1XF3

structure of ligand-free fab dna-1 in space group p65

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 187
  • Norm. En. per Res.: -2.9214
• Hub Node: H(2)

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
L-H	-51.1267	-18.1129	-457.307	-526.5466	191	21	10	18276	2	15	17
L-B	0.0	0.0	-16.8477	-16.8477	22	0	0	1054	0	4	1
H-A	0.0	0.0	-24.492	-24.492	23	0	0	1326	0	4	1
H-B	-58.3611	5.6025	-100.341	-153.0995	56	10	1	4156	0	10	14
A-B	-48.4107	-14.7758	-483.108	-546.2945	187	11	11	18765	1	18	15

Interface residues

• L-H: ALA100H, ALA100L, ALA125H, ALA130L, ALA168H, ALA34L, ALA51L, ALA55L, ARG211L, ARG213H, ARG94H, ARG98H, ASN133H, ASN137L, ASN138L, ASN157L, ASN161L, ASN210L, ASN50L, ASN60H, ASP101H, ASP165L, ASP167L, ASP170L, ASP214H, CYS134L, CYS140H, CYS215H, CYS88L, CYS92H, GLN105H, GLN124L, GLN171H, GLN37L, GLN38L, GLN39H, GLN40L, GLN43H, GLN45L, GLN89L, GLU123L, GLU213L, GLU46H, GLU56L, GLU61H, GLU6H, GLY101L, GLY104H, GLY106H, GLY127H, GLY128L, GLY129L, GLY139H, GLY158L, GLY162H, GLY41L, GLY42H, GLY44H, GLY49H, GLY93L, GLY95H, GLY96H, GLY99L, HIS164H, HIS35H, HIS90L, HIS91L, ILE117L, ILE210H, ILE48H, LEU124H, LEU125L, LEU136L, LEU138H, LEU141H, LEU160L, LEU170H, LEU174H, LEU177H, LEU179L, LEU181L, LEU33L, LEU45H, LEU46L, LEU47L, LEU4H, LEU96L, LYS103L, LYS143H, LYS169L, LYS207L, LYS208H, LYS209H, LYS38H, LYS39L, LYS40H, LYS42L, LYS58H, LYS62H, MET100H, MET135H, MET175L, PHE118L, PHE135L, PHE139L, PHE166H, PHE209L, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO167H, PRO41H, PRO44L, PRO95L, PRO99H, SER116L, SER120H, SER121L, SER122L, SER127L, SER128H, SER131L, SER161H, SER162L, SER168L, SER172H, SER174L, SER176L, SER177L, SER178H, SER179H, SER180H, SER208L, SER31L, SER43L, SER85L, THR102L, THR114L, THR126L, THR137H, THR164L, THR165H, THR172L, THR176H, THR178L, THR180L, THR182H, THR53L, THR57H, THR94L, THR97L, TRP103H, TRP154H, TRP163L, TRP188H, TRP35L, TRP36H, TRP47H, TYR100H, TYR102H, TYR122H, TYR173L, TYR175H, TYR186L, TYR32L, TYR36L, TYR49L, TYR50H, TYR59H, TYR86L, TYR87L, TYR91H, TYR92L, VAL115L, VAL121H, VAL132L, VAL133L, VAL136H, VAL142H, VAL159L, VAL163H, VAL169H, VAL181H, VAL211H, VAL33H, VAL37H, VAL48L, VAL89H, VAL93H
• L-B: ALA114B, ALA201B, GLN124L, GLU123L, GLU187L, GLY144B, HIS199B, LEU125L, LEU174B, LYS115B, LYS183L, PHE146B, PRO118B, PRO119B, SER122L, SER127L, SER202B, SER203B, THR116B, THR117B, THR126L, THR204B
• H-A: ALA114H, ALA201H, GLN124A, GLU123A, GLU187A, GLY128A, GLY144H, HIS199H, LEU125A, LEU174H, LYS115H, LYS183A, PHE146H, PRO118H, PRO119H, SER122A, SER127A, SER202H, SER203H, THR116H, THR117H, THR126A, THR204H
• H-B: ALA198B, ALA198H, ALA201B, ALA201H, ASN196B, ASN196H, ASP207B, ASP207H, CYS195B, CYS195H, HIS199B, HIS199H, ILE210B, ILE210H, LYS205B, LYS205H, LYS208B, LYS208H, LYS209B, LYS209H, PRO118B, PRO118H, PRO119B, PRO119H, PRO123B, PRO123H, PRO200B, PRO200H, PRO212B, SER120B, SER120H, SER156B, SER202B, SER202H, SER203B, SER203H, THR116H, THR117B, THR117H, THR192H, THR194B, THR194H, THR204B, THR204H, TYR122B, TYR122H, VAL121B, VAL121H, VAL193B, VAL193H, VAL197B, VAL197H, VAL206B, VAL206H, VAL211B, VAL211H
• A-B: ALA100A, ALA100B, ALA125B, ALA129B, ALA130A, ALA168B, ALA34A, ALA51A, ALA55A, ARG211A, ARG213B, ARG94B, ARG98B, ASN137A, ASN138A, ASN161A, ASN210A, ASN212A, ASN50A, ASN60B, ASP101B, ASP165A, ASP167A, ASP170A, ASP214B, CYS134A, CYS140B, CYS215B, CYS88A, CYS92B, GLN105B, GLN124A, GLN171B, GLN37A, GLN38A, GLN39B, GLN43B, GLN45A, GLN89A, GLU123A, GLU213A, GLU46B, GLU56A, GLU61B, GLU6B, GLY101A, GLY104B, GLY106B, GLY127B, GLY128A, GLY129A, GLY139B, GLY158A, GLY162B, GLY41A, GLY42B, GLY44B, GLY49B, GLY57A, GLY93A, GLY95B, GLY96B, GLY99A, HIS164B, HIS35B, HIS90A, HIS91A, ILE117A, ILE210B, ILE48B, LEU124B, LEU125A, LEU136A, LEU138B, LEU141B, LEU160A, LEU170B, LEU174B, LEU177B, LEU179A, LEU181A, LEU33A, LEU45B, LEU46A, LEU47A, LEU4B, LEU96A, LYS143B, LYS207A, LYS208B, LYS209B, LYS38B, LYS40B, LYS42A, LYS58B, LYS62B, LYS64B, MET100B, MET135B, MET175A, PHE118A, PHE135A, PHE139A, PHE166B, PHE209A, PHE98A, PRO119A, PRO120A, PRO123B, PRO126B, PRO167B, PRO41B, PRO44A, PRO95A, PRO99B, SER116A, SER120B, SER121A, SER122A, SER127A, SER128B, SER131A, SER162A, SER172B, SER174A, SER176A, SER177A, SER178B, SER179B, SER180B, SER208A, SER31A, SER43A, SER85A, THR114A, THR126A, THR137B, THR164A, THR165B, THR172A, THR176B, THR178A, THR180A, THR182B, THR53A, THR57B, THR94A, THR97A, TRP103B, TRP154B, TRP163A, TRP188B, TRP35A, TRP36B, TRP47B, TYR100B, TYR102B, TYR122B, TYR173A, TYR175B, TYR186A, TYR32A, TYR36A, TYR49A, TYR50B, TYR59B, TYR86A, TYR87A, TYR91B, TYR92A, TYR97B, VAL115A, VAL121B, VAL132A, VAL133A, VAL136B, VAL142B, VAL159A, VAL163B, VAL169B, VAL181B, VAL211B, VAL33B, VAL37B, VAL48A, VAL89B, VAL93B