Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTSIEQKPFNRSVIVGILLAGAFVAILNQTLLITALPHIMRDFNVDANQAQWLTTSFMLTNGILIPITAFLIEKFTSRALLITAMSIFTAGTVVGAFAPNFPVLLTARIIQAAGAGIMMPLMQTVFLTIFPIEKRGQAMGMV---GLVISFAPAIGPTLSGWAVEAFSWRSLFYIILPFAVIDLILASILMKNVTTL----RKTQIDILSVILSTFGFGGLL------------------------YGFSSVGSYGWSSSTVLISLLVGVIALLLFITRQMKLKKPMLEFRVFTFGVF------SLTTLLGTLVFALLIGTETILPLYTQNVRDVTAFDTGLML-LPGAVVMGFMSPIIGRIFDRVGGRGLAIAGFCIIFLTSLPFMQLTDHTSLAWIVVLYTVRLLGTAMIMMPVTTAGINALPRHLIPH-GTAMNNTIRQVGGSIGTALLVSVMSNQAAHAGTTNVKHAALHGMNAAFIVAAVIALVGFLLSFTLKKPQRPAEQQPAR 2X2Z Chain:A ((6-416)) ------GNPFQAN---------------------VEMKTFMERFNLTHHHQSGIYVDLGQDKEV--------------------------DGTLYREPAGLCPIWGKHIELQQPDR----PPYRNNFLEDVPTEKEYKQSGNPLPGGFNLNFVTPSGQRISPFPMELLENSNIK------ASTDLGRCAEFAFKTVAMDKNNKATKYRYPFVYDSKKRLCHILYVSMQLMEGKKYCSVKGEPPDLTWYCFKPRKSVTENHHLIYGSAYVGENP------DAFISKCPNQALRGYRFGVWKKGRCLDYTELTDTVIERVESKAQCWVKTFE---NDGVASDQPHTYPLTSQASWNDWWPLHQSDQPHSGGVGRN-YGFYYVDTTGEGKCALSDQVPD---CLVSDSAAVSYTAAGSLSEETPNFIIPSNTPPTPETALQCTADKFPDSFGAC------DVQACKRQKTSCVG-------------------GQIQSTSVD---CTADEQNEC

General information: TITO was launched using: RESULT: Template: 2X2Z.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 : 2034 -191829 -94.31 -521.27 target 2D structure prediction score : 0.32 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -94.31 2D Compatibility (Sec. Struct. Predict.) : 0.32 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.158

(partial model without unconserved sides chains): PDB file : Tito_2X2Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2X2Z-query.scw PDB file : Tito_Scwrl_2X2Z.pdb: