Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MGIAGTFIFMIVIGAAIGAVTNHLAIQMLFRPYKAYYLFGKRVPFTPGLIPRRRDELAKQMGLMVVNHLLTPEGIKKRLVSDAAK-TQALRVGEQLIQKLSLSEVTVKEALEKA-GMKRPEKAADAWISSWTDDKLHELFRQYGDQSLKELVPIEVQEKLEEKIPMISGYILSRSVRYFESDEGKIRLGNMIDDFLKERGM-LGSMVQLFLGNSSLADRVLPELLKFLRNEETNKLLSDLLKNEWGKLREYTFNEADEKWNAKALIFSLKRRVLQAFSTAPFFNNTIGTLTVRYESELTQQMLPALLDKLLEGISSNLESVLKRLRLEEIVKEQVDQFPVERLEEMVLSISKKEFKMITYLGGLLGGIIGAIQALFVILF--- 3JCL Chain:A ((15-1118)) YIGDFRCIQLVNSNGANVSAPSISTETVEVSQGLGTYYVLDRVYLNATLLLTGYYPVDGSKFRNLALRGTNSVSLSWFQPPYLNQFNDGIFAKVQNLKTSTPSGATAYFPTIVIGSLFGYTSYTVVIEPYNGVIMASVCQYTICQLPYTDCKPNTNGNKLIGFWHTDVKPPICVLKRNFTLNVNADAFYFHFYQHGGTFYAYYADKPSATTFLFSVYIGDILTQYYVLPFICNPTAGSTFAPRYWVTPLVKRQYLFNFNQKGVITSAVDCASSYTSEIKCKTQSMLPSTGVYELSGYTVQPVGVVYRRVANLPACNIEEWLTARSVPSPLNWERKTFQNCNFNLSSLLRYVQAESLFCNNIDASKVYGRCFGSISVDKFAVPRSRQVDLQLGNSGFLQTANYKIDTAATSCQLHYTLPKNNVTINNHNPSSWNRRYGFNDAGVFGKNQHDVVYAQQCFTVRSSYCPCAQPDIVSPCTTQTKPKSAFVNVGDHCEGLGVLEDNCGNADPHKGCICANNSFIGWSHDTCLVNDRCQIFANILLNGINSGTTCSTDLQLPNTEVVTGICVKYDLYGITGQGVFKEVKADYYNSWQTLLYDVNGNLNGFRDLTTNKTYTIRSCYSGRVSAAFHKDAPEPALLYRNINCSYVFSNNISREENPLNYFDSYLGCVVNADNRTDEALPNCDLRMGAGLCVDYSKSRRAHSSVSTGYRLTTFEPYTPM-LVNDSVQSVDGLYEMQI-----PTNFTIGHHEEFIQTRSPKVTIDCAAFVCG-------DNTACRQQLVEYGSFCVNVNAILNEVNNLLDNMQLQVASALMQGVSAIRGRSAIEDLLFDKVKLSDVGFVEAYNNCTGGQEVRDLLCVQSFNGIKVLPPVL---SESQISGYTTGATAAAMFPPWSAAAGVPFSLSVQYRINGLGVTMNVLSE---------NQKMIASAFNNALGAIQDGFDATNSALGKIQSVVNANAEALNNLLNQLSNRFGAISASLQEILTRLEAVEAKAQIDRLINGRLTALNAYISKQLSDSTLIKVSAAQAIEKVNECVKSQTTRINFCGNG-NHILSLVQNAPYGLYFIHFSYV

General information: TITO was launched using: RESULT: Template: 3JCL.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 : 1455 -130858 -89.94 -372.81 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -89.94 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.320

(partial model without unconserved sides chains): PDB file : Tito_3JCL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3JCL-query.scw PDB file : Tito_Scwrl_3JCL.pdb: