Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MKIRIIGSVGSGKTTLAKKLSEWYQIDYFETDRIVWKREGIEVRRTDIE---------KIAVLNKILQQENWII---EGVHLEAWVNESFDQADVIIFLNLPKKQIRSQLIKRQIKQLLRLEAAHYQVKLNMLNKMFYWDDLFDQRTKPLIAEKMAQTPTKWLVVTEKTALQEIQKKLLQIISSRDIL 1SHK Chain:A ((1-173)) MTEPIFMVGARGCGKTTVGRELARALGYEFVDTDIFMQHTSGMTVADVVAAEGWPGFRRRESEALQAVA-TPNRVVATGGGMVLLEQNRQFMRAHGTVVYLFAPAEELALRL------------QIAEEMEAVLREREALYQDVAH------------------YVVDATQPPAAIVCELMQTMRLPAA-

General information: TITO was launched using: RESULT: Template: 1SHK.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output 3D Compatibility (PKB) -53303 for 1104 contacts (-48.3/contact) + 2D Compatibility (PS) -15492 + (NN) -6459 + (LL) 3448 1D Compatibility (HY) -6400 + (ID) 1250 Total energy: -79456.0 ( -71.97 by residue) QMean score : 0.433

(partial model without unconserved sides chains): PDB file : Tito_1SHK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SHK-query.scw PDB file : Tito_Scwrl_1SHK.pdb: