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 | 21           | 3822          | 13.303, 50.546, 19.190 | 16.776, 49.804, 20.701 | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+------------------------+------------------------+
| 70    | PHE     | B        | 0         | UNK         | d            | 3.96 | 21           | 3857          | 13.303, 50.546, 19.190 | 13.619, 47.566, 16.601 | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+------------------------+------------------------+
| 105   | TYR     | A        | 0         | UNK         | d            | 3.90 | 23           | 1010          | 7.984, 55.067, 19.324  | 10.360, 58.151, 19.581 | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+------------------------+------------------------+
| 106   | ALA     | A        | 0         | UNK         | d            | 3.32 | 12           | 1024          | 12.485, 52.806, 18.928 | 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      | 3.26     | 3.85     | 120.46    | True      | 3793     | Npl       | 34          | O3           | 19.348, 53.213, 20.883 | 22.176, 54.066, 23.359 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 67    | GLU     | B        | 0         | UNK         | d            | True      | 2.35     | 3.09     | 135.53    | True      | 3825     | O3        | 8           | O3           | 17.225, 53.416, 23.181 | 16.811, 50.356, 23.005 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 67    | GLU     | B        | 0         | UNK         | d            | True      | 2.15     | 3.09     | 163.50    | False     | 8        | O3        | 3825        | O3           | 17.225, 53.416, 23.181 | 16.811, 50.356, 23.005 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 69    | GLU     | B        | 0         | UNK         | d            | False     | 2.53     | 3.01     | 110.62    | False     | 32       | O3        | 3843        | O2           | 11.972, 48.887, 20.219 | 13.248, 46.161, 20.083 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 71    | SER     | B        | 0         | UNK         | d            | False     | 3.00     | 3.84     | 145.17    | True      | 3862     | Nam       | 19          | O2           | 9.601, 49.647, 21.045  | 8.740, 46.815, 18.596  | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 76    | ARG     | F        | 0         | UNK         | d            | True      | 2.82     | 3.16     | 100.60    | True      | 13708    | Ng+       | 36          | O3           | 17.125, 51.312, 17.082 | 16.145, 52.548, 14.346 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 76    | ARG     | F        | 0         | UNK         | d            | True      | 3.71     | 4.05     | 102.82    | True      | 13711    | Ng+       | 36          | O3           | 17.125, 51.312, 17.082 | 14.550, 50.914, 13.985 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 76    | ARG     | F        | 0         | UNK         | d            | False     | 3.26     | 3.70     | 109.74    | False     | 38       | O3        | 13704       | O2           | 19.388, 52.957, 18.003 | 21.400, 54.001, 15.078 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 109   | ARG     | A        | 0         | UNK         | d            | True      | 2.25     | 3.06     | 138.21    | True      | 1050     | Ng+       | 8           | O3           | 17.225, 53.416, 23.181 | 14.418, 53.311, 24.394 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 109   | ARG     | A        | 0         | UNK         | d            | True      | 3.02     | 3.64     | 120.10    | True      | 1053     | Ng+       | 8           | O3           | 17.225, 53.416, 23.181 | 15.043, 51.102, 24.956 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 269   | ARG     | A        | 0         | UNK         | d            | True      | 3.08     | 3.44     | 102.23    | True      | 2618     | Ng+       | 32          | O3           | 11.972, 48.887, 20.219 | 13.234, 48.338, 23.377 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 269   | ARG     | A        | 0         | UNK         | d            | True      | 2.58     | 3.21     | 120.04    | True      | 2619     | Ng+       | 32          | O3           | 11.972, 48.887, 20.219 | 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        | 13708,13710,13711 | 0         | UNK         | d            | 4.94 | True      | Carboxylate | 1,10         | 15.230, 52.643, 19.070 | 14.873, 52.181, 14.168 | 
+-------+---------+----------+-------------------+-----------+-------------+--------------+------+-----------+-------------+--------------+------------------------+------------------------+


**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            | 1011,1012,1013,1014,1015,1016 | 3.73     | 5.31  | 0.61   | P    | 22,23,24,25,26,27 | 7.285, 55.274, 20.513 | 9.776, 57.409, 22.297 | 
+-------+---------+----------+-----------+-------------+--------------+-------------------------------+----------+-------+--------+------+-------------------+-----------------------+-----------------------+



