Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIAIAGAGAMGSRFGLMLHQSGNEVLLIDGWAEHVQQIKEHGLQANFNGKEVEAKLPIVLQSEVEKEDQVDLIILFTKAMQLEKMLQDIQSLIKKDTEVLCLLNGIGHEDIIEKFVPMENIYIGNTMWTAGLEGPGQVKLFGSGSVELQNLGDGKEAAAKKLADKLSESGLNAHFSDNIHYSIYRKACVNGTMNGLCTILDVNMAELGKTSTAHKMVATIVNEFAKVAAVEKIELDVPEVIAHCESCFDPETIGLHYPSMYQDLIKNHRLTEIDYINGAISRKGKKYGVATPYCDFLTELVHAKEDSLNVK 3HWR Chain:B ((20-316)) MKVAIMGAGAVGCYYGGMLARAGHEVILIARPQ-HVQAIEATGLRLETQSFDEQVKVSAS--SDPSAVQGADLVLFCVKSTDTQSAALAMKPALAKSALVLSLQNGVENADTLRSLLEQ-EVAAAVVYVATEMAGPGHVRHHGRGELVIEPTS-----HGANLAAIFAAAGVPVETSDNVRGALWAKLILNCAYNALSAITQLPYGRLVRGEGVEAVMRDVMEECFAVARAEGVKLPD-DVALAIRRIAE--TMPRQSSSTAQDLA-RGKRSEIDHLNGLIVRRGDALGIPVPANRVLHALVRLIEDKQQ--

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 -215946 -130.48 -727.09 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -130.48 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.525

(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: