Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLVPRFRKQWFAYLTVLCLALAAAVSFGVPAKAAENPQTSVSNTGKEADATKNQTSKADQVSAPYEGTGKTSKSLYGGQTELEKNIQTLQPSSIIGTDERTRISSTTSFPYRATVQLSIKYPNTSSTYGCTGFLVNPNTVVTAGHCVYSQDHGWASTITAAPGRNGSSYPYGTYSGTMFYSVKGWTESKDTNYDYGAIKLNGSP--GNTVGWYGYRTTNSSSPVGLSSSVTGFPCDKTFG----TMWSDTKPIRS---AE----------TYKL-----TYTTDTYGCQSGSPVYRNYSDTGQTAIAIHTNGGSSYNLGTRVTNDVFNNI---QYWANQ 2ZGC Chain:A ((8-226)) ---------------------------------------------------------------------------------------------------------IPHSRPYMASLQ--R-----NGSHLCGGVLVHPKWVLTAAHCLAQRM----AQLRLVLGLHTLDSPGLTFHIKAAIQHPRYKPVPALENDLALLQLDGKVKPSRTIRPLALPSKRQVVAAGTRCSMAGWGLTHQGGRLSRVLRELDLQVLDTRMCNNSRFWNGSLSPSMVCLAADSKDQAPCKGDSGGPLVCGKG---RVLAGVLSFS--SRVCTDIFKPPVATAVAPYVSWIRK

General information: TITO was launched using: RESULT: Template: 2ZGC.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 : 1045 -110316 -105.57 -574.56 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -105.57 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.239

(partial model without unconserved sides chains): PDB file : Tito_2ZGC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ZGC-query.scw PDB file : Tito_Scwrl_2ZGC.pdb: