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): D,E,F


**Hydrophobic Interactions**
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+-----------------------+------------------------+
| RESNR | RESTYPE | RESCHAIN | RESNR_LIG | RESTYPE_LIG | RESCHAIN_LIG | DIST | LIGCARBONIDX | PROTCARBONIDX | LIGCOO                | PROTCOO                | 
+=======+=========+==========+===========+=============+==============+======+==============+===============+=======================+========================+
| 67    | GLU     | F        | 0         | UNK         | d            | 3.79 | 22           | 13619         | 30.134, 61.260, 9.898 | 31.916, 58.543, 7.950  | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+-----------------------+------------------------+
| 70    | PHE     | F        | 0         | UNK         | d            | 3.93 | 22           | 13654         | 30.134, 61.260, 9.898 | 29.578, 58.991, 13.057 | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+-----------------------+------------------------+
| 105   | TYR     | E        | 0         | UNK         | d            | 3.78 | 27           | 10807         | 26.814, 68.891, 9.048 | 26.132, 67.158, 5.764  | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+-----------------------+------------------------+
| 106   | ALA     | E        | 0         | UNK         | d            | 3.28 | 13           | 10821         | 28.610, 62.786, 8.804 | 26.310, 62.195, 6.545  | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+-----------------------+------------------------+


**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     | F        | 0         | UNK         | d            | True      | 3.27     | 3.75     | 111.87    | True      | 13590    | Npl       | 33          | O3           | 30.609, 57.874, 4.054  | 32.008, 56.637, 0.805  | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 71    | SER     | F        | 0         | UNK         | d            | False     | 2.91     | 3.76     | 145.61    | True      | 13659    | Nam       | 20          | O2           | 31.911, 64.659, 11.698 | 31.460, 63.473, 15.239 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 76    | ARG     | D        | 0         | UNK         | d            | True      | 3.63     | 3.98     | 103.77    | True      | 8811     | Ng+       | 35          | O3           | 28.096, 57.645, 8.124  | 25.833, 58.851, 11.172 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 79    | ASP     | D        | 0         | UNK         | d            | True      | 2.03     | 2.91     | 156.62    | True      | 8846     | O3        | 37          | O3           | 28.209, 56.810, 5.302  | 28.465, 55.928, 2.537  | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 106   | ALA     | E        | 0         | UNK         | d            | False     | 1.84     | 2.70     | 144.13    | False     | 9        | O.co2     | 10820       | O2           | 30.153, 61.974, 4.690  | 27.699, 61.569, 3.640  | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 110   | SER     | E        | 0         | UNK         | d            | False     | 3.21     | 3.53     | 100.65    | True      | 10857    | Nam       | 9           | O.co2        | 30.153, 61.974, 4.690  | 29.787, 61.607, 1.200  | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 110   | SER     | E        | 0         | UNK         | d            | True      | 3.10     | 3.51     | 107.08    | False     | 33       | O3        | 10862       | O3           | 30.609, 57.874, 4.054  | 29.372, 57.931, 0.768  | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 269   | ARG     | E        | 0         | UNK         | d            | True      | 3.06     | 3.43     | 103.17    | True      | 12415    | Ng+       | 31          | O3           | 31.812, 62.059, 11.357 | 34.795, 61.795, 9.679  | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 269   | ARG     | E        | 0         | UNK         | d            | True      | 2.56     | 3.21     | 121.32    | True      | 12416    | Ng+       | 31          | O3           | 31.812, 62.059, 11.357 | 33.260, 63.149, 8.708  | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+


**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     | D        | 8808,8810,8811    | 0         | UNK         | d            | 4.76 | True      | Carboxylate | 1,11         | 29.051, 60.457, 7.431 | 25.276, 59.154, 10.023 | 
+-------+---------+----------+-------------------+-----------+-------------+--------------+------+-----------+-------------+--------------+-----------------------+------------------------+
| 109   | ARG     | E        | 10847,10849,10850 | 0         | UNK         | d            | 4.00 | True      | Carboxylate | 8,9          | 30.891, 61.294, 4.143 | 34.249, 63.076, 5.401  | 
+-------+---------+----------+-------------------+-----------+-------------+--------------+------+-----------+-------------+--------------+-----------------------+------------------------+


**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     | E        | 0         | UNK         | d            | 10808,10809,10810,10811,10812,10813 | 3.76     | 4.26  | 0.82   | P    | 23,24,25,26,27,28 | 28.201, 68.736, 9.063 | 28.767, 68.202, 5.389 | 
+-------+---------+----------+-----------+-------------+--------------+-------------------------------------+----------+-------+--------+------+-------------------+-----------------------+-----------------------+



