Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MQLTELSIKNQNVFVQHYIDGKEEMSSFFDYSIHHKDMWRERLEDLSSRFFAREELAAYLTSYHNKFGSSAMQSAIEKLKDPSSAAVV--GGQQAGLLTGPLYTIHKIISIIV--------LAKQQEKELQ---VPVIPIFWVAGEDHDLDEINFVH-----TSEENGPVKKKLPQSYWKKSSAASTSLDQEKCAAWIDDVFAAFEETDHTNTLLDNVKRCLRESVTFTDFFELLIADLFQEEGLVLLNSGDPGIKKLETAMFQKILRENDELARAVSDQQAFMRQAGY--KPIIESGKEQANLFYEYEDERFLIEKDNGRFVIKELDLGWTRDELHTHMEEHPERFSNNVVTRPLMQEFLI---PTLAFIAGPGEINYWGELKQAFAVMGFKMPPVMPRLNITILERHIEKKLAERNISLQDAIERGTENQRETYFERQIPEEFTAVMDQAKSQIEAIHKTVRQEALKVDQSLEPLLLKNAAFIQDQLQFLERTVMKRIEEKEGYVLKDYERIQNSIKPLLAPQERIWNIMYYLNRYGPKFFTTFKNLPFSFQNQHQVVKL 1PGJ Chain:B ((1-478)) SMDVGVVGLGVMGANLALNIAEKG-------FKVAVFNRT--YSKSEEFMKA-NASAPFAGNLKAFET------MEAFAASLKKPRKALILVQAGAATDSTIEQLKKVFEKGDILVDTGNAHFKDQGRRAQQLEAAGLRFLGMGISGGEEGARKGPAFFPGGTLSVWEEIRPIVEAAAAKA-DDGRPCVTMNGSGGAGSCVKMYHNSGEYAILQ--IWGEVFDILRA-MGLN---NDEVAAVLEDWKSK--NFLKSYMLDISIAAARAKDKDGSYLTEHVMDRIGSKGTGLWSAQEALEIGVP-APSLNMAVVSRQFTMYKTERQANASNAPGITQSPGYTLKNKSPSGPEIKQLYDSVCIAIISCYAQMFQCLREMDKVHNFG-LNLPATIATFRAGCILQGYLLKPMTEAFEKNPNISNLMC----------------------AFQTEIRAGLQNYRDMVALITSKL----EVSIPVLSASLNYVTAMFTPTLKYGQLVSLQRDVFGRHGYERVDKD----------------------GRESFQWP----ELQ--------

General information: TITO was launched using: RESULT: Template: 1PGJ.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 : 2137 -188859 -88.38 -417.83 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -88.38 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.265

(partial model without unconserved sides chains): PDB file : Tito_1PGJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PGJ-query.scw PDB file : Tito_Scwrl_1PGJ.pdb: