Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTRKETIQFGAIIHGVGGTTDGWRHPDINPAASTDLDFYKTRAKIAEQGLFSFVFIADGLFISEKSIPHFLNRFEPITILSALAESTENIGLVGTFSTSFTEPFTLARQLSSLDHISSGRAGWNLVTSPQEGAARNHSKKNLPTHSDRYTIAAEHLKVVRGLWNSWEEDAFTYNKETGEFFNPEKLHHLNHQGEYFQVEGPLNIGRSKQ-GEPVVFQAGASSTGRDFAAQNAEAIFTHSDSLEEAVEFYRDVKSRAEKAGRNADEVRIFPGISPIVADTLEEAEAKYTEFASLIPIENAVTYLARYFDDYDLSQFDLDAPFPDLGDIGKNAFQSTTDRIKKEAKERHLTLRQVATEAATPKTPFIGTKEQVADLIEVWFQNEAADGFII-ASDIPGTFETFVEQVIPLLQSRGLYRNEYPATTLRGNLGLTIPQNKQAVETK |
3RAO Chain:A ((18-366)) | --YFQGVEYGFWLPIFG----GWLRNVNDESMPPTFEYAKQTAQAAEQLGFSTTLIAELNLNDIKGV--SAPSLEAWTTAAALAAVTDRLEIMTAVRPGFHNPAVTAKMAANIDQLSNGRFTLNVVSAWWEEEAKQYGGV-FTAHDERYDRTEEFVTILKGLWKE---------------------EEFSYKGNFYELHHTHLSPKPVQKQGIKLYAGGESKRGKEVIVNHADAYVMHGGTVEEVSVKIEDMKNRRKKVTEEPL-QSFGLAAYVICRHTEEEALEEWRRITDVK--------------------FVSKSQLE-----------QQV-------KLNDYSVSNRGL-----RPNLIGTPEQIAERILAFEK-VGVTLLLLQFSPQLEEMKRFSEKVMPLVEAKR----------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3RAO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -123878 for 2790 contacts (-44.4/contact) +
2D Compatibility (PS) -36215 + (NN) -16661 + (LL) 5340
1D Compatibility (HY) -14400 + (ID) 3600
Total energy: -189414.0 ( -67.89 by residue)
QMean score : 0.429
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