Prediction of noncovalent interactions for PDB structure COMPLEX_1_PROTEIN
==========================================================================
Created on 2026/03/31 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): B,C


**Hydrophobic Interactions**
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+--------------------------+--------------------------+
| RESNR | RESTYPE | RESCHAIN | RESNR_LIG | RESTYPE_LIG | RESCHAIN_LIG | DIST | LIGCARBONIDX | PROTCARBONIDX | LIGCOO                   | PROTCOO                  | 
+=======+=========+==========+===========+=============+==============+======+==============+===============+==========================+==========================+
| 85    | LYS     | B        | 0         | UNK         | d            | 3.72 | 17           | 4879          | 158.848, -13.087, -1.053 | 155.862, -15.074, -2.045 | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+--------------------------+--------------------------+
| 85    | LYS     | B        | 0         | UNK         | d            | 3.92 | 8            | 4878          | 159.206, -16.163, 0.687  | 155.570, -15.695, -0.693 | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+--------------------------+--------------------------+
| 231   | LEU     | B        | 0         | UNK         | d            | 3.68 | 16           | 5962          | 158.872, -12.488, -2.312 | 155.574, -11.205, -1.307 | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+--------------------------+--------------------------+
| 253   | THR     | C        | 0         | UNK         | d            | 3.98 | 3            | 10443         | 159.573, -15.838, 3.141  | 163.460, -16.224, 3.927  | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+--------------------------+--------------------------+


**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                  | 
+=======+=========+==========+===========+=============+==============+===========+==========+==========+===========+===========+==========+===========+=============+==============+==========================+==========================+
| 85    | LYS     | B        | 0         | UNK         | d            | True      | 2.93     | 3.75     | 137.67    | True      | 4881     | N3+       | 20          | O3           | 159.655, -12.452, -4.560 | 157.172, -15.228, -4.138 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+--------------------------+--------------------------+
| 88    | ASN     | B        | 0         | UNK         | d            | True      | 3.26     | 4.07     | 137.75    | True      | 4919     | Nam       | 2           | O2           | 158.871, -17.907, 2.239  | 156.583, -17.745, 5.604  | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+--------------------------+--------------------------+
| 228   | ASN     | C        | 0         | UNK         | d            | True      | 1.94     | 2.87     | 149.72    | True      | 10203    | Nam       | 18          | O3           | 161.136, -14.756, -4.089 | 162.666, -12.603, -5.207 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+--------------------------+--------------------------+
| 253   | THR     | C        | 0         | UNK         | d            | True      | 3.34     | 3.64     | 101.02    | True      | 10444    | O3        | 26          | O3           | 159.979, -15.832, 6.778  | 163.182, -17.398, 6.035  | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+--------------------------+--------------------------+
| 254   | ASN     | C        | 0         | UNK         | d            | False     | 1.95     | 2.95     | 167.57    | True      | 10446    | Nam       | 24          | O3           | 160.664, -13.223, 6.171  | 162.608, -14.545, 7.956  | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+--------------------------+--------------------------+
| 255   | SER     | C        | 0         | UNK         | d            | True      | 2.72     | 3.16     | 109.22    | True      | 10463    | O3        | 22          | O3           | 159.260, -17.566, 4.797  | 160.665, -18.759, 7.365  | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+--------------------------+--------------------------+
| 255   | SER     | C        | 0         | UNK         | d            | False     | 2.04     | 3.01     | 156.94    | True      | 10457    | Nam       | 26          | O3           | 159.979, -15.832, 6.778  | 161.494, -16.824, 9.180  | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+--------------------------+--------------------------+


**pi-Cation Interactions**
+-------+---------+----------+---------------+-----------+-------------+--------------+------+--------+-------------+-----------+-------------------+--------------------------+--------------------------+
| RESNR | RESTYPE | RESCHAIN | PROT_IDX_LIST | RESNR_LIG | RESTYPE_LIG | RESCHAIN_LIG | DIST | OFFSET | PROTCHARGED | LIG_GROUP | LIG_IDX_LIST      | LIGCOO                   | PROTCOO                  | 
+=======+=========+==========+===============+===========+=============+==============+======+========+=============+===========+===================+==========================+==========================+
| 85    | LYS     | B        | 4881          | 0         | UNK         | d            | 3.57 | 1.17   | True        | Aromatic  | 12,13,14,15,16,17 | 159.615, -13.645, -2.075 | 157.172, -15.228, -4.138 | 
+-------+---------+----------+---------------+-----------+-------------+--------------+------+--------+-------------+-----------+-------------------+--------------------------+--------------------------+



