Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------MEEKNLTVIGSYSTREEALSVIERLRNEGYE------RDDIVIYTTDEAASRLGFDGLSGIDVETDENRMDGEEDRSLWEKIKDTFSFDTYDSETATPENDPLYQYR-GDIS----------DGKFVITVKGYRQPETTEDTMDTQDTVSPASTMGTGLETGTGTDPMDVGGTTGFQNTTDPLNMTPGTDPMDVPGETDTMGTSKTEDIDRKPNLDDDTIQLKEEKLDVNTHDVTTGEVDIHKHVVNDTETVE------VPVKREEIVIERKPVTDQSSQGTDEKL--EDDTITIPIKEEQVDVSKHTVIREEVGIHKEEHEDVEKVTEDVSREELDIDTSGDVHIEDRNKKS- 3TNF Chain:B ((3-381)) LDEYEQAIKRAQENIKKGEELEKKLDKLERQGKDLEDKYKTYEENLEGFEKLLTDSEELSLSEINEKMEAFSKDSEKLTQLMEKHKGDEKTVQSLQREHHDIKAKLANLQVLHDAHTGKKSYVNEKGNPVSSLKDAHLAINKDQEVVEHEGQFYLLQKG-QWDAIKNNPAALEKAQKDYSQSKHDLAT-IKMEALIHKLSLEMEKQLETINNLIMSTDPKENEEATKLLHKHNGLNLKLANLQDMLAVHRKEKSFFNEKGEEVTSLNDAHYVIGKDQQLFNLGGKFYPIHKEQKILEKDGKFYLLKQGEDWESIKDSPEKQKKAEHDFHKLQYETPMTVKKLVHHNKGLETTIHKERVEETKQQLEDNGKEKIEIANNISK

General information: TITO was launched using: RESULT: Template: 3TNF.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 : 1001 143952 143.81 441.57 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : 143.81 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.145

(partial model without unconserved sides chains): PDB file : Tito_3TNF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TNF-query.scw PDB file : Tito_Scwrl_3TNF.pdb: