Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKQSNIWLYFFGALGGALYGYDTGVISGAILFMKKELG----------LNAFTEGLV----VSSLLVGAILGSGAAGKLTDRFGRKKAIMAAALLFCIGGLGV---ALAPNTGVMVLFRIILGLAVGTSTTIVPLYLSELAPKHKRGALSSLNQLMITVGILLSYI--VNYIFADAEAWRWMLGLAAVPSLLLLIGILFMPESPRWLF-TNGEESKAKKILEKLRGTKDIDQEIHDIKEAEKQDEG----GLKELFD-PWVRPALIAGLGLAFLQQFIGTNTIIYYAPKTFTNVGFGNSASILGTVGIGTVNVLMTLVAIKIIDKIGRKPLLLFGNAGMVISLIVLALVNLFFDNTPAASWTTVICLGVFIVVFAVSWGPVVWVMLPELFPLHVRGIGTGVSTLMLHVGTLIVSLTYPILMEAIGISYLFLIYAAIGIMAFLFVRFKVTETKGRSLEEIEQDLRDKNGQGGAAGKQQTVGT 4YB9 Chain:D ((32-462)) -------------------YGYNVAAINSPSEFMKDFYAYTYYDRVGEYMNEFYLTLLWSVTVSMFPFGGFLGSLMVGPLVNNLGRKGTLLFNNIFSIVPALLMGFSELAKSFEMIIVARVLVGICAGLSSNVVPMYLGELAPKNWRGALGVVPQLFITIGILVAQIFGLRSLLANEEGWPILLGLTGIPAVLQLLFLPFFPESPRYLLIQKKDEAAAKSALRRL-------AEIEEILEEDRAEKAVGFISVLKLFKMRSLRWQVISIIVLMAGQQLSGVNAIYYYADQIYLSAGVNEDDVQYVTAGTGAVNVLITVCAIFVVELMGRRFLLLLGFSVCFTACCVLTGALALQDVISWMPYVSIACVISYVIGHALGPSPIPALLVTEIFLQSSRPAAYMVAGTVHWLSNFTVGLVFPFIQVGLG-AYSFVIFAVICLLTTVYIFLIIPE-------------------------------

General information: TITO was launched using: RESULT: Template: 4YB9.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1880 -184360 -98.06 -462.06 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain D : 0.76 3D Compatibility (PKB) : -98.06 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.386

(partial model without unconserved sides chains): PDB file : Tito_4YB9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YB9-query.scw PDB file : Tito_Scwrl_4YB9.pdb: