Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MINLGIIGTNWITHQFVQAALSTKKYELTAVYSRHLEKAQEFGSHYEGDIEFATDLKTFFNITHMDTIYIASPNSLHFSQAKQAILAGKNVIVEKPAFSTPKEMDEIIHLANEHNVYFFEAARNIHESGFKKIADYLP--LKDEIIGANFSYMKYSSRYDQVLDGEEPNIFSTHFSGGALMDLGVYLVYAAVAWFGM-PKEVHYFPRKISTGVDGLGWGILRYENF-DVSIQPGKIGDSYLPSEIYFDSGTLVMNGVNAIEQAQFHDRAHKEIIDLAVTAAENPMADEAEDFANVMAHPKDPAWGLLYEEWIELARNVNQVIYDLRKNGGIKFDADNEEDF 3E9M Chain:D ((3-320)) KIRYGIMSTAQIVPRFVAGLRESAQAEVRGIASRRLENAQKMAKELAI-PVAYGSYEELCKDETIDIIYIPTYNQGHYSAAKLALSQGKPVLLEKPFTLNAAEAEELFAIAQEQGVFLMEAQKSVFLPITQKVKATIQEGGLGEILWVQSVTAYPNV-------DHIPWFYSREAGGGALHGSGSYPLQYLQYVLGKEIQEVTGTATYQQGATDSQCNLALKFAEGTLGNIFINVGLKIPSEMTICGTKGQIVIPNFWKTDCAYYTDAQGN-TVKWS-EQFTSEFTYEINHVNQCLQDKKL----TSPVMTKELTIATVKIVESFYQEWFDN---------

General information: TITO was launched using: RESULT: Template: 3E9M.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1770 -116791 -65.98 -371.95 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain D : 0.69 3D Compatibility (PKB) : -65.98 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.347

(partial model without unconserved sides chains): PDB file : Tito_3E9M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3E9M-query.scw PDB file : Tito_Scwrl_3E9M.pdb: