Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRIVQPVIEQLKAQSHPVCHYIYDLVGLEHHLQHITSSLPSNCQMYYAMKANSERTILDTISQYVEGFEVASQGEIAKGL-AFKPANHIIFGGPGKTDEELRYAVSEGVQRIHVESMHELQRLNAILEDEDKTQHILLRVNLAGPFPNATLHMAGRPTQFGISEDEVDDVIEAALVMPNIHLDGFHFHSISNNLDSNLHVDVVKLYFKKAKSWSEKHRFPLKHINLGGGIGVNYADLTSQFEWDNFVENFKTLIVEQEMEDVTLNFECGRFIVAHIGYYVTEVLDIKKVHGAWYAILRGGTQQFRLPVSWQHNHPFEIYRYKDNPYSFEKVSISRQDTTLVGQLCTPKDVFAREVQIDAISTGDVIVFKYAGAYGWSISHHDFLSHPHPEFIYLTQTKEDE |
2P3E Chain:A ((22-399)) | -----GVSLKELAQTFGTPLYVYSSNFIKERFEAYRKAFP-DALICYAVKANFNPHLVKLLGELGAGADIVSGGELYLAKKAGIPPERIVYAGVGKTEKELTDAVDSEILMFNVESRQELDVLNEIAGKLGKKARIAIRVNP---------------SKFGVDIREAQKEYEYASKLENLEIVGIHCHIGSQILDISPYREAVEKVVSLYESL-TQKGFDIKYLDIGGGLGIKYKPEDKEPAPQDLADLLKDLL--V---KAKIILEPGRSIMGNAGILITQVQFLKDKGSKHFIIVDAGMNDLIRPSIYNAYHHI--IPVET-------KE---VVADIVGPICETGDFLALDREIEEVQRGEYLAVLSAGAYGFAMSSH-YNMRPRAAEVLVENG---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2P3E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -234714 for 3068 contacts (-76.5/contact) +
2D Compatibility (PS) -37521 + (NN) -7485 + (LL) 2628
1D Compatibility (HY) -18800 + (ID) 4450
Total energy: -300342.0 ( -97.90 by residue)
QMean score : 0.524
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