Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIISKHLSVSYDNNLVLEDINLRLEGSGIIGILGPNGAGKSTLMKALLG-LVDSTGESGIGGDLL-----PLMGRVAYVEQKTNIDYQFPITVGECVSLGLYKERGLFKRLSKTDWEKVSRVIDQVGLRGFENRPINALSGGQFQRMLMARCLVQ------EADYIFLDEPFVGIDSISEQIIVNLLKKLSKAGKL-ILVVHHDLSKVDHYFDQVIILNR-HLIACGPIDQAFTRENLSAAYGDAILLGQGD 4G1U Chain:C ((11-245)) LLEASHLHYHVQQQALINDVSLHIASGEMVAIIGPNGAGKSTLLRLLTGYLSPSHGECHLLGQNLNSWQPKALARTRAVMRQYS-ELAFPFSVSEVIQMGRAPYGG------SQDRQALQQVMAQTDCLALAQRDYRVLSGGEQQRVQLARVLAQLWQPQPTPRWLFLDEPTSALDLYHQQHTLRLLRQLTRQEPLAVCCVLHDLNLAALYADRIMLLAQGKLVACGTPEEVLNAETLTQWYQADLGVSRHP

General information: TITO was launched using: RESULT: Template: 4G1U.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output 3D Compatibility (PKB) -173073 for 1723 contacts (-100.4/contact) + 2D Compatibility (PS) -23161 + (NN) -7026 + (LL) 824 1D Compatibility (HY) -18000 + (ID) 3500 Total energy: -223936.0 ( -129.97 by residue) QMean score : 0.533

(partial model without unconserved sides chains): PDB file : Tito_4G1U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4G1U-query.scw PDB file : Tito_Scwrl_4G1U.pdb: