Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRLARLLRGAALAGPGPGLRAAGFSRSFSSDSGSSPASERGVPGQVDFYARFSPSPLSMKQFLDFGS--VNACEKTSFMFLRQELPVRLANIMKEISLLPDNLLRTPSVQLVQSWYIQSLQELLDFKDKSAEDAKAIYDFTDTVIRIRNRHNDVIPTMAQGVIEYKESFGVDPVTSQNVQYFLDRFYMSRISIRMLLNQHSLLFGGKGKGSPSHRKHIGSINPNCNVLEVIKDGYENARRLCDLYYINSPELELEELNAKSPGQPIQVVYVPSHLYHMVFELFKNAMRATMEHHANRGVY-PPIQVHVTLGNEDLTVKMSDRGGGVPLRKIDRLFNYMYSTAPRPRVETSRAVPLAGFGYGLPISRLYAQYFQGDLKLYSLEGYGTDAVIYIKALSTDSIERLPVYNKAAWKHYNTNHEADDWCVPSREPKDMTTFRSA |
1GKZ Chain:A ((38-378)) | ------------------------------------------------------VRLTPTMMLYSGRSQDGSHLLKSGRYLQQELPVRIAHRIKGFRSLPFIIGCNPTILHVHELYIRAFQKLTDFP--PIKDQADEAQYCQLVRQLLDDHKDVVTLLAEGLRESRKHIE----DEKLVRYFLDKTLTSRLGIRMLATHHLALH-------EDKPDFVGIICTRLSPKKIIEKWVDFARRLCEHKYGNAPRVRING------HVAARFPFIPMPLDYILPELLKNAMRATMESHLDTPYNVPDVVITIANNDVDLIIRISDRGGGIAHKDLDRVMDYHFTTAPMH-----------GFGFGLPTSRAYAEYLGGSLQLQSLQGIGTDVYLRLRHIDGREE--------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1GKZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -181863 for 2460 contacts (-73.9/contact) +
2D Compatibility (PS) -33177 + (NN) -12706 + (LL) 4560
1D Compatibility (HY) -18800 + (ID) 5200
Total energy: -247186.0 ( -100.48 by residue)
QMean score : 0.449
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