Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGSTQLTGRVIFKGDPGYTEAIKNWNPYVDVYPLVFVFAQNSYDVSNAIKWARENKVPLRVRSGRHALDKNLSVVSGGIVIDVSDMNKVFLDEENAIATVQTGIPVGPLVKGLARDGFMAPFGDSPTVGIGGITMGGGFGVLSRSIGLISDNLLALKTVDAKGRIIHADQSHNEDLLWASRGGGGGNFGYNTQYTFKVHRAPKTATVFNIIWPWEQLETVFKAWQKWAPFVDERL--GCYL-------EIYSKING---LCHAEGIFLGSKTELIRLLKPLLHAGTPTEADIKTLYYPDAIDFLDPDEPIPGRNDQSVKFSSAWGHDFWSDEPISIMRKFLEDATGTEANFFFINWGGAISRVPKDETAFFWRHPLFYTEWTASWKNKSQEDSNLASVERVRQLMQPYVAGSYVNVPDQNIENFGKEYYG-ANFARLREIKAKYDPENVFRFPQSIPPSR 4XLO Chain:C ((15-462)) --SAAFRGELIWPSDADYDEARRIWNGTIDRRPALIARCTSTPDVVAAVSFARKSGLLVAVRGGGHSMAGH-SVCDGGIVIDLSLMNSIKVSRRLRRARAQGGCLLGAFDTATQAHMLATPAGVVSHTGLGGLVLGGGFGWLSRKYGLSIDNLTSVEIVTADGGVLTASDTENPDLFWAVR-GGGGNFGVVTAFEFDLHRV-GPVRFASTYYSLDEGPQVIRAWRDHMATAPDELTWALYLRLAPPLPELPADMHGKPVIC-AMSCWIGDPHEGERQLESILHAGKPHGLTKATLPYRALQAYSFPGAVVPDR----IYTKSGYLNEL-SDEATDTVLEHAADIASPFTQLELLYLGGAVARVPDDATAYPNRQSPFVTNLAAAWMDPTEDARHTAWAREGYRALAGHLSGGYVNFMNPGEADRTREAYGAAKFERLQGVKAKYDPTNLFRLNQNIPPS-

General information: TITO was launched using: RESULT: Template: 4XLO.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2639 -84813 -32.14 -194.97 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain C : 0.77 3D Compatibility (PKB) : -32.14 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.592

(partial model without unconserved sides chains): PDB file : Tito_4XLO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XLO-query.scw PDB file : Tito_Scwrl_4XLO.pdb: