Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MITVNDVSLHFSDRKLFDDVNIKFTPGNCYGLIGANGAGKSTFLKVLSGDLQPSTGSVTMGPD-ERMAVLKQNHYDYEDYTVLETVIMGHKRLYEVLKEKDAIYMKEDFTDEDGIRAAELEGEFAELNGWEAEPEAAVLLQGLNIPEELHHQQMSELTGGQKVKVLLAQTLFGKPDVLLLDEPTNGLDIQSINWLEEFLINF---ENTVIVVSHDRHFLNKVCTHMADLDFGKIKLYVGNYDFWLESSQLAAKLQANANAKKEEQIKELQEFIARFSANASKSKQATSRKKMLEKITLDDIQPSSRRYPFVGFKPEREIGNDLLQVENVSVTIDGKKILDDISFNLSKEDKVAFVAENDITTTTLFKVIMGEITPDTGTVRWGVTTSNSYLPKDTTKEFDTDLTILDWLRQYASKEEDDNTFLRSFLGRMLFSGEEVLKPVNVLSGGEKVRCMLSKMMLSKANVLVLDDPTNHLDLESITALNDGLMAF----TGSILFASHDHQFIQTLANRIIAVSDKGVIDRADTTYDEFLENADIQKQLNELWA 1YQT Chain:A ((25-477)) ----EDCVHRYGVNAFVLYRLPVVKEGMVVGIVGPNGTGKSTAVKILAGQLIPNLCGDNDSWDGVIRAFRGNE--LQ---NYFEKLKNGEIRPV-VKPQYVDLIPKA--VK---GKVIE---LL---KKADETGKLEEVVKALELEN-VLEREIQHLSGGELQRVAIAAALLRNATFYFFDEPSSYLDIRQRLNAARAIRRLSEEGKSVLVVEHDLAVLDYLSDII-HVVYGEPGVY-GIFSQPKGTRNGI------------NE--FLRGYLKDENVR---FRPY--E----IKFT--KTGE-------RV----EIERETLVTYPRLVKDYG-SFRLEVEPGEIKKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKIEWD--LTVAYKPQYIK--ADYEGTVYELLSKIDASKLNSNFYKTELLKPLGIID-LYDREVNELSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLMVFEG-----------------------------

General information: TITO was launched using: RESULT: Template: 1YQT.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 : 2385 5443 2.28 12.23 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 2.28 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.383

(partial model without unconserved sides chains): PDB file : Tito_1YQT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YQT-query.scw PDB file : Tito_Scwrl_1YQT.pdb: