Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRILHTADWHLGKTLEGRSRLSEQADVLDELNTIVKDEQIDAIVMAGDAFDTVNPPALAEQLFYESLSALSDRGKRPIVVIAGNHDNPDRLSAASPLTHENGIHLIGY----PTTEPIHIEVPSAGELLAVGALAYP-----SEARLNEVLSDTFDEKLLRDHYDVKIRQAFEHMTSRFRTDAVK--IAASHIYVAGGNQTDSERPIEVGGAYTVAAESLPADAAYVALGHLHRPQTIKRARTLARYSGSPLAYSFSEAGYAKSVTIVDAKPGEEATWQEVLLSSGKPL--VKWKAANGLSEVYSWLDEGRDQNAWIDLEIRVADQLSLEEIHRLRKAHPGFIHIRPVFEEQNKDRERIEVKHVSIEDRFKKFYEKQTGGAVPDEEMVKLFLELASGVEEEDAK 4LTY Chain:C ((15-331)) MRILHTSDWHLGQNFYSKSREAEHQAFLDWLLETAQTHQVDAIIVAGDVFDTGSPPSYARTLYNRFVVNLQQTGCH-LVVLAGNHDSVATLNESRDIMAFLNTTVVASAGHAPQILPRRDGTP--GAVLCPIPFLRPRDIITSQ------EKQQHLLAAITDYYQQHYADA-----CKLRGDQPLPIIATGHLTTVGASKSDAVRDIYIGTLDAFPAQNFPP-ADYIALGHIHRAQIIGGMEHV-RYCGSPIPLSFDECGKSKYVHLVTFSNGKLESVENLNVPVTQPMAVLKGDLASITAQLEQ-----QEPPVWLDIEI--DEYL-----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4LTY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1545 -145924 -94.45 -501.46 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain C : 0.72 3D Compatibility (PKB) : -94.45 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.367

(partial model without unconserved sides chains): PDB file : Tito_4LTY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LTY-query.scw PDB file : Tito_Scwrl_4LTY.pdb: