GMTKN55 Amino20x4

References

GMTKN55: https://www.chemie.uni-bonn.de/grimme/de/software/gmtkn/gmtkn55

L. Goerigk, A. Hansen. C. A. Bauer, S. Ehrlich, A. Najibi and S. Grimme in Phys. Chem. Chem. Phys., 2017: https://doi.org/10.1039/C7CP04913G

Molecules

THR_xag GLY_xad TYR_xab GLY_xac MET_xbf GLN_xap THR_xah MET_xbo MET_xag PRO_xaf GLN_xal GLY_xab GLY_xae ILE_xae ILE_xak ASP_xau PHE_xar ILE_xaj ASP_xaz ILE_xaq PHE_xan ALA_xai LYS_xap ALA_xag HIS_xau SER_xah SER_xaf SER_xar HIS_xah CYS_xai CYS_xag GLU_xbi ASN_xaj ASN_xae CYS_xao ASN_xab CYS_xah VAL_xah VAL_xaf TRP_xac GLU_xar ARG_xbv THR_xaq GLY_xag GLN_xan ARG_xbx GLN_xai TYR_xah MET_xbm PRO_xac PRO_xad ARG_xak ARG_xby MET_xav TYR_xan TYR_xag TYR_xar THR_xab GLN_xat THR_xal PRO_xae PRO_xab PHE_xab ASP_xad PHE_xal PHE_xaw ASP_xbc ILE_xag ASP_xay HIS_xav SER_xak LEU_xbb HIS_xaq LYS_xao LEU_xad LEU_xaq HIS_xam LYS_xas LYS_xat ALA_xac LEU_xae SER_xad LYS_xan ALA_xab ALA_xak LEU_xap VAL_xad TRP_xaf VAL_xaj TRP_xao TRP_xah GLU_xal ARG_xci VAL_xak TRP_xag GLU_xav GLU_xad ASN_xah ASN_xaf CYS_xal

Reactions

1: ALA_xag -> ALA_xac, energy = 0.00186292008336

2: ALA_xag -> ALA_xak, energy = 0.00485889079056

3: ALA_xag -> ALA_xai, energy = 0.00528916317936

4: ALA_xag -> ALA_xab, energy = 0.008038125663359999

5: ARG_xci -> ARG_xak, energy = 0.0025115158694400002

6: ARG_xci -> ARG_xbv, energy = 0.00403021804176

7: ARG_xci -> ARG_xbx, energy = 0.004462084032

8: ARG_xci -> ARG_xby, energy = 0.01029307170096

9: ASN_xaf -> ASN_xaj, energy = 0.0006183173587200001

10: ASN_xaf -> ASN_xae, energy = 0.00654810831696

11: ASN_xaf -> ASN_xab, energy = 0.007585542854399999

12: ASN_xaf -> ASN_xah, energy = 0.010409404606080001

13: ASP_xaz -> ASP_xad, energy = 0.00025019542608

14: ASP_xaz -> ASP_xay, energy = 0.00314576924256

15: ASP_xaz -> ASP_xau, energy = 0.00461666337168

16: ASP_xaz -> ASP_xbc, energy = 0.00496088128272

17: CYS_xai -> CYS_xah, energy = 0.00044142759888000005

18: CYS_xai -> CYS_xag, energy = 0.00156013580976

19: CYS_xai -> CYS_xao, energy = 0.00158085262848

20: CYS_xai -> CYS_xal, energy = 0.0037816162171200006

21: GLN_xai -> GLN_xan, energy = 0.00067568701056

22: GLN_xai -> GLN_xat, energy = 0.00521426391168

23: GLN_xai -> GLN_xap, energy = 0.0064461178248

24: GLN_xai -> GLN_xal, energy = 0.0066166331788800005

25: GLU_xbi -> GLU_xav, energy = 0.0021274579224

26: GLU_xbi -> GLU_xal, energy = 0.0024621142248

27: GLU_xbi -> GLU_xar, energy = 0.00468359463216

28: GLU_xbi -> GLU_xad, energy = 0.00831222511104

29: GLY_xac -> GLY_xae, energy = 0.00173861917104

30: GLY_xac -> GLY_xad, energy = 0.0041863909828799995

31: GLY_xac -> GLY_xab, energy = 0.00437124874992

32: GLY_xac -> GLY_xag, energy = 0.00651145548384

33: HIS_xaq -> HIS_xam, energy = 0.00441268238736

34: HIS_xaq -> HIS_xah, energy = 0.00476805550848

35: HIS_xaq -> HIS_xau, energy = 0.011661975337919999

36: HIS_xaq -> HIS_xav, energy = 0.0117448426128

37: ILE_xae -> ILE_xaj, energy = 0.00029800346928

38: ILE_xae -> ILE_xaq, energy = 0.0009481928567999999

39: ILE_xae -> ILE_xag, energy = 0.00153463818672

40: ILE_xae -> ILE_xak, energy = 0.0015856334328

41: LEU_xap -> LEU_xad, energy = 0.0005386372867200001

42: LEU_xap -> LEU_xae, energy = 0.00242864859456

43: LEU_xap -> LEU_xbb, energy = 0.00268681202784

44: LEU_xap -> LEU_xaq, energy = 0.00311071001088

45: LYS_xap -> LYS_xao, energy = 9.242888352e-05

46: LYS_xap -> LYS_xan, energy = 0.00031712668656

47: LYS_xap -> LYS_xas, energy = 0.00072668225664

48: LYS_xap -> LYS_xat, energy = 0.0008605447776000001

49: MET_xbf -> MET_xag, energy = 0.00289079301216

50: MET_xbf -> MET_xbm, energy = 0.00391866594096

51: MET_xbf -> MET_xav, energy = 0.00392982115104

52: MET_xbf -> MET_xbo, energy = 0.00461506977024

53: PHE_xaw -> PHE_xab, energy = 0.00138962045568

54: PHE_xaw -> PHE_xar, energy = 0.00273940087536

55: PHE_xaw -> PHE_xan, energy = 0.0029322266496

56: PHE_xaw -> PHE_xal, energy = 0.00301031312016

57: PRO_xae -> PRO_xad, energy = 0.00222466761024

58: PRO_xae -> PRO_xac, energy = 0.00511705422384

59: PRO_xae -> PRO_xaf, energy = 0.00667240922928

60: PRO_xae -> PRO_xab, energy = 0.00958391906016

61: SER_xad -> SER_xah, energy = 0.00482223795744

62: SER_xad -> SER_xaf, energy = 0.00494494526832

63: SER_xad -> SER_xak, energy = 0.00559832185872

64: SER_xad -> SER_xar, energy = 0.00666603482352

65: THR_xaq -> THR_xab, energy = 0.00213383232816

66: THR_xaq -> THR_xag, energy = 0.0049082924352

67: THR_xaq -> THR_xah, energy = 0.0055871666486399995

68: THR_xaq -> THR_xal, energy = 0.00673137248256

69: TRP_xao -> TRP_xag, energy = 0.0020605266619199997

70: TRP_xao -> TRP_xah, energy = 0.0045067048723199995

71: TRP_xao -> TRP_xaf, energy = 0.00516964307136

72: TRP_xao -> TRP_xac, energy = 0.006465241042080001

73: TYR_xag -> TYR_xar, energy = 0.00014820493392

74: TYR_xag -> TYR_xab, energy = 0.00143902210032

75: TYR_xag -> TYR_xah, energy = 0.0027202776580800003

76: TYR_xag -> TYR_xan, energy = 0.00282386175168

77: VAL_xad -> VAL_xaj, energy = 0.00135296762256

78: VAL_xad -> VAL_xah, energy = 0.0013704972384

79: VAL_xad -> VAL_xaf, energy = 0.0021593299512

80: VAL_xad -> VAL_xak, energy = 0.00236490453696