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. 2019 Feb 28;15(2):131–138. doi: 10.6026/97320630015131

Table 3. Calculated docking scores and interacting amino acids for phytohormones in the active site of modelled PgHSC70.

Name LibDockScore(K. cal/mol) Interacting amino acids H-bond distance(in Å) Binding energy(K. cal/mol)
:ARG75:HE - Abscisic acid:O18 1.745000 0.00118
:ARG75:HH21 - Abscisic acid:O16 2.459000
Abscisic acid 80.887 :ARG75:HH21 - Abscisic acid:O18 2.252000 1.956000
Abscisic acid:H36 - :ASP72:OD2 1.943000 1.512000
Abscisic acid:H27 - :ASP72:OD2 Abscisic acid:H36 - :ARG75:HE
LYS59:HZ1- Brassinolide:O12
THR271:HN- Brassinolide:O33
THR271:HG1Brassinolide:O33: LYS277:HZ1 - Brassinolide:O29
Brassinolide:H79 - :THR271:OG1 2.18000
Brassinolide 115.231 Brassinolide:H45 - :LYS59:CE 2.348000 2.381000 2.284000 2.196000 2.101000 2.071000
Brassinolide:H45 - :LYS59:NZ 1.458000 0.00119
Brassinolide:H45 - :LYS59:HZ1 2.123000 1.584000 1.651000
Brassinolide:H71 - :GLY236:CA
Brassinolide:H78 - :THR271:HG1
Brassinolide:H79 - :THR271:HG1
Ethylene - 0.00118
:ARG75:HE-Gibberellic acid:O13 1.8990002.317000 1.944000 2.026000
ARG75:HH21-Gibberellic acid:O12 1.905000 0.00119
Gibberellic acid 98.633 Gibberellic acid:H43- :ASP238:OD1 Gibberellic acid:H43- :ASP238:OD2 1.916000
Gibberellicacid:H35- :GLU237:OE1
Gibberellic acid:H45- :ASP238:OD1
:TYR18:HH - IAA:O13 1.600000 2.342000 1.943000 0.00119
:SER346:HN - IAA:O12 1.872000 2.172000
IAA72.354:SER346:HG - IAA:O12
:GLU237:CG - IAA:H17
:SER346:OG - IAA:O12
:TYR18:HH - Jasmonic acid:O14
Jasmonic acid84.199:LYS277:HZ1 - Jasmonic acid:O6 :SER346:HN - Jasmonic acid:O15 2.063000 2.353000 0.00119
Jasmonic acid:H16 - :ARG278:CG 2.429000 2.147000
:LYS277:HZ1 - Salicylic acid:O8
:LYS277:HZ1 - Salicylic acid:O9
Salicylic acid:H15 - :ASP240:OD1 Salicylic acid:H15 - 2.025000 2.186000 2.459000 2.291000 2.108000 0.00119
:ASP240:OD2
Salicylic acid:C7 - :LYS277:HZ1
:LYS59:HZ1 - Strigolactone:O4 0.00119
Strigolactone96.732Strigolactone:H41 - :ASP240:OD2 2.075000 1.814000 1.519000
Strigolactone:H47 - :LYS59:HZ1
Zeatin82.88A:LYS59:HZ1-Zeatin:N4 2.028000 -0.26316
A :LYS59:HZ3 - Zeatin:N4 2.040000
A :LYS59:HZ3 - Zeatin:N9 2.494000
A:LYS277:HZ1 - Zeatin:O16 2.100000
Zeatin:H29 - A:ASP240:OD1 2.390000
Zeatin:H29 - :ASP240:OD2 2.001000
Zeatin:C2 - :LYS59:HZ1 2.188000
Zeatin:C15 - :LYS277:H Zeatin:H27 - :LYS277:HZ1 2.105000
1.596000