Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAELNKTKVRKELRTERPSIYSFELDEIKQWLTDNGEKPFRAAQIFEWLY--EKRVSSFE---DMTNLSKDLREKLNTRFVL-------TTLKTAVKQTSQDGTMKFLFELHDGYT----------IETV-------LMRHEYGNSVCVTTQVGCRIGCTFCASTLGG--LKRNLEAGEIVAQVVKVQKALDETDERVSSVVIMGIGEPFDNF-NEMLAFLKIINHDKGLNIGARHITVSTSGIIP-----KIYEFADQQMQINFAISLHAPNTEIRSRLMPINRAYKLPDLMEAVKYYINKTGRRISFEYGLFGGVNDQVEHAEELADLLEGVKC-HVNLIPVNYVPERDYVRTPRDQIFAFEKTLKSRGVNVTIRREQGHDIDAACGQLRAKERQDETR 2A5H Chain:A ((10-316)) -------------------------------------KDVSDADWNDWRWQVRNRIETVEELKKYIPLTKEEEEGVAQCVKSLRMAITPYYLSLIDPNDPNDPVRKQAIPTALELNKAAADLEDPLHEDTDSPVPGLTHRYP--DRVLLLITDMCSMYCRHCTRRRFAGQSDDSMPMERIDKAIDYIRNT-----PQVRDVLLSG-GDALLVSDETLEYIIAKLRE-IP-HVEIVRIGSRTPVVLPQRITPELVNMLKKYHPVWLNTHFNHPNEIT-------------EESTRACQLLAD-AGVPLGNQSVLLRGVNDCVHVMKELVNKLVKIRVRPYYIYQCDLSLGLEHFRTPVSKGIEIIEGLR---------------------------------

General information: TITO was launched using: RESULT: Template: 2A5H.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 : 1292 -146194 -113.15 -543.47 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -113.15 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.454

(partial model without unconserved sides chains): PDB file : Tito_2A5H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2A5H-query.scw PDB file : Tito_Scwrl_2A5H.pdb: