Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | REEQVTSEQAKFWLGLGGGRVSPPGPECIEKPATERRIDKGEEMGETTVQRDAKMAPEKMATPKTVGTSCYQCGTATGCNCVTASAPPPPYVGSGLYPSLAGAGEQGQGGDTPRGAEQPRAEPGHAGQAPGPALTDWARIREELASTGPPVVAMPVVIKTEGPAWTPLEPEDTRWLDGKHKRKSSQCLVKSSMSGYIPSCLDKDEQCVVCGDKATGYHYRCITCEGCKSFFRRTIQKNLHPTYSCTYDGCCVIDKITRNQCQLCRFKKCISVGMAMDLVLDDSKRVAKRKLIEENRER-RRKEEMIKSLQHRPSPSAEEWELIHVVTEAHRSTNAQGSHWKQRRKFLLEDIGQSPMASMLDGDKVDLEAFSEFTKIITPAITRVVDFAKNLPMFSELPCEDQIILLKGCCMEIMSLRAAVRYDPESETLTLSGEMAVKREQLKNGGLGVVSDAIF-DLGKSLSAFNLDDTEVALLQAVLLMSSDRTGLICVDKIEKCQESYLLAFEHYINYRKHNIPHFWSKLLMKVADLRMIGAYHASRFLHMKVECPTELSPQEV |
4NQA Chain:A ((38-332)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------CAICGDRSSGKHYGVYSCEGCKGFFKRTVRKDL--TYTCRDNKDCLIDKRQRNRCQYCRYQKCLAMGM-------------KREAVQEERQRG---------------SSANEDMPVERILEAELAVEPKTETY-EANMGLNPSSPNDPVTNICQA--ADKQLFT------------LVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIG----------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4NQA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -139446 for 2075 contacts (-67.2/contact) +
2D Compatibility (PS) -29711 + (NN) -14005 + (LL) 12948
1D Compatibility (HY) -20800 + (ID) 4650
Total energy: -195664.0 ( -94.30 by residue)
QMean score : 0.406
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