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