Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTRKETIQFGAIIHGVGGTTDGWRHPDINPAASTDLDFYKTRAKIAEQGLFSFVFIADGLFISEKSIPHFLNRFEPITILSALAESTENIGLVGTFSTSFTEPFTLARQLSSLDHISSGRAGWNLVTSPQEGAARNHSKKNLPTHSDRYTIAAEHLKVVRGLWNSWEEDAFTYNKETGEFFNPEKLHHLNHQGEYFQVEGPLNIGRSKQGEPVVFQAGASSTGRDFAAQNAEAIFTHSDSLEEAVEFYRDVKSRAEKAGRNADEVRIFPGISPIVADTLEEAEAKYTEFASLIPIENAVTYLARYFDDYDLSQFDLDAPFPDLGDIGKNAFQSTTDRIKKEAKERHLTLRQVATEAATPKTPFIGTKEQVADLIEVWFQNEAADGFIIASDIPGTFETFVEQVIPLLQSRGLYRNEYPATTLRGNLGLTIPQNKQAVETK |
1YW1 Chain:A ((3-431)) | --RADFIQFGAMIHGVGGTTDGWRHPDVDPSASTNIEFYMKKAQTAEKGLFSFIFIADGLFISEKSIPHFLNRFEPITILSALASVTKNIGLVGTFSTSFTEPFTISRQLMSLDHISGGRAGWNLVTSPQEGAARNHSKSNLPEHTERYEIAQEHLDVVRGLWNSWEHDAFIHNKKTGQFFDQAKLHRLNHKGKYFQVEGPLNIGRSKQGEPVVFQAGSSETGRQFAAKNADAIFTHSNSLEETKAFYADVKSRAADEGRDPSSVRIFPGISPIVADTEEEAEKKYREFAELIPIENAVTYLA------------------------------------REAKARNLTLREVAQEMAFPRTLFIGTPERVASLIETWFNAEAADGFIVGSDIPGTLDAFVEKVIPILQERGLYRQDYRGGTLRENLGLGIP--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1YW1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -166553 for 3325 contacts (-50.1/contact) +
2D Compatibility (PS) -42427 + (NN) -20035 + (LL) 2280
1D Compatibility (HY) -42400 + (ID) 15000
Total energy: -284135.0 ( -85.45 by residue)
QMean score : 0.542
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