Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAFLDALALRLGRRLPLVLQTEATECGLACLAMIAGYHGHHTGLMELRRRFSVSLKGISLKQLIQTAHRLGLGTRAVKLDLGDLGKLKLPCVLHWNFNHFVVLKAVDGRGAVLHDPAHGQRRLGLEEVSRSFTGVALELWPESGFEKQEAPPRIKLLGMLGKVTGLYRSLAQVLLLAGALEVFSLISPFFLQWTIDNVIVSEDRDLLSTLAIGFGLLLLMQQAVSGVRAWVMMHMSTLLGVQWQANVFSHLLRLPAQYFEKRHLGDVVSRFGAVNSIQQTLTAAFLSAVLDGLMTVATLGMMLLYSPPLAAIAIAAMSLYALGRWIWYRPLRNATEEQIVHAARQQSHFLETVRGIRPLKLFQRQDERRSVWLGLLVEQINAGLRTQKLQLFYQQLNGLLFGVENLLVIWLGATMVMDGQFSVGILMAFNAYKSQFDSRVGSLIDKFFELRMLQLQGERLADIVLQAPEVSHGDILPENLREREASIEIQGLRYRYAEQEPWVLDGLDLRIAGGESVAIVGPSGCGKSTLFNVLLGILPPVEGQIRMAGLDLAQLGLDGLRELVGTVLQDDVLFAGSLSDNISFFDPQPDMPWLLQCAQMAAIHDDIQAMPMGYNTLVGDMGTVLSGGQKQRVMLARALYKKPRILFLDEATSHLDVHCEQRVNAAIRALRITR--IMVAHRPETIASADRVIVLGQGKVSLDESTARLAERQAAAAREQA |
2FFA Chain:A ((7-221)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DITFRNIRFRYKPDSPVILDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRRQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICKGRTVIIIAARLSTVKNADRIIVMEKGKI--------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2FFA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -182395 for 1666 contacts (-109.5/contact) +
2D Compatibility (PS) -22451 + (NN) -6245 + (LL) 43460
1D Compatibility (HY) -18400 + (ID) 4500
Total energy: -190531.0 ( -114.36 by residue)
QMean score : 0.450
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