Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSSVPRPNFYLYKTRDEDKEAKMEQKLNSFIEVSPQSDFTIHNLPYGIFSRTAEGERQVGVAIGDWVIDLAALEKHGLLKLSDQDTYFNQPTLNKFIQSGKANWSKVRKTLQSLLSVDNLTLQENEALRQEVLVKQDSVTLHLPLQVSG-YTDFYSSKEHATNVGCMFRAPKNALLPNWTELPVGYNGRASSVVVSGTQVVRPSGQIKHPNEERPVFSVTRKLDFELETAFVIGKPTELGQPISIENAWDHIFGMVLLNDWSARDIQQWEYVPLGPFNSKSFAS--AISPWVVTLEALEPFKVEGPKQEPKPLAYLQENIANSYDINLSVEIQSPKSTQPDVICRTNFKYMYWSMAQQLTHHTIGGCNVQVGDLMGSGTISGSTPDSYGSLLELTWNTTKPLTLANGETRGFLQDGDTLIMKGHCEKNGIRIGFGEVRNTVLPALTFDFAETSEPNYEAV 4PFZ Chain:B ((41-256)) -----------------------------------------------------------------------------------------------------------------------------------GRSWPLADVRLLAPILASKVIAVGKNYAAHAEEMGGV-----------APEDPVIFLKPNTAIIGPNVPIQLPAD--------------ADPVHHEGELAIVIGRP---CKDVPAARAAEFILGYTIGNDVSARDQQRKD---GQWMRAKGHDTFCPLGPWIVTDLD-----------------------PSDVELRTEV--------NGQVRQRSRTSLLLHDIGRLVEWTS-AVMTLLPGDVILTGTPEGV---------------------------GPIEDGDTVSITV--------EGIGTLTNPVVRK----------------

General information: TITO was launched using: RESULT: Template: 4PFZ.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 : 1197 -14063 -11.75 -66.02 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -11.75 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.395

(partial model without unconserved sides chains): PDB file : Tito_4PFZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PFZ-query.scw PDB file : Tito_Scwrl_4PFZ.pdb: