Prediction of noncovalent interactions for PDB structure COMPLEX_1_PROTEIN
==========================================================================
Created on 2025/12/04 using PLIP v2.2.2

If you are using PLIP in your work, please cite:
Adasme,M. et al. PLIP 2021: expanding the scope of the protein-ligand interaction profiler to DNA and RNA. Nucl. Acids Res. (05 May 2021), gkab294. doi: 10.1093/nar/gkab294
Analysis was done on model 1.

UNK:d:0 (UNK) - SMALLMOLECULE
-----------------------------
Interacting chain(s): A,B,F


**Hydrophobic Interactions**
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+------------------------+------------------------+
| RESNR | RESTYPE | RESCHAIN | RESNR_LIG | RESTYPE_LIG | RESCHAIN_LIG | DIST | LIGCARBONIDX | PROTCARBONIDX | LIGCOO                 | PROTCOO                | 
+=======+=========+==========+===========+=============+==============+======+==============+===============+========================+========================+
| 67    | GLU     | B        | 0         | UNK         | d            | 3.86 | 22           | 3823          | 13.282, 50.575, 19.244 | 16.776, 49.804, 20.701 | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+------------------------+------------------------+
| 105   | TYR     | A        | 0         | UNK         | d            | 3.96 | 24           | 1011          | 7.911, 55.039, 19.498  | 10.360, 58.151, 19.581 | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+------------------------+------------------------+
| 106   | ALA     | A        | 0         | UNK         | d            | 3.35 | 13           | 1025          | 12.446, 52.835, 19.038 | 14.209, 55.408, 17.811 | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+------------------------+------------------------+


**Hydrogen Bonds**
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| RESNR | RESTYPE | RESCHAIN | RESNR_LIG | RESTYPE_LIG | RESCHAIN_LIG | SIDECHAIN | DIST_H-A | DIST_D-A | DON_ANGLE | PROTISDON | DONORIDX | DONORTYPE | ACCEPTORIDX | ACCEPTORTYPE | LIGCOO                 | PROTCOO                | 
+=======+=========+==========+===========+=============+==============+===========+==========+==========+===========+===========+==========+===========+=============+==============+========================+========================+
| 64    | HIS     | B        | 0         | UNK         | d            | True      | 3.31     | 3.84     | 116.02    | True      | 3794     | Npl       | 35          | O3           | 19.330, 52.987, 21.010 | 22.176, 54.066, 23.359 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 67    | GLU     | B        | 0         | UNK         | d            | True      | 2.82     | 3.58     | 139.81    | True      | 3826     | O3        | 8           | O.co2        | 17.339, 53.900, 23.092 | 16.811, 50.356, 23.005 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 69    | GLU     | B        | 0         | UNK         | d            | False     | 2.49     | 3.01     | 113.66    | False     | 33       | O3        | 3844        | O2           | 11.969, 48.883, 20.240 | 13.248, 46.161, 20.083 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 71    | SER     | B        | 0         | UNK         | d            | False     | 3.01     | 3.84     | 143.99    | True      | 3863     | Nam       | 20          | O2           | 9.596, 49.605, 21.093  | 8.740, 46.815, 18.596  | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 76    | ARG     | F        | 0         | UNK         | d            | True      | 3.72     | 4.02     | 100.09    | True      | 13712    | Ng+       | 37          | O3           | 17.073, 51.496, 17.059 | 14.550, 50.914, 13.985 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 76    | ARG     | F        | 0         | UNK         | d            | False     | 3.38     | 3.78     | 106.77    | False     | 39       | O3        | 13705       | O2           | 19.351, 53.043, 18.104 | 21.400, 54.001, 15.078 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 81    | GLU     | B        | 0         | UNK         | d            | True      | 3.48     | 3.85     | 105.37    | False     | 37       | O3        | 3967        | O2           | 17.073, 51.496, 17.059 | 16.503, 49.125, 14.081 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 110   | SER     | A        | 0         | UNK         | d            | True      | 2.71     | 3.56     | 147.02    | False     | 35       | O3        | 1066        | O3           | 19.330, 52.987, 21.010 | 20.966, 56.104, 21.567 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 269   | ARG     | A        | 0         | UNK         | d            | True      | 3.07     | 3.43     | 101.94    | True      | 2619     | Ng+       | 33          | O3           | 11.969, 48.883, 20.240 | 13.234, 48.338, 23.377 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 269   | ARG     | A        | 0         | UNK         | d            | True      | 2.56     | 3.19     | 119.69    | True      | 2620     | Ng+       | 33          | O3           | 11.969, 48.883, 20.240 | 12.548, 50.450, 22.963 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+


**Salt Bridges**
+-------+---------+----------+-------------------+-----------+-------------+--------------+------+-----------+-------------+--------------+------------------------+------------------------+
| RESNR | RESTYPE | RESCHAIN | PROT_IDX_LIST     | RESNR_LIG | RESTYPE_LIG | RESCHAIN_LIG | DIST | PROTISPOS | LIG_GROUP   | LIG_IDX_LIST | LIGCOO                 | PROTCOO                | 
+=======+=========+==========+===================+===========+=============+==============+======+===========+=============+==============+========================+========================+
| 76    | ARG     | F        | 13709,13711,13712 | 0         | UNK         | d            | 5.05 | True      | Carboxylate | 1,11         | 15.203, 52.630, 19.184 | 14.873, 52.181, 14.168 | 
+-------+---------+----------+-------------------+-----------+-------------+--------------+------+-----------+-------------+--------------+------------------------+------------------------+
| 109   | ARG     | A        | 1051,1053,1054    | 0         | UNK         | d            | 4.00 | True      | Carboxylate | 8,9          | 16.457, 54.232, 22.450 | 14.365, 52.256, 25.224 | 
+-------+---------+----------+-------------------+-----------+-------------+--------------+------+-----------+-------------+--------------+------------------------+------------------------+


**pi-Stacking**
+-------+---------+----------+-----------+-------------+--------------+-------------------------------+----------+-------+--------+------+-------------------+-----------------------+-----------------------+
| RESNR | RESTYPE | RESCHAIN | RESNR_LIG | RESTYPE_LIG | RESCHAIN_LIG | PROT_IDX_LIST                 | CENTDIST | ANGLE | OFFSET | TYPE | LIG_IDX_LIST      | LIGCOO                | PROTCOO               | 
+=======+=========+==========+===========+=============+==============+===============================+==========+=======+========+======+===================+=======================+=======================+
| 105   | TYR     | A        | 0         | UNK         | d            | 1012,1013,1014,1015,1016,1017 | 3.71     | 5.19  | 0.45   | P    | 23,24,25,26,27,28 | 7.236, 55.228, 20.704 | 9.776, 57.409, 22.297 | 
+-------+---------+----------+-----------+-------------+--------------+-------------------------------+----------+-------+--------+------+-------------------+-----------------------+-----------------------+



