Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------MCINFLVCASLSMFRTSV---SGARVPIGAWPDRGGEVRDAVLSVFRRNEYMREIDTGARVASPGTGCDGLVGTCPVDKP--VDSVAVGVLARFLAQLTLVRKEALPALPAEWSRNERDSRAYLDTLVRHAKRRMLDPNWTAIGGLFAVLGVPGDRLVRFAEQVPAMSRRPYGLLLTNLARD--NVTILEGPKLAEAGLDWTSASYGDPLHGLAGHVVRMRYPQDQVNEVVQAWACEMRRIRPPAVSGLDRDLPYYLDFERIHAAYDDVIRAARSLGDSIENLALLAAASDIGTALKRAAGLLGMSEVPPEKEIADALFRWQAARLVRAAERVPDSLFRWRCDDRVPERDDFPSDLVRRALAVEGVAPADRVFRGTAHLNTVVQLENYPDPVVVRRETAAAPRREQGLLPEHAVLQVIERSGVQVRAPRILALGYDDRRRHVAIHTYEGPGGRSPQHPVDGLLPAEADELVDEL---AALAEVDHSSLPSNEPEGGFYRWL---AERLADFVAALPDATLRAADQRGLPDGDLLRQILGRYKVSDRAPVLLHGDLNPWNLVRAGRQGGLTIIDWEMGMIGDPLYDLVRHLHLTPTRTEMRVRMFDRWSKKLPAECVVGWEEDWRVYRYIEQIRSAYVDLDRMTTGAALSTPNVRRAVDAYEMTLSAATGSLGLRRRVVPKVPASLKVS 4R8A Chain:A ((16-553)) LPEPFYYLHNFRAVLAWIGERYADLLDDQERAFIAAFAELPEASQALLVRMVMRKG---TLFREGKLAYAEIG-DTRAAVQPLLALGWVDAQPTLELAQLFGLLK--KDELSQLFRDHLGRANLRKDALLERLQPLFPEARRLAEWQAD---------FAEPVYEL--RCMALCDRLRLMYFGNLWQDWSEFVLADLGIYRYESVEFSADSRGFRL-------------RADVDAYLHLFDCRQRFDLGEPLEELLAGLP--------GEPYAN----PWLEGRRVKLLFQFAQHCEKQRDFDLAQRLYRQSSHPG--------ARLRAIRSLERGERFAEAHALAREASCAPESDAERQGLARLLPRLQGKLGLPRQARAAAPEIDRLDLCLAFPSEPCSVEWAVREHLE----EPGCAVHYVENGLINSLFGLLCWEAIFAAIPGAFFHPFHSAPADLHSADFRQRRAALFEACLGRLEDGSYRDAIRCRYRDKFGLQSPFVYWELLGEELLEQALDCLPAAHLRAWFERLLED------------------------------IPGNRAG---------------LPDLIQFW---PAQRRYRMVEVKGPGDRLQ-------DNQLRWLQFCRE----------------------------REMPVAVCYV-------------------

General information: TITO was launched using: RESULT: Template: 4R8A.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 : 2126 20969 9.86 40.40 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 9.86 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.172

(partial model without unconserved sides chains): PDB file : Tito_4R8A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4r8a-query.scw PDB file : Tito_Scwrl_4R8A.pdb: