Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------MHMSFDGMFTYG-MTHELNEKIMGGRITKIHQPYKHDVI------------------------FHIRAKGKNQKLLLSAHPSYSRVHI------------TAQAYE--NPSEPPMFCMLLRKHIEGGFIEKIEQAGLDR----------IMIFHIKSRNEIGDETVRKLYVEIMGRHSNIILTDAAENVIIDGLK----------HLSPSMNSYRTVLPGQDYKLPPAQDKISPLEASEDDILRHLSFQEGRLDKQIVDHFSGVSPLFAKEAVHRA--------------------GLANKVTLPKALLALFAEVKEHRFIP---NITTVNGKEY------FYLLELTHLKGEARRFDSLSELLDRFYFGKAERDRVKQQAQDLE--------RFVVN----ERKKNANKIKKLEKTLEYS--ENAKEFQLYG-----ELLTANLYMLKKGDKQAEVINYYDEESPTITIPLNPNKTPSENAQAYFTKYQKAKNS----------------VAVVEEQIRLAQEEIEYFDQLIQQLSSASPRDISEIREELVEGKYLRPKQQKGQKKQKPHNPVLETYESTSGLT----ILVGKNN--RQNEYLTTRVAARDDIWLHTKDIPGSHVVIRSSEPDEQTI------MEAATIAAYFSKAKDSSSVPVDYTKIRHVKKPNG----AKPGFVTYDSQHTVFVTPDADTVIKLKKS 4XR7 Chain:A ((340-1097)) MLAYPDYFNDITSDGPISVDDETYPLSSVGMPYYLDKLLSAWPPVVFKSEGTIPQLLAVISSQNEKLSTQEFPLLRYDRTKYGMRNAIPDYVCLRDIRKQITSGLETSDIQTYTSINKYEVPPAYSRLPLTFDFTPFNNTEYSGLDPDVDNHYTNAIIQLYRFI--PEMFNFVVGCLKDE---NFETTLLTDLG--YLFDMMERSHGKICSSSNFQASLKSLTDKLESLCIRESIEDSSESIKRNMPQKFNRFLLSQLIKEEAQTVNHNITLNQCFGLETEIRTECSCDHYDTTVKLLPSLSISGINKQNILPYIEYAMKNVTQKNSICPTCGKTETITQECTVKNLPSVLSLELSLLDTEFSNIRSSKNWLTSEFYGSIIKNKAVLRSTASELKGTSHIFKYELNGYVAKITDNNNETRLVTYVKKYNPKENCFKWLMFNDYLVVEITEEEALKMTYPWKTPEIIIYCD--AEELRKPFFSVDTYSINYDILFRDYFANARREYKLLTHDEAPKSGTLVAIDAEFVSLQSELCEIDHQGIRSIIRPK-------RTALARISIIRGEEGELYGVPFVDDYVVNTNHIEDYLTRYSGILPGDLDPEKSTKRLVRRNVVYRKVWLLMQL--GCVFVGHGLNNDFKHININVPRNQIRDTAIYFLQGKRYLSLRYLAYVLLGMNIQEGNHDSIEDAHTALILYKKYLHLKEKAIFEKVLNS

General information: TITO was launched using: RESULT: Template: 4XR7.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 : 2190 -77478 -35.38 -139.85 target 2D structure prediction score : 0.35 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -35.38 2D Compatibility (Sec. Struct. Predict.) : 0.35 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.078

(partial model without unconserved sides chains): PDB file : Tito_4XR7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XR7-query.scw PDB file : Tito_Scwrl_4XR7.pdb: