Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAFLDALALRLGRRLPLVLQTEATECGLACLAMIAGYHGHHTGLMELRRRFSVSLKGISLKQLIQTAHRLGLGTRAVKLDLGDLGKLKLPCVLHWNFNHFVVLKAVDGRGAVLHDPAHGQRRLGLEEVSRSFTGVALELWPESGFEKQEAPPRIKLLGMLGKVTGLYRSLAQVLLLAGALEVFSLISPFFLQWTIDNVIVSEDRDLLSTLAIGFGLLLLMQQAVSGVRAWVMMHMSTLLGVQWQANVFSHLLRLPAQYFEKRHLGDVVSRFGAVNSIQQTLTAAFLSAVLDGLMTVATLGMMLLYSPPLAAIAIAAMSLYALGRWIWYRPLRNATEEQIVHAARQQSHFLETVRGIRPLKLFQRQDERRSVWLGLLVEQINAGLRTQKLQLFYQQLNGLLFGVENLLVIWLGATMVMDGQFSVGILMAFNAYKSQFDSRVGSLIDKFFELRMLQLQGERLADIVLQAPEVSHGDILPENLREREASIEIQGLRYRYAEQEPWVLDGLDLRIAGGESVAIVGPSGCGKSTLFNVLLGILPPVEGQIRMAGLDLAQLGLDGLRELVGTVLQDDVLFAGSLSDNISFFDPQPDMPWLLQCAQMAAIHDDIQAMPMGYNTLVGDMGTVLSGGQKQRVMLARALYKKPRILFLDEATSHLDVHCEQRVNAAIRALRITR--IMVAHRPETIASADRVIVLGQGKVSLDESTARLAERQAAAAREQA |
2FF7 Chain:A ((7-221)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DITFRNIRFRYKPDSPVILDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRRQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICKGRTVIIIAHRLSTVKNADRIIVMEKGKI--------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2FF7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -180332 for 1656 contacts (-108.9/contact) +
2D Compatibility (PS) -22585 + (NN) -7195 + (LL) 43460
1D Compatibility (HY) -18400 + (ID) 4550
Total energy: -189602.0 ( -114.49 by residue)
QMean score : 0.481
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