Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKNIGGMKMIKGSIVALITPMNEEGSVDYAGLEKLIQFHLDEQTDGLLVLGTTGESSTLTQSEEEQILQLTVKKVAGRVPVIAGAGTNNTKETIEKAKHFASLGADALLVITPYYNKTSDAGLAAHFTAIAEASPIPLILYNVPSRTGMSIPIHVLVNLAEHPNIIGLKEASGDMAYVMDAARLIGEEFFLYSGNDDLILPVMSVGGSGVISVWANIQPKIVHELVKDTQDGRWQQAKEKQLNALELIHALFSETNPIPVKAAMSLLDL-PSGPLRLPLVSLSKEKKKQLAQLLLKERTVEK 2ATS Chain:A ((1-286)) ---------MFTGSIVAIVTPMDEKGNVCRASLKKLIDYHVASGTSAIVSVGTTGESATLNHDEHADVVMMTLDLADGRIPVIAGTGANATAEAISLTQRFNDSGIVGCLTVTPYYNRPSQEGLYQHFKAIAEHTDLPQILYNVPSRTGCDLLPETVGRLAKVKNIIGIKEATGNLTRVNQIKELVSDDFVLLSGDDASALDFMQLGGHGVISVTANVAARDMAQMCKLAAEGHFAEARVINQRLMPLHNKLFVEPNPIPVKWACKELGLVATDTLRLPMTPITDSGRETVRAAL--------

General information: TITO was launched using: RESULT: Template: 2ATS.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 : 1712 -175067 -102.26 -614.27 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -102.26 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.583

(partial model without unconserved sides chains): PDB file : Tito_2ATS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ATS-query.scw PDB file : Tito_Scwrl_2ATS.pdb: