Prediction of noncovalent interactions for PDB structure 2ITO_CRYSTAL_NW_PROTEIN
================================================================================
Created on 2026/09/12 using PLIP v3.0.1

If you are using PLIP in your work, please cite:
Schake,P. Bolz,SN. et al. PLIP 2025: introducing protein–protein interactions to the protein–ligand interaction profiler. Nucl. Acids Res. (10 May 2025), gkaf361. doi: 10.1093/nar/gkaf361
Analysis was done on model 1.

IRE:A:2020 (IRE) - SMALLMOLECULE
--------------------------------
Interacting chain(s): A


**Hydrophobic Interactions**
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+-------------------------+-------------------------+
| RESNR | RESTYPE | RESCHAIN | RESNR_LIG | RESTYPE_LIG | RESCHAIN_LIG | DIST | LIGCARBONIDX | PROTCARBONIDX | LIGCOO                  | PROTCOO                 | 
+=======+=========+==========+===========+=============+==============+======+==============+===============+=========================+=========================+
| 790   | THR     | A        | 2020      | IRE         | A            | 3.60 | 2444         | 731           | -50.925, 1.714, -25.133 | -53.738, 3.929, -25.508 | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+-------------------------+-------------------------+
| 793   | MET     | A        | 2020      | IRE         | A            | 3.73 | 2432         | 753           | -52.195, 1.859, -18.839 | -55.851, 1.183, -19.180 | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+-------------------------+-------------------------+


**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                 | 
+=======+=========+==========+===========+=============+==============+===========+==========+==========+===========+===========+==========+===========+=============+==============+=========================+=========================+
| 793   | MET     | A        | 2020      | IRE         | A            | False     | 2.07     | 2.92     | 143.02    | True      | 749      | Nam       | 2438        | Nar          | -53.370, 2.446, -20.819 | -55.441, 3.602, -19.122 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+-------------------------+-------------------------+


**Salt Bridges**
+-------+---------+----------+---------------+-----------+-------------+--------------+------+-----------+-----------+--------------+--------------------------+--------------------------+
| RESNR | RESTYPE | RESCHAIN | PROT_IDX_LIST | RESNR_LIG | RESTYPE_LIG | RESCHAIN_LIG | DIST | PROTISPOS | LIG_GROUP | LIG_IDX_LIST | LIGCOO                   | PROTCOO                  | 
+=======+=========+==========+===============+===========+=============+==============+======+===========+===========+==============+==========================+==========================+
| 800   | ASP     | A        | 807,808       | 2020      | IRE         | A            | 4.41 | False     | Tertamine | 2425         | -46.131, -3.393, -16.914 | -47.889, -6.438, -14.248 | 
+-------+---------+----------+---------------+-----------+-------------+--------------+------+-----------+-----------+--------------+--------------------------+--------------------------+


**Halogen Bonds**
+-------+---------+----------+-----------+-------------+--------------+-----------+------+-----------+-----------+---------+-----------+---------+--------------+-------------------------+-------------------------+
| RESNR | RESTYPE | RESCHAIN | RESNR_LIG | RESTYPE_LIG | RESCHAIN_LIG | SIDECHAIN | DIST | DON_ANGLE | ACC_ANGLE | DON_IDX | DONORTYPE | ACC_IDX | ACCEPTORTYPE | LIGCOO                  | PROTCOO                 | 
+=======+=========+==========+===========+=============+==============+===========+======+===========+===========+=========+===========+=========+==============+=========================+=========================+
| 788   | LEU     | A        | 2020      | IRE         | A            | False     | 3.29 | 163.19    | 108.71    | 2446    | Cl        | 712     | O2           | -50.943, 3.360, -27.240 | -49.908, 6.278, -28.338 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+------+-----------+-----------+---------+-----------+---------+--------------+-------------------------+-------------------------+



