Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEIKLEHVSKKYGRHTAVNDVSITLSSGRIYGLIGPNGSGKSTTLKMMAGLLFPTSGFVKVDEEQVTREMV---RQTAYLTELDMFYPHFTVKDMVNF------YQSQFPDFHTEQVYKLLNEMQLNPEKKIKKLSKGNRGRLKIVLALARRADVILLDEPFSGLDPMVRDSIVNSLVSYIDFEQQIVVIATHEIDEIETLLDEVIILANGEKVAQREVEDIREQEGMSVLQWFKSKMEVC 4TQV Chain:C ((4-211)) -SVSIQNVVKRYDKTTVVHGVSLDIEPGEFVVLVGPSGCGKSTTLRMVAGLEEISGGTIRID-GRVINDLAPKDRDVAMVFQNYALYPHLNVRDNISFGLRLKRTKKSVIDAAVKTAADILG-LQPLLERKPSDLSGGQRQRVAMGRAIVRDPKVFLFDQPLSNLDAKLRTQMRAEIKRLHQRLGTTVIYVTHDQVEAMTLADRIVVMRDG------------------------------

General information: TITO was launched using: RESULT: Template: 4TQV.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 : 991 -130751 -131.94 -657.04 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain C : 0.75 3D Compatibility (PKB) : -131.94 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_4TQV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4TQV-query.scw PDB file : Tito_Scwrl_4TQV.pdb: