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 4CXH Chain:A ((4-424)) ---------------------KPHMNLVVIGHVDHGKSTLVGHLLYRLGYIEEKKLKELEEQAKSRGK--ESFKFAWILDKMKEERERGITIDLTFMKFETKKYVFTIIDAPGHRDFVKNMITGASQADAAILVVSARKGEFEAGMSTEGQTREHLLLARTMGIEQIIVAVNKMDAPDVNYDQKRYEFVVSVLKKFMKGLGYQVDKIP----FIPVSAWKGDNLIERSPNMPWYNGPTLVEALDQLQPPAKPVDKPLRIPVQNV----YSIPG-AGTVPVGRVETGVLRVGDKVVFMPPGVVGEVRSIEMHYQQLQQAEPGDNIGFAVRGVSKSDIKRGDVAGHLDKPPTVAEEFEARIFVIW---HPSAITVGYTPVIHVHTASVSSRIIEIKAKLDPKTGQVVEQNPQFLKAGDAAIVRFKPVKPLVVEKFSEIPQLGRFAMRD--MNRTVGIGIV--------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4CXH.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 : 2270 -28976 -12.76 -73.17 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -12.76 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.497

(partial model without unconserved sides chains): PDB file : Tito_4CXH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CXH-query.scw PDB file : Tito_Scwrl_4CXH.pdb: