Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MAHKHKLDSILDFPEAS----EREDNIIELK-TWMSRLRCNKDDQIKSNSVVNAELILTNDSNLAGTIAYNEFSGYIHLLKDSP-----------------------WINRTAGEWEDSFEDALTAYIEENYNVVFDD----NKIHKAVVNVARK-NVFNPV--KERIEKVKWDQQPRLETLFIDLL-GVDDNLYTREVTKRWIVGSVARIYKPGIKFEIVPVLDGPQGIGKSTVPALLYTDDFF-----TDSLDSLGEKK-------DDYMQLQGNVIIELGELSSM-------------------NKTKIEQIKNFISAKIDKIRPPYG-------RNVI--AWAR---QCVFIGTSNDGQYLK-DDTGNRRFYPLPCKNKPKMNPFKTKDEYFLQVLAEAKVLF----DKGQRIYFSPDEDKEVLEIAKDYQED-----AKMENP--IKEAITKY-LEMEI-------PYKWEEAPAWARRSYYQNYPDSKCNEKNLQH----------------FYNGATMQQEFY---LVDSVLTADILEAVFDKQAK---DLLNGRSDAETKKIALIISSIPGWERK-------------QLPKRNKRR-----------GFYNKSNAYENKNRAGKYKK---- 5MQ6 Chain:A ((14-655)) PEDLKLHQLSQKYTAEAAKRFRPEGLGQFIRLKEVGNERFRALAEDPWVDHAALNAKEPVKDGSRYKFIILGAGYGGLLYAVRLAEAGLASGPDDILMVDAAGGFGGTWWWNRYPGLHCDVESYSYMPLLEETGYIPKSKYAAGPELLEHAYRIATQWKLHDKALFRSNVKTIRWDDESRLWSLEVTEGRGPGQQSRELKLQARYVLLASGILTNP-----QVPKIPGLETFTGPVFHTARWNYDVTGGSPTDEALNRLEGKRVGIIGTGATAIQVVPKLAKYAKELYVFQRTPSGVWWRGQRPTDPVEWKTKIARKKGWQRERMLNLDSYLTDAAEEGQENMVADGWTEMPAFSAVIGSPRHGIVEPTPEKIAEHLGRLYKLDLPHAEQVRARTDSIVKDPKTAAKLKAWYPTWCKRPTFS-DEYLQTFNLPNVHLVDTDGKGVDAANPSGLVVADKEYPLDILVLSTGYVTPSIGGGSPAVRTGVDIYGRGGKSLDDKWQTHGAATLHGVCSNGFPNLFFTPLSQSSQAANNAFTLDVGTEHIVQVIKTAEDRVDGDALVEVTSEAEEAWSFEIMKHAGWFASVTGCTPGYITSEGEAPMEMAKRARSGNLSQGMASYMKLLQEYRADGSLKGFDISSRA

General information: TITO was launched using: RESULT: Template: 5MQ6.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 2509 100744 40.15 207.72 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 40.15 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.126

(partial model without unconserved sides chains): PDB file : Tito_5MQ6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MQ6-query.scw PDB file : Tito_Scwrl_5MQ6.pdb: