKNLLKKIQQTFADRDSGGRGNQTFDLRTTIHVV----TAYESALLDLLGKHLNVNVASLLGEGQQRSEVEVLGYLFFIGDRKQTSLDYATSTQQHEWYKVRHEKALTPEAVQRLAEASYDRYGFKDFKLKGGVLQGEQEAEAVTAIARRFPDARVTLDPNGAWFLDEAIALGKHLKGVLAYAEDPCGAEQGYSSREIMAEFKRATGLPTATNMVATDWREMSHSIQLQAVDIPLADPHFW-TLEGSVRVSQLCKMYNLTWGSHSNNHFDISLAMFTHVAAAAVGNVTAIDTHWIWQEGTDQLTKVPLEIKDGKIQVPTAPGLGVELDWDRINQAHELYKLKGLGARNDADAMQFLIPNWTFNNKKPCLVR 3VDG Chain:A ((30-443)) -------ITGARVTPVAFADPPLLNTVGVHQPYALRAVIQLDTDAGLTGLGETYADTVHLERLQAAAHAIVGRSVFS-TNVIRALISDALGGDRTGDGSGLAGMITSASVVDRVFSPFEVACLDVQGQVTGRPVSDLLG-GAVRDAVPFSAYLFY-------KWAAHPGAEPDGW-----GAALDPDGIVAQARRMIDEYGFSAIKLKGGVFAPEEEMAAVEALRAAFPDHPLRLDPNAAWTPQTSVKVAAGLEGVLEYLEDPTPGLDG------MAEVAAQAPMPLATNMCVVAFDQLPAAVAKNSVQVVLSDHHYWGGLQRSRLLAGICDTFGLGLSMHSNSHLGISLAAMVHLAAATPNLTYACDTHWPWRH-EDVVAPGALNFCDGEVQVPATPGLGVEIDEDALAALHEQYLRCGIRDRDDTGYMRSIDPG--FNASGP----

General information: TITO was launched using: RESULT: Template: 3VDG.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 : 2505 -62846 -25.09 -153.66 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -25.09 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.509

(partial model without unconserved sides chains): PDB file : Tito_3VDG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VDG-query.scw PDB file : Tito_Scwrl_3VDG.pdb: