Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVIVLGSGVIGVASAYYLARQGAEVTVLDRQSGPAEETSFGNAGQISPGYSTPWAAPGIPFKAVKWMFQHHAPLAINLDGSMWQLQWMAQMLKNCNPQSYAVNKERMMRVAEYSRDCLRELRKDTGIHYENRAKGTLQLFRKEAQMEAVQRDISVLEECGVSYELLNGNELGRVEPALANAQDKLVGGLHLPNDETGDCYLFTNALAQIAKELGVNFQFNQNVEKLIVEGDQIKGVQVNGKVLTADRYVLAFGSYSRDFLKPLDL--QLPVYPVKGYSLTIPIVAPA-FAPQSTVLDETYKIAITR-FDQRIRVGGMAELSG-FNLGLNEDRHATLQMVTQDLFP-GGDMEQASFWTGLRPMTPDSTPIIGATR-FKNLFLNTGHGTLGWTMACGSGKLISDIVLNHKTDISTDGLSIQRYSHAHAA 1Y56 Chain:B ((6-372)) SEIVVIGGGIVGVTIAHELAKRGEEVTVIEKRF-IGSGSTFRCGTGIRQQFNDE----------------------------------------------------ANVRVMKRSVELWKKYSEEYGFSF--KQTGYLFLLYDDEEVKTFKRNIEIQNKFGVPTKLITPEEAKEIVPLLDI--SEVIAASWNPTDGKADPFEATTAFAVKAKEYGAKLLEYTEVKGFLIENNEIKGVKTNKGIIKTGIVVNATNAWANLINAMAGIKTKIPIEPYKHQAVITQPIKRGTINPMVISFKYG-HAYLTQTFHGGIIGGIGYEIGPTYDLTPTYEFLREVSYYFTKIIPALKNLLILRTWAGYYAKTPDSNPAIGRIEELNDYYIAAGFSGHGFMMAPAVGEMVAELITKGKTKLPVEWYDPYRFERG---

General information: TITO was launched using: RESULT: Template: 1Y56.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 : 2214 -123876 -55.95 -344.10 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -55.95 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.416

(partial model without unconserved sides chains): PDB file : Tito_1Y56.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1Y56-query.scw PDB file : Tito_Scwrl_1Y56.pdb: