Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSGRALLNDTWAVVTTPRPIVDAVVR-SVCGR--AVERLV--PLAGGGLNETYRAEFAG-------DVAVVVRIARRPT-------PWFIDEAHLMAQAAA-AGVPTAQVLGLEHLDHDGEPLSFSIQQFLPGRSLEELSG---------ELPAFALERVVAEAGEILARVHSVVPDDQR--GIQHELRLP-DEHE---VARVARIVATALGPAAAAVVERGANFLRQEVTTR--TAPPISLVHGDFCPKNLLIHDGTVAGFIDWEFAGPASPAYDFAQ-WEVDAG-E-PL-H---------DRVDLVRRGYARVADPGTADAGWTPAFAVDWSLEKLGWTNPAAPAQFRRCVDVIARYTVC 3ATS Chain:A ((5-297)) -------------------VISRWLSSVLPGGAAPEVTVESGVDSTGMSSETIILTARWQQDGRSIQQKLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETT-GDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSFLT-----DTTLHRHFNWVRSWYDFAVEGI-GRSPLLERTFEWLQSH-WPDDAAAREPVLLWGDARVGNVLYRDFQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQAL-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ATS.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 : 901 -23369 -25.94 -98.19 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -25.94 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.262

(partial model without unconserved sides chains): PDB file : Tito_3ATS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ats-query.scw PDB file : Tito_Scwrl_3ATS.pdb: