Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRVDGRDIGVSGNLLQPLTRRTNDIIRAVLAAIYLVAVITSSLITRPQWVALEKSISEIVGVLSPSQSDLVYLGYGLAILALPFVILIGLIVSRQWKLLGAYAAAGLMAVLPLSISSSRIAAPRWHFDLSDRLATLLAQFLDDPRWIAMLAAVLTVSGPWLPARWRHWWWALLLAFVPIHLVVSAIVPARSLLGLAVGWLVGALVVLVVGTPALEVPLDGAIRALAKRGFAVSGLAVVRPAGPGPLVLSAACEQPNAGACSEALIELYGPHQSGGGALRQLWLKLTLRGTETAPLQASMRRAVEHRALMAIAFGDLGMANTTVIAVSPLDRGWTLYAHRPARGIGISECT----------KTTPTAHVWEALRTLHDQQISHGDLCSAEITVDN----GAVLFGGFGEAEYGATDAQLQSDLAQLLVTTSALYDAEAA---VTAAIDTFGKQAILAASRRLTKSAVPKRIRESITDPNAVIASTRAEVMRQTGADQIKAETITRFSRGQLIQLVLIGALVYVAYPFISTVPTFFSQLRTANWWWALLGLAVSALTYVGAAAALWACADGLVGFWKLSIMQVANTFAATTTPAGVGGLALSTRFLQKGGLTAVRATAAVALQQSVQVIVHLVLLILFSALAGTSTDLSHFVPNATVLYLIAGVALGIVGTFLFVPKLRRWLATAVRPKLREVTNDLIALAREPKRLALIVLGCAGTTLGAALALWASIEAFGGGTTFVTVTVVTMVGGTLASAAPTPGGVGAVEAALIGGLAAFGVPAALGVPSVLLYRLLTCWLPVFAGWQVMHWLTRHEMI |
3I6U Chain:A ((232-417)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GEVKLAFER----KTCKKVAIRIISKRKFAIG------------------------LNVETEIEILKKLNHP--CIIKIKNFFDA-EDYYIVLELM-EGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILG----------------PTYLAPEVLVAGYNRAVDCWSLGVIL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3I6U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -68224 for 1006 contacts (-67.8/contact) +
2D Compatibility (PS) -15353 + (NN) -5892 + (LL) 55828
1D Compatibility (HY) -8000 + (ID) 1100
Total energy: -42741.0 ( -42.49 by residue)
QMean score : 0.261
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