Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------MNTSIEQKPFNRSVIVGILLAGAFVAILNQTLLITALPHIMRDFNVDANQAQWLTTSFMLTNGILIPITAFL-IEKFTSRALLITAMSIFTAGTVVGAFA--PNFPVLLTARIIQAAGAGIMMPLMQTVFLTIFPIEKRGQAMGMVGLVISFAPAIGPTLSGWAVEAFSWRSLFYIILPFAVIDLILASILMKNVTTLRKTQIDILSVILSTFGFGGLLYGFSSVGSYGWSSSTVLISLLVGVIALLLFITRQMKLKKPMLEFRVFTFGVFSLTTLLGTLVFALLIGTETILPLYTQNVRDVTAFDTGLMLLPGAVVMGFMSPIIGRIFDRVGGRGLAIAGFCIIFLTSLPFMQLTDHTSLAWIVVLYTVRLLGTAMIMMPVTTAGINALPRHLIPHGTAMNNTIRQVGGSIGTAL-----LVSVMSNQAAHAGTTNVKHAALHGMNAAFIVAAVIALVGFLLSFTLKKPQRPAEQQPAR 4BWZ Chain:A ((3-386)) GAEHLLEIFYLLLAAQVCAFIFKRLNQPVVIGEVLAGVLVG--------PALLGLVHEGEILEFLAELGAVFLLFMVGLETRLKDILAVGKEAFLVAVLGVALPFLGGYLYGLEIGFETLPALFLGTALVATSVGITARVLQE--------------LGVLS-----------------------RPYSRIILGAAVIDDVLGLIVLACVNGVAET------------------------GQVEVGAITRLIVLSVVFVGLAVFLSTLIA-RLPLERLPVGS-----------PLGFALALGVGMAALAASIGLAPIVGAFLGGMLLSEV-----------REKYRLEEPIFAIESFLAPIFFAMVGVRL-ELSALASPVVLVAGTVVTVIAILGKVLGGFLGALTQG------------VRSALTVGCGMAPRGEVGLIVAALGLKAGAVNEEEYAIVLFMVVFTTLFAPFALKPLIAWTERERAAKE------

General information: TITO was launched using: RESULT: Template: 4BWZ.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 : 1921 -335241 -174.51 -928.64 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -174.51 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.348

(partial model without unconserved sides chains): PDB file : Tito_4BWZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BWZ-query.scw PDB file : Tito_Scwrl_4BWZ.pdb: