3HXA

crystal structure of dcoh1thr51ser

• Total interactions analyzed: 28
• Total true interactions: 14
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 72
  • Norm. En. per Res.: -3.6125
• 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	-50.5198	11.1378	-227.767	-267.1489	75	6	5	7361	0	17	17
A-C	-37.4507	34.1287	-133.361	-136.683	56	8	2	5629	0	5	12
A-D	0.0	-18.7612	-51.902	-70.6632	31	1	3	2387	0	10	11
A-E	0.0	-1.1647	-46.4433	-47.608	38	0	4	2417	0	6	8
B-C	0.0	-19.3258	-53.6225	-72.9483	32	3	3	2416	0	10	11
B-D	-30.949	35.1213	-128.171	-123.9987	55	6	2	5513	0	5	12
C-D	-47.5221	12.2553	-224.835	-260.1019	72	6	5	7351	0	18	17
C-E	0.0	0.0	-0.461	-0.461	8	0	0	51	0	5	1
E-F	-39.8131	11.0332	-219.693	-248.4729	75	4	5	7310	0	18	17
E-G	-37.6569	35.732	-138.194	-140.1189	54	7	2	5631	0	4	12
E-H	0.0	-20.6071	-56.6071	-77.2142	32	4	3	2505	0	10	11
F-G	0.0	-24.6827	-58.7708	-83.4535	32	4	3	2524	0	10	12
F-H	-38.7155	35.2108	-121.481	-124.9857	53	9	2	5583	0	5	12
G-H	-40.163	12.0965	-225.742	-253.8085	75	7	5	7429	0	18	17

Interface residues

• A-B: ALA46A, ALA46B, ALA54A, ALA54B, ALA57A, ALA57B, ARG31A, ARG31B, ARG45A, ARG45B, ARG52A, ARG52B, ASN44A, ASN44B, ASN68A, ASN68B, ASN71A, ASN71B, ASP42A, ASP42B, ASP61A, ASP61B, GLN56A, GLN56B, GLU58A, GLU58B, GLU65A, GLU65B, GLY48A, GLY48B, HIS62A, HIS62B, HIS63A, HIS63B, HIS74A, HIS74B, HIS80A, ILE75A, ILE75B, LEU55A, LEU55B, LEU77A, LYS59A, LYS59B, LYS72A, LYS72B, MET50A, MET50B, PHE35A, PHE35B, PHE43A, PHE43B, PHE47A, PHE47B, PHE49A, PHE49B, PHE67A, PHE67B, PRO64A, PRO64B, SER51A, SER51B, SER78A, THR76A, THR76B, TRP66A, TRP66B, TYR70A, TYR70B, VAL53A, VAL53B, VAL69A, VAL69B, VAL73A, VAL73B
• A-C: ALA46A, ALA46C, ALA54A, ALA54C, ALA57A, ALA57C, ARG45A, ARG45C, ARG52A, ARG52C, ASN44A, ASN44C, ASP42A, ASP42C, GLN56A, GLN56C, GLN98A, GLN98C, GLU58A, GLU58C, GLY48A, GLY48C, LEU55A, LEU55C, LEU60C, LYS41A, LYS41C, LYS59A, LYS59C, MET103A, MET103C, MET50A, MET50C, PHE40A, PHE40C, PHE43A, PHE43C, PHE47A, PHE47C, PHE49A, PHE49C, PHE95A, PHE95C, SER102A, SER102C, SER51A, SER51C, THR104A, TYR70A, TYR70C, VAL101A, VAL101C, VAL53A, VAL53C, VAL99A, VAL99C
• A-D: ALA54A, ALA54D, ALA57A, ALA57D, ARG52A, ARG52D, ASP61A, ASP61D, GLN56A, GLN56D, GLU58A, GLU58D, HIS63A, HIS63D, LEU55A, LEU55D, LEU60A, LEU60D, LYS59A, LYS59D, MET50A, MET50D, PHE47A, PHE47D, PHE95A, SER51A, SER51D, TRP66A, TRP66D, VAL53A, VAL53D
• A-E: ALA100A, ALA100E, ALA22A, ALA22E, ARG21A, ARG21E, ASN19A, ASN19E, ASN26E, ASP14A, GLN15A, GLN37E, GLN98A, GLU97A, GLU97E, GLY24E, HIS39E, ILE96A, LEU17E, LEU20A, LEU20E, LYS36A, LYS36E, MET103A, MET103E, PHE38E, PHE95A, PRO18A, PRO18E, SER102A, SER94A, THR104A, TRP25E, VAL101A, VAL101E, VAL23A, VAL23E, VAL99A
• B-C: ALA54B, ALA54C, ALA57B, ALA57C, ARG52B, ARG52C, ASP61B, ASP61C, GLN56B, GLN56C, GLU58B, GLU58C, HIS63B, HIS63C, LEU55B, LEU55C, LEU60B, LEU60C, LYS59B, LYS59C, MET50B, MET50C, PHE47B, PHE47C, PHE95B, PHE95C, SER51B, SER51C, TRP66B, TRP66C, VAL53B, VAL53C
• B-D: ALA100D, ALA46B, ALA46D, ALA54B, ALA54D, ALA57B, ALA57D, ARG45B, ARG45D, ARG52B, ARG52D, ASN44B, ASN44D, ASP42B, ASP42D, GLN56B, GLN56D, GLN98B, GLN98D, GLU58B, GLU58D, GLY48B, GLY48D, LEU55B, LEU55D, LYS41B, LYS41D, LYS59B, LYS59D, MET103B, MET103D, MET50B, MET50D, PHE40B, PHE40D, PHE43B, PHE43D, PHE47B, PHE47D, PHE49B, PHE49D, PHE95B, PHE95D, SER102B, SER102D, SER51B, SER51D, TYR70B, TYR70D, VAL101B, VAL101D, VAL53B, VAL53D, VAL99B, VAL99D
• C-D: ALA46C, ALA46D, ALA54C, ALA54D, ALA57C, ALA57D, ARG31C, ARG31D, ARG45C, ARG45D, ARG52C, ARG52D, ASN44C, ASN44D, ASN68C, ASN68D, ASN71C, ASN71D, ASP42C, ASP42D, ASP61C, ASP61D, GLN56C, GLN56D, GLU58C, GLU58D, GLU65C, GLU65D, GLY48C, GLY48D, HIS62C, HIS62D, HIS63C, HIS63D, HIS74C, HIS74D, HIS80C, HIS80D, ILE75C, ILE75D, LEU55C, LEU55D, LYS59C, LYS59D, LYS72C, LYS72D, MET50C, MET50D, PHE43C, PHE43D, PHE47C, PHE47D, PHE49C, PHE49D, PHE67C, PHE67D, PRO64C, PRO64D, SER51C, SER51D, THR76C, THR76D, TRP66C, TRP66D, TYR70C, TYR70D, VAL53C, VAL53D, VAL69C, VAL69D, VAL73C, VAL73D
• C-E: ALA10E, ARG21E, ARG45C, ASP14E, MET103C, PRO18E, SER102C, VAL101C
• E-F: ALA46E, ALA46F, ALA54E, ALA54F, ALA57E, ALA57F, ARG31E, ARG31F, ARG45E, ARG45F, ARG52E, ARG52F, ASN44E, ASN44F, ASN68E, ASN68F, ASN71E, ASN71F, ASP42E, ASP42F, ASP61E, ASP61F, GLN56E, GLN56F, GLU58E, GLU58F, GLU65E, GLU65F, GLY48E, GLY48F, HIS62E, HIS62F, HIS63E, HIS63F, HIS74E, HIS74F, HIS80E, HIS80F, ILE75E, ILE75F, LEU55E, LEU55F, LEU77E, LYS59E, LYS59F, LYS72E, LYS72F, MET50E, MET50F, PHE35F, PHE43E, PHE43F, PHE47E, PHE47F, PHE49E, PHE49F, PHE67E, PHE67F, PRO64E, PRO64F, SER51E, SER51F, SER78E, THR76E, THR76F, TRP66E, TRP66F, TYR70E, TYR70F, VAL53E, VAL53F, VAL69E, VAL69F, VAL73E, VAL73F
• E-G: ALA46E, ALA46G, ALA54E, ALA54G, ALA57E, ALA57G, ARG45E, ARG45G, ARG52E, ARG52G, ASN44E, ASN44G, ASP42E, ASP42G, GLN56E, GLN56G, GLN98E, GLN98G, GLU58E, GLU58G, GLY48E, GLY48G, LEU55E, LEU55G, LYS41E, LYS41G, LYS59E, LYS59G, MET103E, MET103G, MET50E, MET50G, PHE40E, PHE40G, PHE43E, PHE43G, PHE47E, PHE47G, PHE49E, PHE49G, PHE95E, PHE95G, SER102E, SER102G, SER51E, SER51G, TYR70E, TYR70G, VAL101E, VAL101G, VAL53E, VAL53G, VAL99E, VAL99G
• E-H: ALA54E, ALA54H, ALA57E, ALA57H, ARG52E, ARG52H, ASP61E, ASP61H, GLN56E, GLN56H, GLU58E, GLU58H, HIS63E, HIS63H, LEU55E, LEU55H, LEU60E, LEU60H, LYS59E, LYS59H, MET50E, MET50H, PHE47E, PHE47H, PHE95E, PHE95H, SER51E, SER51H, TRP66E, TRP66H, VAL53E, VAL53H
• F-G: ALA54F, ALA54G, ALA57F, ALA57G, ARG52F, ARG52G, ASP61F, ASP61G, GLN56F, GLN56G, GLU58F, GLU58G, HIS63F, HIS63G, LEU55F, LEU55G, LEU60F, LEU60G, LYS59F, LYS59G, MET50F, MET50G, PHE47F, PHE47G, PHE95F, PHE95G, SER51F, SER51G, TRP66F, TRP66G, VAL53F, VAL53G
• F-H: ALA46F, ALA46H, ALA54F, ALA54H, ALA57F, ALA57H, ARG45F, ARG45H, ARG52F, ARG52H, ASN44F, ASN44H, ASP42F, ASP42H, GLN56F, GLN56H, GLN98F, GLN98H, GLU58F, GLU58H, GLY48F, GLY48H, LEU55F, LEU55H, LYS41F, LYS41H, LYS59F, LYS59H, MET103F, MET103H, MET50F, MET50H, PHE40F, PHE40H, PHE43F, PHE43H, PHE47F, PHE47H, PHE49F, PHE49H, PHE95F, PHE95H, SER102F, SER102H, SER51F, SER51H, TYR70F, TYR70H, VAL101F, VAL53F, VAL53H, VAL99F, VAL99H
• G-H: ALA46G, ALA46H, ALA54G, ALA54H, ALA57G, ALA57H, ARG31G, ARG31H, ARG45G, ARG45H, ARG52G, ARG52H, ASN44G, ASN44H, ASN68G, ASN68H, ASN71G, ASN71H, ASP42G, ASP42H, ASP61G, ASP61H, GLN56G, GLN56H, GLU58G, GLU58H, GLU65G, GLU65H, GLY48G, GLY48H, HIS62G, HIS62H, HIS63G, HIS63H, HIS74G, HIS74H, HIS80G, HIS80H, ILE75G, ILE75H, LEU55G, LEU55H, LEU77G, LYS59G, LYS59H, LYS72G, LYS72H, MET50G, MET50H, PHE35H, PHE43G, PHE43H, PHE47G, PHE47H, PHE49G, PHE49H, PHE67G, PHE67H, PRO64G, PRO64H, SER51G, SER51H, SER78G, THR76G, THR76H, TRP66G, TRP66H, TYR70G, TYR70H, VAL53G, VAL53H, VAL69G, VAL69H, VAL73G, VAL73H