Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAHKHKLDSILDFPEASEREDNIIELKTWMSRLRCNKDDQIKSNSVVNAELILTNDSNLAGTIAYNEFSGYIHLLKDSPWINRTAGEWEDSFEDALTAYIEENYNVVFDDNKIHKAVVNVARKNVFNPVKERIEKVKWDQQPRLETLFIDLLGVDDNLYTREVTKRWIVGSVARIYKPGIKFEIVPVLDGPQGIGKSTVPALLYT--D--D--FFTDSLDSLGEK---KD-----------------DYMQLQGNVIIELGELSSMNKTKIEQIKNFISAKIDKIRPPYGRNVIAWARQCVFIGTSNDGQYLKDDTGNRRFYPLPCKNKPKMNPFKTKDEYFLQVLAEAKVLFDKGQRIYFSPDEDKEVLEIAKDYQEDAKMENPIKEAITKYLEMEIPYKWEEAPAWARRSYYQNYPDSKCNEKNLQHFYNGATMQQEFYLVDSVLTADILEAVFDKQAKDLLNGRSDAETKKIALIISSIPGWERKQLPKRNKRRGFYNKSNAYENKNRAGKYKK 4BS1 Chain:B ((25-146)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------CPVLITGESGVGKEVVARLIHKLSDRSKEPFVALNVASIPRDIFEAELFGYEKGAFTGAVSSKEGFFELADGGTLFLDEIGELSLEAQAKLLRVIESGKFY----RLGGRKEIEVNVRILAATNRN----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4BS1.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 : 289 5826 20.16 60.69 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.58 3D Compatibility (PKB) : 20.16 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_4BS1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BS1-query.scw PDB file : Tito_Scwrl_4BS1.pdb: