Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------MLLKSGEAEHETPHSKIPPDSHGIIPPDLQPKIPS----FLSGTSR---LDDSRQRPTADLPKRGFEEPIAQEVPESEAVSVPPSLAAWIRAQRGEII----ADLSGELCECFVLR----------IRTEASGDVVAKIPGKFR--------------------------------------YPVERELRARPYLEGL-----------------------INERLAPREVFADSSQAVIV--YDFVPG------EAASKATAHLSAEKIPR------IFRQAGYALARLHQAATRPSNG------------YEKAQVCRTLARIAEIEDSAFSTLRREH---------------SELLSQAREELGAYQPRDLP-------LVPSHGDYRADNWIVGEGGELRVI-------------------------------DFGRFGFRP----ALADFMPLARSEWPK---NSLLRDVFLEGYASGGAGHGTIGGIIAEGRGGWWRVSNICDVLG-------------NLWFEVRGASARLQAEDSDKRTAERSSEATRQAHPHAQADLQLDAQAELQAGFTALARALGF 5IKK Chain:A ((24-650)) LKKSGLCYDPRMRFHATLSEHPEDPRRVLRVFEAIKKAGYVSNVPSPSDVFLRIPAREATLEELLQVHSQEMYDKMSHEDLANLEKISDSLYYNNESAFCARLACGSAIETCTAVVTGQVKNAFAVVRPPGHHALFNNVSVTARSMLQRFPDKIKRVLIVDWDIHHGNGTQMAFYDDPNVLYVSLHRYENGRFYPGTNYGCAENCGEGPGLGRTVNIPWSCAGMGDGDYIYAFQRVVMPVAYEFDPDLVIVSCGFDAAAGDHIGQFLLTPAAYAHMTQMLMGLADGKVFISLEGGYNLDSISTSALAVAQSLLGIPPGRLHTTYACPQAVATINHVTKIQSQYWRCMRPKHFDANPKDAHVDRLHDVIRTYQAKKLFEDWKITNMPILRDNNQVLCSSNFFQKDNLLVIVHESPRVLGNGTSETNVLNLNDSLLVDPVSLYVEWAMQQDWGLIDINIPEVDILSEVKELCLYVWDNYVELSISKNIFFIGG--GKAVHGLVN--LASSRNVSDRVKCMVNFLGTEPLVGLKTASEEDLPTWYYRHSLVFVSSSNECWKKAKRAKRRYGRLMQSEHTETSDMMEQHYRAVTQYLLHLLQ

General information: TITO was launched using: RESULT: Template: 5IKK.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 : 2118 -450 -0.21 -1.12 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -0.21 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.232

(partial model without unconserved sides chains): PDB file : Tito_5IKK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5ikk-query.scw PDB file : Tito_Scwrl_5IKK.pdb: