2I26

crystal structure analysis of the nurse shark new antigen receptor ancestral variable domain in complex with lysozyme

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: O-M
  • Int. Res.: 67
  • Norm. En. per Res.: -4.9777
• Hub Node: N(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
N-L	-37.1077	-57.2443	-208.841	-303.193	69	10	2	7143	7	13	13
N-O	-17.1454	-3.4013	-130.97	-151.5168	83	14	0	6707	0	15	15
N-M	0.0	3.1122	-1.6639	1.4483	8	0	0	220	0	3	10
N-P	0.0	0.0	-0.9948	-0.9948	16	0	0	200	0	2	4
L-O	0.0	1.2006	-11.5908	-10.3902	13	0	0	571	0	6	9
L-P	0.0	-14.7135	-4.0798	-18.7933	10	1	0	174	0	7	4
L-Q	0.0	0.0	-0.2727	-0.2727	5	0	0	62	0	2	1
O-M	-58.6976	-82.699	-192.109	-333.5056	67	9	2	6800	6	12	13
O-P	-9.1868	0.0	-13.485	-22.6718	33	3	0	907	0	2	3
M-P	0.0	0.0	-1.2958	-1.2958	11	0	0	111	0	3	2
P-Q	-54.9434	-56.3387	-194.405	-305.6871	68	6	1	6832	6	14	14

Interface residues

• N-L: ALA107L, ALA110L, ALA30N, ALA31L, ALA94N, ALA95L, ALA97N, ALA98N, ARG112L, ARG45L, ARG61L, ARG73L, ARG88N, ASN100N, ASN103L, ASN106L, ASN113L, ASN28N, ASN44L, ASN46L, ASN59L, ASP101L, ASP101N, ASP48L, ASP52L, ASP93N, CYS29N, CYS94L, CYS96N, GLN57L, GLU35L, GLU86N, GLU95N, GLY102L, GLY104L, GLY49L, GLY90N, ILE58L, ILE98L, LEU31N, LEU56L, LEU75L, LEU99N, LYS116L, LYS64N, LYS84N, LYS97L, MET105L, PHE34L, PRO85N, SER32N, SER33N, SER50L, SER60L, SER61N, SER87N, SER91N, THR47L, THR51L, TRP108L, TRP111L, TRP62L, TRP63L, TYR35N, TYR53L, TYR89N, TYR92N, VAL109L, VAL99L
• N-O: ARG25N, ARG25O, ARG2N, ARG2O, ARG69N, ARG69O, ASN21N, ASN21O, ASN28O, ASN60N, ASN60O, ASN71N, ASP26N, ASP26O, ASP4N, ASP4O, ASP72N, CYS22N, CYS22O, CYS29O, GLN5N, GLN5O, GLN8N, GLN8O, GLU16N, GLU16O, GLY62N, GLY62O, HIS118N, HIS119N, ILE10N, ILE10O, ILE20N, ILE20O, ILE70N, ILE70O, LEU18N, LEU18O, LEU24N, LEU24O, LEU68N, LEU68O, LEU73O, LYS12N, LYS12O, LYS64N, LYS64O, PHE66N, PHE66O, PRO7N, PRO7O, SER17N, SER17O, SER27N, SER27O, SER61N, SER61O, SER63N, SER63O, SER65N, SER65O, SER67N, SER67O, THR107N, THR107O, THR110O, THR11N, THR11O, THR19N, THR19O, THR58N, THR58O, THR6N, THR6O, THR9N, THR9O, VAL108O, VAL109N, VAL23N, VAL23O, VAL56N, VAL59N, VAL59O
• N-M: ARG112M, ASN106M, GLY117M, HIS116N, HIS118N, HIS119N, LYS116M, THR118M
• N-P: ARG69N, ASN71N, ASP72N, GLN8P, GLU57N, GLY52N, GLY53N, ILE10P, LYS12P, LYS51N, PRO7P, THR11P, THR58N, THR6P, THR9P, VAL56N
• L-O: ALA115O, ASN106L, ASP119L, GLU13O, GLU16O, GLY117L, HIS116O, HIS117O, HIS118O, LYS116L, THR118L, TRP111L, TYR23L
• L-P: ARG21L, ARG25P, ASN28P, ASP101L, ASP26P, GLU95P, GLY102L, GLY22L, SER100L, SER27P
• L-Q: ARG114Q, ASN113Q, ASN19L, ASP18L, LYS13L
• O-M: ALA107M, ALA110M, ALA30O, ALA31M, ALA94O, ALA95M, ALA97O, ALA98O, ARG112M, ARG45M, ARG61M, ARG73M, ARG88O, ASN100O, ASN103M, ASN106M, ASN113M, ASN28O, ASN44M, ASN46M, ASN59M, ASP101M, ASP101O, ASP48M, ASP52M, ASP93O, CYS29O, CYS96O, GLN57M, GLU35M, GLU86O, GLU95O, GLY102M, GLY104M, GLY49M, GLY90O, ILE58M, ILE98M, LEU31O, LEU56M, LEU75M, LEU99O, LYS64O, LYS84O, LYS97M, MET105M, PHE34M, PRO85O, SER32O, SER33O, SER50M, SER60M, SER61O, SER87O, SER91O, THR47M, THR51M, TRP108M, TRP111M, TRP62M, TRP63M, TYR35O, TYR53M, TYR89O, TYR92O, VAL109M, VAL99M
• O-P: ARG25P, ARG54O, ARG69O, ARG69P, ASN21P, ASN60P, ASN71O, ASP72O, GLU16P, GLU57O, GLY52O, GLY53O, GLY62O, GLY62P, LYS12P, LYS51O, LYS64P, PHE66P, SER17O, SER17P, SER61O, SER61P, SER63P, SER65P, SER67P, THR19P, THR58O, THR58P, TYR55O, VAL23P, VAL56O, VAL59O, VAL59P
• M-P: ALA115P, ARG21M, ASN19M, ASN71P, ASP72P, GLU16P, GLY102M, GLY15P, GLY22M, LEU73P, THR14P
• P-Q: ALA107Q, ALA110Q, ALA30P, ALA31Q, ALA94P, ALA95Q, ALA97P, ALA98P, ARG112Q, ARG45Q, ARG61Q, ARG73Q, ARG88P, ASN100P, ASN103Q, ASN106Q, ASN113Q, ASN28P, ASN44Q, ASN46Q, ASN59Q, ASP101P, ASP101Q, ASP48Q, ASP52Q, ASP93P, CYS29P, CYS96P, GLN102P, GLN57Q, GLU35Q, GLU86P, GLU95P, GLY102Q, GLY104Q, GLY49Q, GLY90P, ILE58Q, ILE98Q, LEU31P, LEU56Q, LEU75Q, LEU99P, LYS116Q, LYS64P, LYS84P, MET105Q, PHE34Q, PRO85P, SER32P, SER33P, SER50Q, SER60Q, SER61P, SER87P, SER91P, THR47Q, THR51Q, TRP108Q, TRP111Q, TRP62Q, TRP63Q, TYR35P, TYR53Q, TYR89P, TYR92P, VAL109Q, VAL99Q