import json, os script_dir = os.path.dirname(os.path.realpath(__file__))+'/' ## ## lk and lk term #(LJ_RADIUS LJ_WDEPTH LK_DGFREE LK_LAMBDA LK_VOLUME) type2ljlk = { "CNH2":(1.968297,0.094638,3.077030,3.5000,13.500000), "COO":(1.916661,0.141799,-3.332648,3.5000,14.653000), "CH0":(2.011760,0.062642,1.409284,3.5000,8.998000), "CH1":(2.011760,0.062642,-3.538387,3.5000,10.686000), "CH2":(2.011760,0.062642,-1.854658,3.5000,18.331000), "CH3":(2.011760,0.062642,7.292929,3.5000,25.855000), "aroC":(2.016441,0.068775,1.797950,3.5000,16.704000), "Ntrp":(1.802452,0.161725,-8.413116,3.5000,9.522100), "Nhis":(1.802452,0.161725,-9.739606,3.5000,9.317700), "NtrR":(1.802452,0.161725,-5.158080,3.5000,9.779200), "NH2O":(1.802452,0.161725,-8.101638,3.5000,15.689000), "Nlys":(1.802452,0.161725,-20.864641,3.5000,16.514000), "Narg":(1.802452,0.161725,-8.968351,3.5000,15.717000), "Npro":(1.802452,0.161725,-0.984585,3.5000,3.718100), "OH":(1.542743,0.161947,-8.133520,3.5000,10.722000), "OHY":(1.542743,0.161947,-8.133520,3.5000,10.722000), "ONH2":(1.548662,0.182924,-6.591644,3.5000,10.102000), "OOC":(1.492871,0.099873,-9.239832,3.5000,9.995600), "S":(1.975967,0.455970,-1.707229,3.5000,17.640000), "SH1":(1.975967,0.455970,3.291643,3.5000,23.240000), "Nbb":(1.802452,0.161725,-9.969494,3.5000,15.992000), "CAbb":(2.011760,0.062642,2.533791,3.5000,12.137000), "CObb":(1.916661,0.141799,3.104248,3.5000,13.221000), "OCbb":(1.540580,0.142417,-8.006829,3.5000,12.196000), "Phos":(2.1500,0.5850,-4.1000,3.5000,14.7000), # phil "Oet2":(1.5500,0.1591,-5.8500,3.5000,10.8000), "Oet3":(1.5500,0.1591,-6.7000,3.5000,10.8000), "HNbb":(0.901681,0.005000,0.0000,3.5000,0.0000), "Hapo":(1.421272,0.021808,0.0000,3.5000,0.0000), "Haro":(1.374914,0.015909,0.0000,3.5000,0.0000), "Hpol":(0.901681,0.005000,0.0000,3.5000,0.0000), "HS":(0.363887,0.050836,0.0000,3.5000,0.0000), "genAl":(1,0.1, 0.0000, 0.0000, 0.0000), "genAs":(1, 0.1, 0.0000, 0.0000, 0.0000), "genAu":(1, 0.1, 0.0000, 0.0000, 0.0000), "genB": (1,0.1, 0.0000, 0.0000, 0.0000), "genBe": (1,0.1, 0.0000, 0.0000, 0.0000), "genBr": (2.1971, 0.1090, 2.7951, 3.5000, 19.6876), "genC": (2.0067, 0.0689, 2.2256, 3.5000, 10.6860), # params from CT "genCa": (1, 0.1, 0.0000, 0.0000, 0.0000), "genCl": (2.0496, 0.1070, 2.3668, 3.5000, 17.5849), "genCo": (1, 0.1, 0.0000, 0.0000, 0.0000), "genCr": (1, 0.1, 0.0000, 0.0000, 0.0000), "genCu": (1, 0.1, 0.0000, 0.0000, 0.0000), "genF": (1.6941, 0.0750, 1.6442, 3.5000, 12.2163), "genFe": (1, 0.1, 0.0000, 0.0000, 0.0000), "genHg": (1, 0.1, 0.0000, 0.0000, 0.0000), "genI": (2.3600, 0.1110, 3.1361, 3.5000, 22.0891), "genIr": (1, 0.1, 0.0000, 0.0000, 0.0000), "genK": (1, 0.1, 0.0000, 0.0000, 0.0000), "genLi": (1, 0.1, 0.0000, 0.0000, 0.0000), "genMg": (1, 0.1, 0.0000, 0.0000, 0.0000), "genMn": (1, 0.1, 0.0000, 0.0000, 0.0000), "genMo": (1, 0.1, 0.0000, 0.0000, 0.0000), "genN": (1.7854, 0.1497, -6.3760, 3.5000, 9.5221), # params from NG2 "genNi": (1, 0.1, 0.0000, 0.0000, 0.0000), "genO": (1.5492, 0.1576, -3.5363, 3.5000, 10.7220), # params for OG3 "genOs": (1, 0.1, 0.0000, 0.0000, 0.0000), "genP": (2.1290, 0.5838, -9.6272, 3.5000, 34.8000), # params for PG5 "genPb": (1, 0.1, 0.0000, 0.0000, 0.0000), "genPd": (1, 0.1, 0.0000, 0.0000,0.0000), "genPr": (1, 0.1, 0.0000, 0.0000,0.0000), "genPt": (1, 0.1, 0.0000, 0.0000,0.0000), "genRe": (1, 0.1, 0.0000, 0.0000,0.0000), "genRh": (1, 0.1, 0.0000, 0.0000,0.0000), "genRu": (1, 0.1, 0.0000, 0.0000,0.0000), "genS": (1.9893, 0.3634, -2.3560, 3.5000, 17.6400), # params for SG3 "genSb": (1, 0.1, 0.0000, 0.0000, 0.0000), "genSe": (1, 0.1, 0.0000, 0.0000, 0.0000), "genSi": (1, 0.1, 0.0000, 0.0000, 0.0000), "genSn": (1, 0.1, 0.0000, 0.0000, 0.0000), "genTb": (1, 0.1, 0.0000, 0.0000, 0.0000), "genTe": (1, 0.1, 0.0000, 0.0000, 0.0000), "genU": (1, 0.1, 0.0000, 0.0000, 0.0000), "genW": (1, 0.1, 0.0000, 0.0000, 0.0000), "genV": (1, 0.1, 0.0000, 0.0000, 0.0000), "genY": (1, 0.1, 0.0000, 0.0000, 0.0000), "genZn": (1, 0.1, 0.0000, 0.0000, 0.0000), "genATM": (1, 0.0, 0.0000, 0.0000, 0.0000), # masked } # cartbonded with open(script_dir+'cartbonded.json', 'r') as j: cartbonded_data_raw = json.loads(j.read()) # hbond donor/acceptors class HbAtom: NO = 0 DO = 1 # donor AC = 2 # acceptor DA = 3 # donor & acceptor HP = 4 # polar H type2hb = { "CNH2":HbAtom.NO, "COO":HbAtom.NO, "CH0":HbAtom.NO, "CH1":HbAtom.NO, "CH2":HbAtom.NO, "CH3":HbAtom.NO, "aroC":HbAtom.NO, "Ntrp":HbAtom.DO, "Nhis":HbAtom.AC, "NtrR":HbAtom.DO, "NH2O":HbAtom.DO, "Nlys":HbAtom.DO, "Narg":HbAtom.DO, "Npro":HbAtom.NO, "OH":HbAtom.DA, "OHY":HbAtom.DA, "ONH2":HbAtom.AC, "OOC":HbAtom.AC, "S":HbAtom.NO, "SH1":HbAtom.NO, "Nbb":HbAtom.DO, "CAbb":HbAtom.NO, "CObb":HbAtom.NO, "OCbb":HbAtom.AC, "HNbb":HbAtom.HP, "Hapo":HbAtom.NO, "Haro":HbAtom.NO, "Hpol":HbAtom.HP, "HS":HbAtom.HP, # HP in rosetta(?) "Phos":HbAtom.NO, "Oet2":HbAtom.AC, "Oet3":HbAtom.AC, "genAl":HbAtom.NO, "genAs":HbAtom.NO, "genAu":HbAtom.NO, "genB": HbAtom.NO, "genBe": HbAtom.NO, "genBr": HbAtom.NO, "genC": HbAtom.NO, "genCa": HbAtom.NO, "genCl": HbAtom.NO, "genCo": HbAtom.NO, "genCr": HbAtom.NO, "genCu": HbAtom.NO, "genF": HbAtom.DA, "genFe": HbAtom.NO, "genHg": HbAtom.NO, "genI": HbAtom.NO, "genIr": HbAtom.NO, "genK": HbAtom.NO, "genLi": HbAtom.NO, "genMg": HbAtom.NO, "genMn": HbAtom.NO, "genMo": HbAtom.NO, "genN": HbAtom.DA, "genNi": HbAtom.NO, "genO": HbAtom.DA, "genOs": HbAtom.NO, "genP": HbAtom.NO, "genPb": HbAtom.NO, "genPd": HbAtom.NO, "genPr": HbAtom.NO, "genPt": HbAtom.NO, "genRe": HbAtom.NO, "genRh": HbAtom.NO, "genRu": HbAtom.NO, "genS": HbAtom.DA, "genSb": HbAtom.NO, "genSe": HbAtom.NO, "genSi": HbAtom.NO,"genSn": HbAtom.NO,"genTb": HbAtom.NO, "genTe": HbAtom.NO, "genU": HbAtom.NO, "genW": HbAtom.NO, "genV": HbAtom.NO, "genY": HbAtom.NO, "genZn": HbAtom.NO, "genATM": HbAtom.NO, # masked } ## ## hbond term ## TO DO: ADD DNA class HbDonType: PBA = 0 IND = 1 IME = 2 GDE = 3 CXA = 4 AMO = 5 HXL = 6 AHX = 7 NTYPES = 8 class HbAccType: PBA = 0 CXA = 1 CXL = 2 HXL = 3 AHX = 4 IME = 5 NTYPES = 6 class HbHybType: SP2 = 0 SP3 = 1 RING = 2 NTYPES = 3 type2dontype = { "Nbb": HbDonType.PBA, "Ntrp": HbDonType.IND, "NtrR": HbDonType.GDE, "Narg": HbDonType.GDE, "NH2O": HbDonType.CXA, "Nlys": HbDonType.AMO, "OH": HbDonType.HXL, "OHY": HbDonType.AHX, } type2acctype = { "OCbb": HbAccType.PBA, "ONH2": HbAccType.CXA, "OOC": HbAccType.CXL, "OH": HbAccType.HXL, "OHY": HbAccType.AHX, "Nhis": HbAccType.IME, } type2hybtype = { "OCbb": HbHybType.SP2, "ONH2": HbHybType.SP2, "OOC": HbHybType.SP2, "OHY": HbHybType.SP3, "OH": HbHybType.SP3, "Nhis": HbHybType.RING, } dontype2wt = { HbDonType.PBA: 1.45, HbDonType.IND: 1.15, HbDonType.IME: 1.42, HbDonType.GDE: 1.11, HbDonType.CXA: 1.29, HbDonType.AMO: 1.17, HbDonType.HXL: 0.99, HbDonType.AHX: 1.00, } acctype2wt = { HbAccType.PBA: 1.19, HbAccType.CXA: 1.21, HbAccType.CXL: 1.10, HbAccType.HXL: 1.15, HbAccType.AHX: 1.15, HbAccType.IME: 1.17, } class HbPolyType: ahdist_aASN_dARG = 0 ahdist_aASN_dASN = 1 ahdist_aASN_dGLY = 2 ahdist_aASN_dHIS = 3 ahdist_aASN_dLYS = 4 ahdist_aASN_dSER = 5 ahdist_aASN_dTRP = 6 ahdist_aASN_dTYR = 7 ahdist_aASP_dARG = 8 ahdist_aASP_dASN = 9 ahdist_aASP_dGLY = 10 ahdist_aASP_dHIS = 11 ahdist_aASP_dLYS = 12 ahdist_aASP_dSER = 13 ahdist_aASP_dTRP = 14 ahdist_aASP_dTYR = 15 ahdist_aGLY_dARG = 16 ahdist_aGLY_dASN = 17 ahdist_aGLY_dGLY = 18 ahdist_aGLY_dHIS = 19 ahdist_aGLY_dLYS = 20 ahdist_aGLY_dSER = 21 ahdist_aGLY_dTRP = 22 ahdist_aGLY_dTYR = 23 ahdist_aHIS_dARG = 24 ahdist_aHIS_dASN = 25 ahdist_aHIS_dGLY = 26 ahdist_aHIS_dHIS = 27 ahdist_aHIS_dLYS = 28 ahdist_aHIS_dSER = 29 ahdist_aHIS_dTRP = 30 ahdist_aHIS_dTYR = 31 ahdist_aSER_dARG = 32 ahdist_aSER_dASN = 33 ahdist_aSER_dGLY = 34 ahdist_aSER_dHIS = 35 ahdist_aSER_dLYS = 36 ahdist_aSER_dSER = 37 ahdist_aSER_dTRP = 38 ahdist_aSER_dTYR = 39 ahdist_aTYR_dARG = 40 ahdist_aTYR_dASN = 41 ahdist_aTYR_dGLY = 42 ahdist_aTYR_dHIS = 43 ahdist_aTYR_dLYS = 44 ahdist_aTYR_dSER = 45 ahdist_aTYR_dTRP = 46 ahdist_aTYR_dTYR = 47 cosBAH_off = 48 cosBAH_7 = 49 cosBAH_6i = 50 AHD_1h = 51 AHD_1i = 52 AHD_1j = 53 AHD_1k = 54 # map donor:acceptor pairs to polynomials hbtypepair2poly = { (HbDonType.PBA,HbAccType.PBA): (HbPolyType.ahdist_aGLY_dGLY,HbPolyType.cosBAH_off,HbPolyType.AHD_1j), (HbDonType.CXA,HbAccType.PBA): (HbPolyType.ahdist_aGLY_dASN,HbPolyType.cosBAH_off,HbPolyType.AHD_1j), (HbDonType.IME,HbAccType.PBA): (HbPolyType.ahdist_aGLY_dHIS,HbPolyType.cosBAH_off,HbPolyType.AHD_1j), (HbDonType.IND,HbAccType.PBA): (HbPolyType.ahdist_aGLY_dTRP,HbPolyType.cosBAH_off,HbPolyType.AHD_1j), (HbDonType.AMO,HbAccType.PBA): (HbPolyType.ahdist_aGLY_dLYS,HbPolyType.cosBAH_off,HbPolyType.AHD_1h), (HbDonType.GDE,HbAccType.PBA): (HbPolyType.ahdist_aGLY_dARG,HbPolyType.cosBAH_off,HbPolyType.AHD_1j), (HbDonType.AHX,HbAccType.PBA): (HbPolyType.ahdist_aGLY_dTYR,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), (HbDonType.HXL,HbAccType.PBA): (HbPolyType.ahdist_aGLY_dSER,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), (HbDonType.PBA,HbAccType.CXA): (HbPolyType.ahdist_aASN_dGLY,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), (HbDonType.CXA,HbAccType.CXA): (HbPolyType.ahdist_aASN_dASN,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), (HbDonType.IME,HbAccType.CXA): (HbPolyType.ahdist_aASN_dHIS,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), (HbDonType.IND,HbAccType.CXA): (HbPolyType.ahdist_aASN_dTRP,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), (HbDonType.AMO,HbAccType.CXA): (HbPolyType.ahdist_aASN_dLYS,HbPolyType.cosBAH_off,HbPolyType.AHD_1h), (HbDonType.GDE,HbAccType.CXA): (HbPolyType.ahdist_aASN_dARG,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), (HbDonType.AHX,HbAccType.CXA): (HbPolyType.ahdist_aASN_dTYR,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), (HbDonType.HXL,HbAccType.CXA): (HbPolyType.ahdist_aASN_dSER,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), (HbDonType.PBA,HbAccType.CXL): (HbPolyType.ahdist_aASP_dGLY,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), (HbDonType.CXA,HbAccType.CXL): (HbPolyType.ahdist_aASP_dASN,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), (HbDonType.IME,HbAccType.CXL): (HbPolyType.ahdist_aASP_dHIS,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), (HbDonType.IND,HbAccType.CXL): (HbPolyType.ahdist_aASP_dTRP,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), (HbDonType.AMO,HbAccType.CXL): (HbPolyType.ahdist_aASP_dLYS,HbPolyType.cosBAH_off,HbPolyType.AHD_1h), (HbDonType.GDE,HbAccType.CXL): (HbPolyType.ahdist_aASP_dARG,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), (HbDonType.AHX,HbAccType.CXL): (HbPolyType.ahdist_aASP_dTYR,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), (HbDonType.HXL,HbAccType.CXL): (HbPolyType.ahdist_aASP_dSER,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), (HbDonType.PBA,HbAccType.IME): (HbPolyType.ahdist_aHIS_dGLY,HbPolyType.cosBAH_7,HbPolyType.AHD_1i), (HbDonType.CXA,HbAccType.IME): (HbPolyType.ahdist_aHIS_dASN,HbPolyType.cosBAH_7,HbPolyType.AHD_1i), (HbDonType.IME,HbAccType.IME): (HbPolyType.ahdist_aHIS_dHIS,HbPolyType.cosBAH_7,HbPolyType.AHD_1h), (HbDonType.IND,HbAccType.IME): (HbPolyType.ahdist_aHIS_dTRP,HbPolyType.cosBAH_7,HbPolyType.AHD_1h), (HbDonType.AMO,HbAccType.IME): (HbPolyType.ahdist_aHIS_dLYS,HbPolyType.cosBAH_7,HbPolyType.AHD_1i), (HbDonType.GDE,HbAccType.IME): (HbPolyType.ahdist_aHIS_dARG,HbPolyType.cosBAH_7,HbPolyType.AHD_1h), (HbDonType.AHX,HbAccType.IME): (HbPolyType.ahdist_aHIS_dTYR,HbPolyType.cosBAH_7,HbPolyType.AHD_1i), (HbDonType.HXL,HbAccType.IME): (HbPolyType.ahdist_aHIS_dSER,HbPolyType.cosBAH_7,HbPolyType.AHD_1i), (HbDonType.PBA,HbAccType.AHX): (HbPolyType.ahdist_aTYR_dGLY,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), (HbDonType.CXA,HbAccType.AHX): (HbPolyType.ahdist_aTYR_dASN,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), (HbDonType.IME,HbAccType.AHX): (HbPolyType.ahdist_aTYR_dHIS,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), (HbDonType.IND,HbAccType.AHX): (HbPolyType.ahdist_aTYR_dTRP,HbPolyType.cosBAH_6i,HbPolyType.AHD_1h), (HbDonType.AMO,HbAccType.AHX): (HbPolyType.ahdist_aTYR_dLYS,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), (HbDonType.GDE,HbAccType.AHX): (HbPolyType.ahdist_aTYR_dARG,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), (HbDonType.AHX,HbAccType.AHX): (HbPolyType.ahdist_aTYR_dTYR,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), (HbDonType.HXL,HbAccType.AHX): (HbPolyType.ahdist_aTYR_dSER,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), (HbDonType.PBA,HbAccType.HXL): (HbPolyType.ahdist_aSER_dGLY,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), (HbDonType.CXA,HbAccType.HXL): (HbPolyType.ahdist_aSER_dASN,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), (HbDonType.IME,HbAccType.HXL): (HbPolyType.ahdist_aSER_dHIS,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), (HbDonType.IND,HbAccType.HXL): (HbPolyType.ahdist_aSER_dTRP,HbPolyType.cosBAH_6i,HbPolyType.AHD_1h), (HbDonType.AMO,HbAccType.HXL): (HbPolyType.ahdist_aSER_dLYS,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), (HbDonType.GDE,HbAccType.HXL): (HbPolyType.ahdist_aSER_dARG,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), (HbDonType.AHX,HbAccType.HXL): (HbPolyType.ahdist_aSER_dTYR,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), (HbDonType.HXL,HbAccType.HXL): (HbPolyType.ahdist_aSER_dSER,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), } # polynomials are triplets, (x_min, x_max), (y[xx_max]), (c_9,...,c_0) hbpolytype2coeffs = { # Parameters imported from rosetta sp2_elec_params @v2017.48-dev59886 HbPolyType.ahdist_aASN_dARG: ((0.7019094761929999, 2.86820307153,),(1.1, 1.1,),( 0.58376113, -9.29345473, 64.86270904, -260.3946711, 661.43138077, -1098.01378958, 1183.58371466, -790.82929582, 291.33125475, -43.01629727,)), HbPolyType.ahdist_aASN_dASN: ((0.625841094801, 2.75107708444,),(1.1, 1.1,),( -1.31243015, 18.6745072, -112.63858313, 373.32878091, -734.99145504, 861.38324861, -556.21026097, 143.5626977, 20.03238394, -11.52167705,)), HbPolyType.ahdist_aASN_dGLY: ((0.7477341047139999, 2.6796350782799996,),(1.1, 1.1,),( -1.61294554, 23.3150793, -144.11313069, 496.13575, -1037.83809166, 1348.76826073, -1065.14368678, 473.89008925, -100.41142701, 7.44453515,)), HbPolyType.ahdist_aASN_dHIS: ((0.344789524346, 2.8303582266000005,),(1.1, 1.1,),( -0.2657122, 4.1073775, -26.9099632, 97.10486507, -209.96002602, 277.33057268, -218.74766996, 97.42852213, -24.07382402, 3.73962807,)), HbPolyType.ahdist_aASN_dLYS: ((0.542905671869, 2.45259389314,),(1.1, 1.1,),( 1.38531754, -18.48733797, 106.14444613, -344.70585054, 698.91577956, -917.0879402, 775.32787908, -403.09588787, 113.65054778, -11.66516403,)), HbPolyType.ahdist_aASN_dSER: ((1.0812774602500002, 2.6832123582599996,),(1.1, 1.1,),( -3.51524353, 47.54032873, -254.40168577, 617.84606386, -255.49935027, -2361.56230539, 6426.85797934, -7760.4403891, 4694.08106855, -1149.83549068,)), HbPolyType.ahdist_aASN_dTRP: ((0.6689984999999999, 3.0704254,),(1.1, 1.1,),( -0.5284840422, 8.3510150838, -56.4100479414, 212.4884326254, -488.3178610608, 703.7762350506, -628.9936994633999, 331.4294356146, -93.265817571, 11.9691623698,)), HbPolyType.ahdist_aASN_dTYR: ((1.08950268805, 2.6887046709400004,),(1.1, 1.1,),( -4.4488705, 63.27696281, -371.44187037, 1121.71921621, -1638.11394306, 142.99988401, 3436.65879147, -5496.07011787, 3709.30505237, -962.79669688,)), HbPolyType.ahdist_aASP_dARG: ((0.8100404642229999, 2.9851230124799994,),(1.1, 1.1,),( -0.66430344, 10.41343145, -70.12656205, 265.12578414, -617.05849171, 911.39378582, -847.25013928, 472.09090981, -141.71513167, 18.57721132,)), HbPolyType.ahdist_aASP_dASN: ((1.05401125073, 3.11129675908,),(1.1, 1.1,),( 0.02090728, -0.24144928, -0.19578075, 16.80904547, -117.70216251, 407.18551288, -809.95195924, 939.83137947, -593.94527692, 159.57610528,)), HbPolyType.ahdist_aASP_dGLY: ((0.886260952629, 2.66843608743,),(1.1, 1.1,),( -7.00699267, 107.33021779, -713.45752385, 2694.43092298, -6353.05100287, 9667.94098394, 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