Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSHQSDLISQDILAYLKQHEQKDLLRFLTCGNVDDGKSTLIGRLLYDSKLIYEDQLQAVTRDSKKVGTTGDAPDLALLVDGLQAEREQGITIDVAYRYFSTEKRKFIIADTPGHEQYTRNMATGASTADLAIILIDARYG-------VQTQTRRHTFIASLLGIKNIVVAINKMDL--VEYSSERFNEIQVEYDAFVSQLG---DRRPANILFVPISALNGDNVVNPSAHTPWYKGQTLMSILESVEINRESSKHEFRFPVQYVNRPNLDFRGFAGTVALGEI-----KVGDEIVALPSGKRSTVKEIVTFDGNLEQAVAGQAVTLTLN--DEIDISRGNVLVRAGEQPLISRSVRAS--VVWMNEHP--LVKGKLYNIKIGTQTVPAKVTNINYRVNVNTLEHTQVEELELNAIADVVVEFDA--PVVFDRYQDSRYTGSFIFIDRLSNVTVGAGMVEAAVELTAHSNPVTAEDRAARLGQKPAVIGVSAQLIEKSQALESLLIKQGVVAIAKTSLTAEQLVLLRETGVVIITTSVDGTDTEITAETVEEAVEKIVGLVRL 3WXM Chain:G ((6-427)) --------------------EKPHMNLVVIGHVDHGKSTLVGHLLYRLGYIEEKKLKELEEQAKSRGK--ESFKFAWILDKMKEERERGITIDLTFMKFETKKYVFTIIDAPGHRDFVKNMITGASQADAAILVVSARKGEFEAGMSTEGQTREHLLLARTMGIEQIIVAVNKMDAPDVNYDQKRYEFVVSVLKKFMKGLGYQVDKIP----FIPVSAWKGDNLIERSPNMPWYNGPTLVEALDQLQPPAKPVDKPLRIPVQNV----YSIPG-AGTVPVGRVETGVLRVGDKVVFMPPGVVGEVRSIEMHYQQLQQAEPGDNIGFAVRGVSKSDIKRGDVAGHLDKPPTVAEEFEARIFVIW---HPSAITVGYTPVIHVHTASVSSRIIEIKAKLDPKTGQVVEQNPQFLKAGDAAIVRFKPVKPLVVEKFSEIPQLGRFAMRD--MNRTVGIGIV--------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3WXM.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 2266 -25831 -11.40 -65.07 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain G : 0.72 3D Compatibility (PKB) : -11.40 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.496

(partial model without unconserved sides chains): PDB file : Tito_3WXM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WXM-query.scw PDB file : Tito_Scwrl_3WXM.pdb: