Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRLLPIKKLLGSTAGFRLASTKSSGTERLERLVEEVNGIKSKLKVLEESKAANGLVDLYASRKMKRLDIKRILSIFNDR---AYHAPIFCHKALPIILAHFITGLDKLPSGLNAMPSILAVRATLLRSFQKLINCKIP--ATDDQVQHFRRVLEDIDEEHAERDLLQTMAFGILELKEYVSSHRRALVDLKKTSERWASIPMTEENVLTYAEIQDIQAPLDSVNRCMITYNFISRMFLNHDPDMTMGS----NPRRIGMVDLEMNLEHVVRNAVDEAKQICTDHYGDCPDTEFEFTSD---SKAFRFPYMSTTIRYIILELMKNAFRATVDSHMKRNDVGMVTCADMPPVRVLINLQEGTEHACICISDEGMGMTDEALAMAMAYSYTSVSKPALQLGDSGEGCASTAPSPLAGYGYGLPMSRVYAQSLGGDLFLQTMEGYGTRAYYYIKIADAQPLCDEETK 3CRL Chain:B ((13-366)) -------------------------------------------------LAGAPKYIEHFSKFSPSPLSMKQFLD-FGSSNACEKTSFTFLRQELPVRLANIMKEINLLPDRVLSTPSVQLVQSWYVQSLLDIMEFLDKDPEDHRTLSQFTDALVTIRNRHND--VVPTMAQGVLEYKDTYGDD--------------------------PVSNQNIQYFLDRFYLSRIS----IRMLINQHTLIFDGSTNPAHPKHIGSIDPNCSVSDVVKDAYDMAKLLCDKYYMASPDLEIQEVNATNATQPIHMVYVPSHLYHMLFELFKNAMRATVESHES--------SLTLPPIKIMVA--LGEEDLSIKMSDRGGGVPLRKIERLFSYMYSTAP--------------------LAGFGYGLPISRLYAKYFQGDLQLFSMEGFGTDAVIYLKALSTD--------

General information: TITO was launched using: RESULT: Template: 3CRL.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 : 1423 -34672 -24.37 -104.43 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -24.37 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.553

(partial model without unconserved sides chains): PDB file : Tito_3CRL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CRL-query.scw PDB file : Tito_Scwrl_3CRL.pdb: