Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEEWQSVFEEWFPKEISKSYPIKISKQY-TSSQRWE--IYAKLTKK--QRELVDKHRRYLISSRFMEEHYLAATDWVFSDFKINPFFRT--KRSQQKLYCECGRELKVQYIVKSPKT--GKILKLGINHFADHLHVSPTVAASI--HQGMTKVDLALDELLWLKQKNIDFPEGLWQKYCFVLYQNRRMKQPYLPDIKLAQRLAEFRQVEMPIYIADYQALENEIKKISEHINGQSKK--------RQIKKELFDDFAEELVKDVEEFLINYRAFLRKDWQSIVYEEVPVHPNAYFETFISVLRKTKRQRTPEVTAQMEYFAKNQRFIQPKIYLFIWKQYC--RYGFTEGFFDSIPRIVRNGFLKVLRKEREAIQSADKKDRTVSKEKWQLVVKDIQSGNVQETIDKWKGKHYRFTEAQKQALEYYQKLEESLRFNDEARKYLKELL 4XGC Chain:E ((1-458)) MEAICSSLEPLFP--CREAAIETLGELIGDSSETYPSAIYLFGHSGTGKTALTRAFLKECGKRQNVRTAHLNAIECYTTKIMLEILLDSLAPDQGDALKVDNMLDFVEQLRRQAATRVEDQGFLIAVDNAERLRDMDANVLPVLLRLQELTNLNLCVILLSQLPFEKFYNKTGLSEIVCLHLAQYNKAETQRILGSDFQQVRNQLLEQKKRLEICQEAVTEDFYNNYLNLFLSVFYKACRDVPELQLTARKCLSTYLEPVLDGTSRLWRHIAGPLRSALTQI-YMRIESLELPYYAKFLLIAAFLASHNAAKQDKRLFSTTLGPKSFSIDRLLAIFYAILEEKVGLTCNLLSQISTLVHLNLLSFVSGEQNIMEG---------------------SARLQCTIG----------------LEFVLQIGKVVGFN--VRQYLCD--

General information: TITO was launched using: RESULT: Template: 4XGC.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1562 5471 3.50 14.36 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain E : 0.68 3D Compatibility (PKB) : 3.50 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.255

(partial model without unconserved sides chains): PDB file : Tito_4XGC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XGC-query.scw PDB file : Tito_Scwrl_4XGC.pdb: