Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDDQKETIMQTFSPKAVIERLQNIVGRSYVLTDDQSTRQYRQGRRFG-EGKVLAVVVPGTLLEQWQVLQAAIEA-G--CIVIMQAANTGLTGGSTPYGDDYDRPVLVMSTRRLKG-----IQVIHD-GKQVICLPGATLDNLEQILKGYDREPHSVIGSSCIGASVLGGVCNNSGGALV-RRGPAYTELALYAQVNAAGQLELVNHLGVNLGSTPEEILTRLEKQQYQAVDILDDNEKQASDHRYGHDVTQVDEDTPARFNADPSRLFEASGSAGKVCVFA-VRLDTYEKVE-SSVFYIGSNDADDLTAIRRYLLTSLPSLPIAGEYIHRDAYLIGEKYGKDTFLFIEKFGTANVPKAFAMKDKVDGFLEKFKIKGLTDQILQAITFFLPSHLPKRMTEYRDRYEHHLVLRVE---NNSKAQTEQFLKEYFTV-H-QSGNYFVCSEEEGRKAFLHRFAIAGAAIRYRDTHRSEVEDIVALDIALRRNDREWVEQLPAEME--KKII-H----------KLYYGHFFCHVFHQDYI-----------LK-KGH-DPLEIEHQMWKLLDARRAEYPAEHNVGHLYIAKPALANFY------------QKLDPTNSFNVGIGHTSKLKYWGKAKS 1W1O Chain:A ((40-533)) ----------------------ALALDGKLRTDSNATAAASTDFGNITSALPAAVLYPSSTGDLVALLSAANSTPGWPYTIAFRGRGHSLMGQAFAP------GGVVVNMASLGDAAAPPRINVSADGRYVDAGGEQVWIDVLRASLARGVAPR-SWTDY-LYLTVGGTLSNAGISGQAFRHGPQISNVLEMDVITGHGEMVTCSKQ--------------------------------------------------L--NADLFDAV--LGGLGQFGVITRARIAVEPAPARARWVRFVYTDFAAFSADQERLTAPR--SFGPMSYVEGSVFVNQSLAT-DLANTG----------FFTDA---------DVA-----RI-VALAG--E--R---------NATTVYSIEATLNY----AAVDQELASVLGTLSYVEGFAFQRDVA-YAAFLDRVHGEEVALNKLGLWRVPHPW----LNMFVP------RSRIADFDRGVFKGILQGTDIVGPLIVYPLNKSMWDDGMSAATPSEDVFYAVSLLFSSNDLARLQEQNRRILRFCDLAGIQYKTYLARHT-DRS-DW-VRHFGAAKWNRFVEMKNKYDPKRLLSPGQDIF-----------

General information: TITO was launched using: RESULT: Template: 1W1O.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 : 2339 -53579 -22.91 -126.96 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -22.91 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.307

(partial model without unconserved sides chains): PDB file : Tito_1W1O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1W1O-query.scw PDB file : Tito_Scwrl_1W1O.pdb: