Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDIKIKREEIMKKFSKTLRDNWIFLLMVLPGALWLILFFYIPVFGNVVAFKDYHMTSNGFIDSIINSKWVGLDNFRFLFSSRDAFIITRNTVLYNLGFIFLGLVVSVGIAIILSELRSKRMVKIFQTSMLFPYFLSWVIISFFTDAFLNIDKGVFNHLLESLGLKEVNFYADLGIWPYLLLFLGIWKGFGYSSVMYYATIMGIDPTYYEAATVDGASKWQRIRNVTIPQLTPLVTVLTILAVGNIFRADFGLFYQIPHNAGQLY--NVTNVLDVYVFNGLTQTADIGMAAAAGLYQSVVGLILVILSNLLARRVDPNSALF 4XTC Chain:M ((5-300)) --------------WKDIKRDWLLYAMLLPTIIWFLIFLYKPMIGLQMAFKQY----------------IGFDHFVTLFQSEQFIRAIKNTLTLSGLSLLFGFPMPILLALMINEVYSKGYRKAVQTIVYLPHFISIVIVAGLVVTFLSPSTGVVNNMLSWIGLDRVYFLTQPEWFRPIYISSNIWKEAGFDSIVYLAAIMSINPALYESAQVDGATRWQMITRITLPCIVPTIAVLLVIRLG----HILEVGFEYIILLYQPTTYETADVISTYIYRLGLQGARYDIATAAGIFNAVVALVIVLFANHMSRRITKTGV--

General information: TITO was launched using: RESULT: Template: 4XTC.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain M - contact count / total energy / energy per contact / energy per residue : 957 -155135 -162.11 -548.18 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain M : 0.79 3D Compatibility (PKB) : -162.11 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.277

(partial model without unconserved sides chains): PDB file : Tito_4XTC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XTC-query.scw PDB file : Tito_Scwrl_4XTC.pdb: