Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQLTELSIKNQNVFVQHYIDGKEEMSSFFDYSIHHKDMWRERLEDLSSRFFAREELAAYLTSYHNKFGSSAMQSAIEKLKDPSSAAVVGGQ--QAGLLTGPLYTIHKIISIIVLAKQQEKELQVPVIPIFWVAGEDHDLDEINFVHTSEENGPVKKKLPQSYWKKSSAASTSLDQEKCAAWIDDVFAAFEETDHTNTLLDNVKRCLRESVTFTDFFELLIADLFQEEGLVLLNSGDPGIKKLETAMFQKILRENDELARAVSDQQAFMRQAGYKPIIESGKEQANLFYEYEDERFLIEKDNGRFVIKELDLGWTRDELHTHMEEHPERFSNNVVTRPLMQEF-LIPTLAFIAGPGEINYWGELKQAFAVMGFKMPPVMPRLNITILERHIEKKLAERNISLQDAIERGTENQRETYFERQIPEEFTAVMDQAKSQIEAIHKTVRQEALKVDQSLEPLLLKNAAFIQDQLQFLERTVMKRIEEKEGYVLKDYERIQNSIKPLLAPQERIWNIMYYLNRYGPKFFTTFKNLPFSFQNQHQVVKL 2CE7 Chain:A ((5-457)) --------------------------------YKPSGNKRVTFKDVGGA----------------EEAIEELKEVVEFLKDPSKFNRIGARMPKGILLVGPPGTGKTLLARAVAGEAN--------VPFFHISGSD-------FVELFV--GVGAARVRDLFAQAKAHAP-------CIVFIDE----IDAVGRHDEREQTLNQLLVEMDGFD-----------SKEGIIVMAATNR----------------PDILDPALLRPGRFDKKIVVDPPDMLGRKKILEIHTRNKP---LAEDVNLEIIAKRTPGFVGADLENLVNEAALLAAREGRDKITMKDFEEAIDRVILISPAEKRIIAYHEAGHAVVSTVVPNGEPVHRISIIKYLVSRNELLDKLTAL---------LGGRAAEEVVFGDVT---SGAANDIERATEIARNMVCQLGMSEE---LGPLAWGKLR-NYSEEVASKIDEEVKKIVTNCYERAKEIIRK---YRKQLDNIVEILLEKETIEGDELRRILS-----------

General information: TITO was launched using: RESULT: Template: 2CE7.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 : 1993 -133078 -66.77 -330.22 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -66.77 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.269

(partial model without unconserved sides chains): PDB file : Tito_2CE7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CE7-query.scw PDB file : Tito_Scwrl_2CE7.pdb: