Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MKVFIILGAINALLAVGLGAFGAHGL----EGKIPDKYLQVWHTGVQYHMYHALGLFVV-----AFLADKLSGIGSVTTAGWLMFAGIVLFS--GSLYILSVTQISILGAITPLGGVAFII----SWIMIVVAAVKYL----------------------------------------------------------- 3TNF Chain:B ((3-381)) LDEYEQAIKRAQENIKKGEELEKKLDKLERQGKDLEDKYKTYEENLEGFEKLLTDSEELSLSEINEKMEAFSKDSEKLTQLMEKHKGDEKTVQSLQREHHDIKAKLANLQVLHDAHTGKKSYVNEKGNPVSSLKDAHLAINKDQEVVEHEGQFYLLQKGQWDAIKNNPAALEKAQKDYSQSKHDLATIKMEALIHKLSLEMEKQLETINNLIMSTDPKENEEATKLLHKHNGLNLKLANLQDMLAVHRKEKSFFNEKGEEVTSLNDAHYVIGKDQQLFNLGGKFYPIHKE-----QKILEKDGKFYLLKQGEDWESIKDSPEKQKKAEHDFHKLQYETPMTVKKLVHHNKGLETTIHKERVEETKQQLEDNGKEKIEIANNISK

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 : 129 -5143 -39.86 -43.58 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -39.86 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.193

(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: