Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIAIAGAGAMGSRIGLMLHQSGNEVLLIDRWPAHIEAIRTNGLIADFNGKEVVAKLPIYSPEEIIESNEHVDLIVALTKANQLDDMFCSIQSIITDNTYVLCLLNGLGHEDVLEKYVPKKNILFGITMWTAGLAGPGKVTLLGDGEIELENLEPEGEAFTKKVVEVFQEANLNPIYSHNVRYSIWRKACVNGTLNGLCTILDCNIAELGAQKAAESMVRTIVSEFASIAAKEGIILDQEEVYQHIASTYDPDNIGLHYPSMYQDLIKNHRLTEIDYINGAIWRKGQKYDIATPYCAFLTQLVHAKEGILGAE 3HWR Chain:B ((20-316)) MKVAIMGAGAVGCYYGGMLARAGHEVILIARPQ-HVQAIEATGLRLETQSFDEQVKVS-A--SSDPSAVQGADLVLFCVKSTDTQSAALAMKPALAKSALVLSLQNGVENADTLRSLLEQ-EVAAAVVYVATEMAGPGHVRHHGRGELVIEPTS----HGAN-LAAIFAAAGVPVETSDNVRGALWAKLILNCAYNALSAITQLPYGRLVRGEGVEAVMRDVMEECFAVARAEGVKLPDD-VALAIRRI--AETMPRQSSSTAQDLAR-GKRSEIDHLNGLIVRRGDALGIPVPANRVLHALVRLIEDKQQ--

General information: TITO was launched using: RESULT: Template: 3HWR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1655 -221746 -133.99 -746.62 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -133.99 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_3HWR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HWR-query.scw PDB file : Tito_Scwrl_3HWR.pdb: