Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPHYWPDMPFDYLEWLVPVLPESWLISLYEQAKAQKTTHLHDDPYVRPVIRIS-----------DKIAVKCGHGV----------APGEAATQQYAYQHLDRRVVRVPRVYRYFQVKSNSSWPIGYIFMEYIPGKTLEEVD-----------L---NNDDISKRLADIVSELATVSGGAIP-GQINGGTLEGYLWGDDGT-KDV-FRSV---DDMNHWLNRRLKLLNKEIDL--RPYPLVLCHLDLCRRNIKLLDDDSLCLLDWGHSGFFPRFYEVAAAQCINDDG-A--------------YIRSLSNAVKNKANLSEDEEKCVWLILRARAASLRYIFEPRENNLRTLADIESLPPLPPLPPVEPLPHK 3ATS Chain:A ((28-328)) ---------------------------------------VDSTGMSSETIILTARWQQDGRSIQQKLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGEL---TDVPVPRVRWIETTGD--VLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSFLT-----DTTLHRHFNWVRSWYDFAVEGIGRSPLLERTFEWLQSHWPDDAAAREPVLLWGDARVGNVLYRDFQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQALTGVELGDLHWFYVYSGVMWACVFMRTGARRV--------------------------

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 : 952 -5807 -6.10 -24.40 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -6.10 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.296

(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: