2PWM

crystal structure of hiv-1 ca146 a92e real cell

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 108
  • Norm. En. per Res.: -2.5146
• Hub Node: A(4)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-30.7032	-5.0161	-193.726	-229.4452	103	14	5	8748	7	19	19
A-D	-10.2408	18.2485	-70.9802	-62.9725	80	9	2	4823	2	42	43
A-E	0.0	0.0	-7.9187	-7.9187	15	0	0	433	0	1	2
A-H	0.0	-4.1082	-36.6656	-40.7739	20	0	0	1762	0	3	6
B-E	0.0	0.0	-44.8829	-44.8829	20	1	1	1658	0	0	0
B-F	0.0	0.0	-0.3176	-0.3176	7	0	0	78	0	0	3
C-D	-55.1772	-28.6443	-174.191	-258.0126	103	25	4	8187	15	18	19
C-G	0.0	0.0	-9.3464	-9.3464	23	0	0	436	0	1	2
D-G	0.0	0.0	-45.6963	-45.6963	21	1	1	1704	0	0	0
D-H	-3.4368	0.0	-42.3265	-45.7633	24	0	0	1463	0	4	4
E-F	-62.6272	13.7756	-222.72	-271.5716	108	12	5	9165	11	19	19
E-H	-12.8089	12.4919	-70.1177	-70.4347	80	8	2	4572	2	41	43
G-H	-39.3926	2.6388	-188.581	-225.3347	102	23	4	8293	12	18	19

Interface residues

• A-B: ALA14A, ALA14B, ALA22A, ALA22B, ALA42A, ALA42B, ALA47A, ARG132B, ARG18A, ARG18B, ASN121A, ASN121B, ASN21A, ASN21B, ASN5A, GLN13A, GLN13B, GLN4A, GLN4B, GLN7A, GLN7B, GLN9A, GLN9B, GLU128A, GLU128B, GLU29A, GLU29B, GLU35A, GLU35B, GLU45A, GLU45B, GLY46A, GLY46B, GLY8A, GLY8B, HIS120A, HIS120B, HIS12A, ILE115B, ILE124B, ILE135A, ILE135B, ILE15A, ILE15B, ILE2A, ILE2B, ILE37A, ILE37B, LEU20A, LEU20B, LEU43A, LEU43B, LEU6A, LEU6B, LYS131A, LYS131B, LYS25A, LYS25B, LYS30A, LYS30B, MET10A, MET10B, MET118B, MET39A, MET39B, PHE40A, PHE40B, PRO122A, PRO122B, PRO123A, PRO123B, PRO17A, PRO17B, PRO1A, PRO1B, PRO34A, PRO34B, PRO38A, PRO38B, SER16A, SER16B, SER41A, SER41B, SER44A, SER44B, THR119A, THR119B, THR19A, THR19B, TRP117B, TRP23A, TRP23B, VAL11A, VAL11B, VAL24A, VAL24B, VAL26A, VAL26B, VAL27A, VAL27B, VAL36B, VAL3A, VAL3B
• A-D: ALA105A, ALA105D, ALA77A, ALA77D, ALA78A, ALA78D, ALA88A, ALA88D, ARG100A, ARG100D, ARG82A, ARG82D, ARG97A, ARG97D, ASN74A, ASN74D, ASP103A, ASP103D, ASP81A, ASP81D, GLN67A, GLN67D, GLN95A, GLN95D, GLU113A, GLU113D, GLU71A, GLU71D, GLU75A, GLU75D, GLU76A, GLU76D, GLU79A, GLU79D, GLU98A, GLU98D, GLY101A, GLY101D, GLY106A, GLY106D, GLY89A, GLY89D, HIS84A, HIS84D, HIS87A, HIS87D, ILE73A, ILE73D, ILE91D, LEU83A, LEU83D, LYS140A, LYS140D, LYS70A, LYS70D, MET68A, MET68D, MET96A, MET96D, PRO85A, PRO85D, PRO90A, PRO90D, PRO93A, PRO93D, PRO99D, SER102A, SER102D, SER109A, THR107A, THR107D, THR108A, THR108D, THR72A, THR72D, TRP117A, TRP80A, TRP80D, VAL86A, VAL86D
• A-E: ALA64E, ALA65E, ARG143E, ASN121A, GLN67E, GLN95A, GLU71E, GLU92A, HIS120A, HIS62E, ILE141E, MET144E, PHE32E, PRO122A, TYR145E
• A-H: ALA64H, ALA65H, ALA88A, ARG143H, ASN139H, GLU71H, GLU92A, GLY137H, GLY89A, HIS87A, ILE141H, ILE91A, LYS140H, MET144H, MET68H, PRO90A, PRO93A, THR72H, TYR145H, VAL142H
• B-E: ALA31E, ASN5B, GLN7B, GLN9B, GLU28E, GLU29E, GLY60E, GLY61E, GLY8B, HIS62E, LEU6B, LYS25E, LYS30E, MET144E, PHE32E, SER33E, TYR145E, VAL26E, VAL27E, VAL36E
• B-F: ARG143F, GLN112B, GLU35F, MET96B, PRO34F, SER33F, VAL142F
• C-D: ALA14C, ALA14D, ALA22C, ALA22D, ALA42C, ALA42D, ALA47C, ALA47D, ARG132C, ARG18C, ARG18D, ASN121C, ASN121D, ASN21C, ASN21D, ASN5C, ASN5D, GLN13C, GLN13D, GLN4C, GLN4D, GLN7C, GLN7D, GLN9C, GLN9D, GLU128C, GLU128D, GLU28D, GLU29C, GLU29D, GLU35C, GLU35D, GLU45C, GLU45D, GLY127C, GLY127D, GLY46C, GLY46D, GLY8C, GLY8D, HIS120C, HIS120D, ILE135C, ILE135D, ILE15C, ILE15D, ILE2C, ILE2D, ILE37C, ILE37D, LEU20C, LEU20D, LEU43C, LEU43D, LEU52D, LEU6C, LEU6D, LYS131C, LYS131D, LYS25C, LYS25D, LYS30C, LYS30D, MET10C, MET10D, MET39C, MET39D, PHE40C, PHE40D, PRO122C, PRO122D, PRO123C, PRO123D, PRO17C, PRO17D, PRO1C, PRO1D, PRO34C, PRO34D, PRO38C, PRO38D, SER16C, SER16D, SER41C, SER41D, SER44C, SER44D, THR119C, THR119D, THR19C, THR19D, TRP23C, TRP23D, VAL11C, VAL11D, VAL24C, VAL24D, VAL26C, VAL26D, VAL27C, VAL27D, VAL3C, VAL3D
• C-G: ALA31G, ALA64G, ALA65G, ARG143G, ASN121C, GLN63G, GLN67G, GLN95C, GLN9C, GLU28G, GLU71G, GLU92C, GLY61G, GLY8C, GLY94C, HIS120C, HIS62G, ILE141G, MET144G, MET96C, PHE32G, PRO122C, TYR145G
• D-G: ALA31G, ASN5D, GLN7D, GLN9D, GLU28G, GLU29G, GLU35G, GLY60G, GLY61G, GLY8D, HIS62G, LEU6D, LYS25G, LYS30G, MET144G, PHE32G, SER33G, TYR145G, VAL26G, VAL27G, VAL36G
• D-H: ALA88D, ARG143H, ARG97D, ASN139H, GLN112D, GLN95D, GLN9D, GLU35H, GLU92D, GLY89D, GLY94D, ILE141H, ILE37H, ILE91D, LEU136H, LEU138H, LYS140H, MET96D, PRO34H, PRO90D, PRO93D, SER33H, TYR145H, VAL142H
• E-F: ALA14E, ALA14F, ALA22E, ALA22F, ALA42E, ALA42F, ALA47E, ARG132F, ARG18E, ARG18F, ASN121E, ASN121F, ASN21E, ASN21F, ASN5E, GLN13E, GLN13F, GLN4E, GLN4F, GLN7E, GLN7F, GLN9E, GLN9F, GLU128E, GLU128F, GLU28E, GLU28F, GLU29E, GLU29F, GLU35E, GLU35F, GLU45E, GLU45F, GLY127E, GLY127F, GLY46E, GLY46F, GLY8E, GLY8F, HIS120E, HIS120F, ILE115F, ILE124F, ILE135E, ILE135F, ILE15E, ILE15F, ILE2E, ILE2F, ILE37E, ILE37F, LEU20E, LEU20F, LEU43E, LEU43F, LEU52E, LEU6E, LEU6F, LYS131E, LYS131F, LYS25E, LYS25F, LYS30E, LYS30F, MET10E, MET10F, MET118E, MET118F, MET39E, MET39F, PHE40E, PHE40F, PRO122E, PRO122F, PRO123E, PRO123F, PRO17E, PRO17F, PRO1E, PRO1F, PRO34E, PRO34F, PRO38E, PRO38F, SER16E, SER16F, SER41E, SER41F, SER44E, SER44F, THR119E, THR119F, THR19E, THR19F, TRP117F, TRP23E, TRP23F, VAL11E, VAL11F, VAL24E, VAL24F, VAL26E, VAL26F, VAL27E, VAL27F, VAL36F, VAL3E, VAL3F
• E-H: ALA105E, ALA105H, ALA77E, ALA77H, ALA78E, ALA78H, ALA88E, ALA88H, ARG100E, ARG100H, ARG82E, ARG82H, ARG97E, ARG97H, ASN74E, ASN74H, ASP103E, ASP103H, ASP81E, ASP81H, GLN67E, GLN67H, GLN95E, GLN95H, GLU113E, GLU113H, GLU71E, GLU71H, GLU75E, GLU75H, GLU76E, GLU76H, GLU79E, GLU79H, GLU98E, GLU98H, GLY101E, GLY101H, GLY106E, GLY106H, GLY89E, GLY89H, HIS84E, HIS84H, HIS87E, HIS87H, ILE73E, ILE73H, ILE91E, ILE91H, LEU83E, LEU83H, LYS140E, LYS140H, LYS70E, LYS70H, MET68E, MET68H, MET96E, MET96H, PRO85E, PRO85H, PRO90E, PRO90H, PRO93E, PRO93H, SER102E, SER102H, SER109E, THR107E, THR107H, THR108E, THR108H, THR72E, THR72H, TRP117E, TRP80E, TRP80H, VAL86E, VAL86H
• G-H: ALA14G, ALA14H, ALA22G, ALA22H, ALA42G, ALA42H, ALA47G, ALA47H, ARG132G, ARG18G, ARG18H, ASN121G, ASN121H, ASN21G, ASN21H, ASN5G, ASN5H, GLN13G, GLN13H, GLN4G, GLN4H, GLN7G, GLN7H, GLN9G, GLN9H, GLU128G, GLU128H, GLU29G, GLU29H, GLU35G, GLU35H, GLU45G, GLU45H, GLY127G, GLY127H, GLY46G, GLY46H, GLY8G, GLY8H, HIS120G, HIS120H, ILE115G, ILE135G, ILE135H, ILE15G, ILE15H, ILE2G, ILE2H, ILE37G, ILE37H, LEU20G, LEU20H, LEU43G, LEU43H, LEU52H, LEU6G, LEU6H, LYS131G, LYS131H, LYS25G, LYS25H, LYS30G, LYS30H, MET10G, MET10H, MET39G, MET39H, PHE40G, PHE40H, PRO122G, PRO122H, PRO123G, PRO123H, PRO17G, PRO17H, PRO1G, PRO1H, PRO34G, PRO34H, PRO38G, PRO38H, SER16G, SER16H, SER41G, SER41H, SER44G, SER44H, THR119G, THR119H, THR19G, THR19H, TRP23G, TRP23H, VAL11G, VAL11H, VAL24G, VAL26G, VAL26H, VAL27G, VAL27H, VAL3G, VAL3H