Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRLVKQEYVLDGLDCSNCARKIENGVKGIKGINGCAVNFAASTLTVSADGKEEQWVTNKVEKKVKSIDPHVTVRQKHIKKSADDGYRNRMVNMLIRMAAAVILGAAAYLVQSGTIEFFLFLGAYLIIGGDIIIRAVKNIIRGQVFDEHFLMALATIGAFLIQQYPEGVAVMLFYQIGELFQGAAVSRSRKSISALMDIRPDYANLKTKNGIEQVSSEDVQTGDIIVVNPGESIPLDGKVVQGSAM--VDTSALTGESVPRKAAEGQDVMSGFINQNGVLHIEVTKGYQESAVSKILDLVQNASSRKARTENFITKFAKYYTPAVVIIAVLLAFVPPLVLSGAALSDWVYRALIFLVISCPCALVVSIPLGFFGGIGAASKAGVLVKGSNYLEALNQVKYAVFDKTGTLTKGSFEVTEIKPAEGFTKDRLLEAAAYAELHSQHPIAESVRKAYGKML-----SSDEIESYEEISGHGIFAKVNGTEILAGNKKLMER---------------EQIEDVPDENAGTIVHVAVDQRYA----------------------------GAIIIADEIKEDAAQAVADLKSLGIKQTAMLTGDSKQTGEAVGKQLGIG--------------------EVY---------AELLPQDKVAQVEALEAKLLPSEKLIFVGDGINDTPVLARADIGVAMGGLGSDAAVEAADIVLMTDQPSKIAEAIRIAKRTRRIVWQNIGFALGVKAIFLILGAFGIATM----------WEAVFSDVGVTLLAVANAMRVMRLKNK 1MHS Chain:A ((188-741)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LKEIEAPEVVPGDILQVEEGTIIPADGRIVTDDAFLQVDQSALTGESLAVDKHKGDQVFASSAVKRGEAFVVITATGDNTFVGRAAALVNAASGGSGHFTEVLNGIGTILL-ILVIFTLLIVWVSSFYRSNPIVQILEF-TLAITIIGVPVGLPAVVTTTMAVGAAYLAKKKAIVQKLSAIESLAGVEILCSDKTGTLTKNKLSLHDPYTVAGVDPEDLMLTACLAASRKKKGI-DAIDKAFLKSLKYYPRAKSVLSKYKVLQFHP-FDPVSKKVVAVVESPQGERITCVKGAPLFVLKTVEEDHPIPEE---------VDQAYKNKVAEFATRGFRSLGVARKRGEGSWEILGIMPCMDPPRHDTYKTVCEAKTLGL-SIKMLTGDAVGIARETSRQLGLGTNIYNAERLGLGGGGDMPGSEVYDFVEAADGFAEVFPQHKYNVVEILQQR---GYLVAMTGDGVNDAPSLKKADTGIAVEG-SSDAARSAADIVFLAPGLGAIIDALKTSRQIFHRMYAYVVYRIALSIHLEIFLGLWIAILNRSLNIELVVFIAIFADVATLAIAYDNA---------

General information: TITO was launched using: RESULT: Template: 1MHS.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 : 2134 -7665 -3.59 -16.48 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -3.59 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.304

(partial model without unconserved sides chains): PDB file : Tito_1MHS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1MHS-query.scw PDB file : Tito_Scwrl_1MHS.pdb: