Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | -----------------------------------------MRALLAQNRLVTLCGTGGVGKTRLAIQIASASELRDGLCFVDLAPITESG------IVAATAARAVGLPDQPGRSTMDSLRRFIGNRRMLMVLDNCEHLLDAC--AALVVELLGACPELTILATSREPI--GMAGEITWRVPSMSITDEAVELFADRASRVQPGFTIANHNAAAVGEICRRLDGIP-----LAIEFAAARVRSMSPLE-IADGLDDCFRLLAGGVRGAVQRQQTLRASIDWSHALLTETEQILFRRLAPFVGGFDLAAVRAVAAGSDLDPFSVLDQLTLLVDKSLV----VADDCQGRTRYRLL------------ETVRRYALEKLGDS--GEADVHARHRDYYTALAASLNTPADNDHQRLVARAETEIDNLRAAFAWSRENGHITEALQLASSLQPIWFG--RAHLREGLSWFNSILEDQ--RFHRLAVSTAVRARALADKAMLSTWLATSPVGATDIIAPAQQALAM--AREVGDPAALVRALTACGCSSGYNAEAAAPYFAEATDLARAIDDKWTLCQILYWRGVGTCISGDPNALRAAAEECRDLADTIGDRFVSRHCSLWLSLAQMWAGNLTEALELSREITAEAEASNDVPTKVLGLYTQAQVLAYCGASAAHAIAGACIAAATELGGVYQGIGYAAMTYAALAAGDVTAAL---EASDAARPILRAQPDQVTMHQVLMAQLALAGGDAIAARQFANDAVDATNGWHRMVALTIRARVATARGEPELARDDAHAALACGAELHIYQGMPDAMELLAGLAGEVGSHSEGVRLLGAA---AALRQQTRQVRFKIWDAGYQASVTALREAMGDEDFDRAWAEGAALSTDEAIAYAQRGRGERKRPARGWGSLTPTERDVVRLVSEGLSNKDIAKRLFVSPRTVQTHLTHVYAKLGLPSRVQLVDEAARRGSPS--------- |
| 3GB8 Chain:A ((53-1061)) | LKEHPRVDTILEFSQNMNTKYYGLQILENVIKTRWRNQCEGIKKYVVGLIIKTSSEKEKVYIGKLNMILVQILKQEWPKHWPTFISDIVGASRTSESLCQNNMVILKLLSEEVFTQVKSKHLKDSMCNEFSQIFQLCQFVMENSQNAPLVHATLETLLRFLNWIPLGYIFETKLISTLIYKFLNVPMFRNVSLKCLTEIAGVSVS-QYEEQFVTLFTLTMMQLKQMLPLNTNIRLAYSNGKDDEQNFIQNLSLFLCTFLKEHDQLIEKRLNLRETLMEALHYMLLVSEVEETEIFKICLEYWNHLAAELYRESPFSVPPRRQLYLPMLFKVRLLMVSRMAKPEEDTDSINLYKNMRETLVYLTHLDYVDTERIMTEKLHNQVNGTEWSWKNLNTLCWAIGSISGAMHEEDEKRFLVTVIKDLLGLCEQKRGKDNKAIIASNIMYIVGQYPRFLRAHWKFLKTVVNKLFEFMHETHDGVQDMACDTFIKIAQKCRRHFVQVQVGEVMPFIDEILNNINTIICDLQPQQVHTFYEAVGYMIGAQTDQTVQEHLIEKYMLLPNQVWDSIIQQATKNVDILKD------PETVKQLGSILKTNVRACKAVGHPFVIQLGRIYLDMLNVYKCLSENISAAIQANGEMVTKQ-----------PLIRSMRTVKRETLKLIS-GWVSRSNDPQMVAENFVPPLLDAVLIDYQRNVPAAREPEVLSTMAIIVNKLGGHITAEIPQIFDAVFECTLNMINKDF-EEYPEHRTNFFLLLQAVNSHCFPAFLAIPPTQFKLVLDSIIWAFKHTMRNVADTGLQILFTLLQNVAQEEAAAQSFYQTYFCDILQHIFSVVTDTSHTAGLTMHASILAYMFNLVEEGKISTSLNPGNPVNNQIFLQEYVANLLKSAFPHLQDAQVKLFVTGLFSLNQDIPAFKEHLRDFLVQIKEFAGEDTSDLFLEEREIALRQADEEKHKRQMSVPGIFN |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3GB8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -236691 for 6538 contacts (-36.2/contact) +
2D Compatibility (PS) -91586 + (NN) -22637 + (LL) 740
1D Compatibility (HY) -21600 + (ID) 3600
Total energy: -375374.0 ( -57.41 by residue)
QMean score : 0.318
|
|
|