Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPAVPHSSLNPV-LIQLEQVSVHRDQRDILKKVDFALHENEIVTLIGPNGAGKSTLIKVLLGILKPSSGRV---------ISNKKLKMAYVPQKFNPSHSLPLRVQDLLDLEKC-------SPALRQEIIQDTGIAKLQQSKVQQLSGGERQRVLLARALLR------KPDILVLDEPMQGLDIQSEAELYEYVRSLPERYGCAILIVSHDLQWVMQGTQRVVCL--NKHICCSGLPESIQQHPE----YQAIFGTHRVFYQHHHDHCAHGDAAHPCPHNNRPHIHPEPEA 4G1U Chain:C ((5-253)) -------AVTPVALLEASHLHYHVQQQALINDVSLHIASGEMVAIIGPNGAGKSTLLRLLTGYLSPSHGECHLLGQNLNSWQPKALARTRAVMRQYSELAFPFSVSEVIQMGRAPYGGSQDRQAL-QQVMAQTDCLALAQRDYRVLSGGEQQRVQLARVLAQLWQPQPTPRWLFLDEPTSALDLYHQQHTLRLLRQLTRQEPLAVCCVLHDLNLAALYADRIMLLAQGKLVAC-GTPEEVLNAETLTQWYQADLGVSR---------------------------------

General information: TITO was launched using: RESULT: Template: 4G1U.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1098 5194 4.73 23.61 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain C : 0.75 3D Compatibility (PKB) : 4.73 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.487

(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: