Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKNTENVRIIALGGVGEIGKNLYVIEIDSDIFVVDAGLMHPENEMLGIDVVIPDISYLIERADRVKAIFLTHGHDENIGGVFYLLNKLS-VPVYGTKLTLALLREKLKQYGHNRKTDLREIHSKSVITFESTKVS-FFRTIHSIPDSVGVSFKTSLGSIVCTGDFKFDQTPALNQ--TCDIGEIAKIGNSGVLALLSDSANAERPGYTPSEAAVSGEISDALYNSQNRVIIAVFASNINRIQQVIHAAAQNGRKIAVAGKNLQSVLQLARKLGYIEADDELFISVQDVKKYPKREVAIITAGSQGEPLAALTRMANKAHKQLNIEEGDTVVIASTPIPGQELIYSKTVDLLARAGAQVIFAQK-RVHVSGHGSQEELKLMINLLKPKYLIPVNGEYRMQKAHSKIAEETGMKRSDIFLIEKGDVVEFRGQNVKIGDKVPYGNILIDGLGVGDIGNIVLRDRRLLSQDGILIVVITLDKQKKHLVSGPEIITRGFVYVRESEGLIVQATELVRSIVTEATETSNVEWSTL---KQAMRDALNQFLYEKTKRKPMIIPIIMEV 4XWW Chain:B ((18-558)) -------TLEVIPLGGMGEIGKNITVFRYGDEIVVVDGGLAFPKAHQMGIDLIVPRIDYLLEHQDKIKGWILTHGHEDHIGGLPYIFARLPRVPVYGLPLTLALVREKLSEFGL-QDVDLREVTYGDEVRFGQSFVAEFFCMTHSIPDNAGYILKTPVGDVLHTGDFKIDPDVGTGAGIVSDLERVEQAGKDGVLLLISDSTNAERPGHTPSEAEIARNLEEIIKGCRGRVFLTTFASQVYRIQNILDLAHRQGRRVVMEGRSMIKYAQAAQATGHMNPP-EPFLTSEEVGELQDQQVLFVCTGSQGQPMAVLGRLAFGTHAKIALRRGDTVILSSNPIPGNEDAVNLIVNRLYEIGVDVVYPPTYRVHASGHASQEELATILNLTRPKFFLPWHGEPRHQINHAKLAQTLPRPPKRTLIAKNGDIVNLGPDEFRVSGTVAAGAVYVDGLGVGDVNDDVLLDRVNLSQEGLLILTAVL-----HPTPHVEVVARGF--ARPNRDLELQ----IRRVALEAVEQGLREKKRLEDVRDDMYGAVRRFTRKATGRNPVLIPMIV--

General information: TITO was launched using: RESULT: Template: 4XWW.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 3131 -363111 -115.97 -681.26 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -115.97 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.581

(partial model without unconserved sides chains): PDB file : Tito_4XWW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XWW-query.scw PDB file : Tito_Scwrl_4XWW.pdb: