Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALIDLEDKIAEIVNREDHSDFLYELLGVYDVPRATITRLKKGNQNLTKRVGEVHLKNKVWFKEAKKGKLFDALIDIEQQVEYLSAKPRYLLVTDYDGVLAKDTKTLEALDVKFEELPQYFDFFLAWKGIEKVEFEKENPADIKAAERFARIYDVLRKENNIIETNRGLDLFLIRL--LFCFFAEDTDIFKRNSFTNLIKTLTEEDGSNLNKLFADLFIVLDKNERDDVPSYLKEFPYVNGQLFTEPHTELEFSAKSRK-LIIECGELLNWAKINPDIFGSM---IQAVASEESRSYLGMHYTSVPNIMKVIKPLFLDKLNQSFLDAYDD-------YTKLENLLTRIGKIKFFDPACGSGNFLIITYKELRRMEINIIKRLQELLGEYLYVPSVTLSQFYGIEIEDFAHDVAKLSLWIAEHQMNEELKNEVHNAVRPTLPLHTAGDIRCANAIRVEWTEVCPAQGSEEVYVFGNPPYLGSKKQNKEHKSDMLSIFGKV-KNGKMLDYISAWFYFGAKYASTTNAKVAFVSTNSVTQGEQVSILWNELFKFGIQINFAYKSFKWANNAKNNAAVIVVIVGFGPLDTKVNKYLFVDETKKLVSNISPYLTDGENILVSSRTKPISDLPKLHFGNMPNDGGGLLFTITEYTDA-INKYPELVPYFKKFIGSVEFINGGLRYCLWLNEAKYEKIKSNP-----------LIQERISISKNHREKSTDKGTNKLALTPWKFRDTHETTNYSIVV--PSVSSENRFYIPMGLAGADTILSNLIYVIYDAEIYLLGILMSRMHMTWVKAVAGRLKTDYRYSAGLCYNTFPIPELSTRRKNEIEEAILEILDLREEQGGTLAELYNPSTMPIELKVAHEKLDGIVERAYRQKQFESDEERL--EVLLKLYQEMTER 4WRT Chain:B ((10-758)) MNINPYFLFIDVPIQAAISTTFPYTGVPPYS--------HGTGTGYTIDTVIRTHEYSN-------------------KGKQYISDVTGCTMVDPTNGPLPEDNEPSA-----------YAQLDCVLEALDRMDEE--HPGLFQAASQNAMETLMVTTVDKLTQGRQTFDWTVCRNQPAATALNTTITSFRLND-------LNGADKGGLIPFCQDIIDSLDRP---------------EMTFFSVKNIKKKLPAKNRKGFLIKRIPMKVKDKITKVEYIKRALSLNTMTKDAERGKLKRRAIATAGIQIRGFVLVVENLAKNICENLEQSGLPVGGNEKKAKLSNAVAKMLSNCPP--GGISMTVTGDNTKWNECLNPRIFLAMTERITRDSPIWFRDFCSIAPVLFSNKIARLGKGFMITSKTKRLKAQI-----PCPDLFS----------------------------------IPLERYNEETRAKLKKLKPFFNEEGTAS--LSPGMMMGMFNMLSTVLGVAALGIKNIGNKE---YLWD-----GLQSS---DDFALFVNAKDEETCMEGINDF----YRTCKLLGINMSKK--------------------------------KSYCNETGMFEFTSMFYRDGFVSNFAMELPSF-----GVAGVNESADMAIGMTIIKNNMINNGMGPATAQTAIQLFIADYRYTYKCHRGDSKVEG-KRMKIIKELWENTKGRDGLLVADGGPNIYNLRNLHIPEIVLKYNLMDPEYKGRLLHPQNPFVG------HLS-IEGIKEADITKMDYDAVSGTHSWRTKRNRSILNTDQRNMILEE-QCYAKCCNLFEACFNSASYRKPVG-QHSMLEAMAHRLRMDARLDYESGRMSKDDFEKAMAHLGEI

General information: TITO was launched using: RESULT: Template: 4WRT.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 : 3209 -174573 -54.40 -245.19 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -54.40 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.201

(partial model without unconserved sides chains): PDB file : Tito_4WRT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WRT-query.scw PDB file : Tito_Scwrl_4WRT.pdb: