3TT3

crystal structure of leut in the inward-open conformation in complex with fab

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: L-H
  • Int. Res.: 186
  • Norm. En. per Res.: -2.7653
• Hub Node: A(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
A-L	0.0	-3.7821	-34.6507	-38.4328	43	0	0	1735	0	15	10
A-H	-21.0639	-23.6113	-143.165	-187.8402	85	21	2	7041	1	12	21
L-H	-35.7528	-33.5106	-445.075	-514.3383	186	17	10	17440	2	16	11

Interface residues

• A-L: ALA432A, ALA64L, ALA71A, ARG270A, ARG438A, ARG507A, ARG508A, ARG54L, ARG67A, ARG86A, ASN34L, ASN437A, ASN57L, ASP272A, ASP33L, ASP430A, ASP98L, GLN72A, GLU434A, GLU435A, GLU511A, GLU59L, GLY61L, HIS38L, HIS74A, ILE436A, ILE62L, LEU58L, LEU83A, LYS271A, LYS372A, LYS431A, PHE36L, PHE427A, PRO63L, SER60L, SER95L, THR31L, TRP433A, TYR32L, TYR53L, TYR68A, TYR82A
• A-H: ALA104H, ALA24H, ALA266A, ALA268A, ALA365A, ALA378A, ALA71A, ARG185A, ARG270A, ARG375A, ARG67A, ARG74H, ARG98H, ASN100H, ASN31H, ASN55H, ASP272A, ASP369A, ASP56H, ASP73H, GLN1H, GLN273A, GLN361A, GLN72A, GLU192A, GLU368A, GLY102H, GLY186A, GLY190A, GLY26H, GLY66A, GLY69A, GLY70A, GLY73A, GLY75A, GLY99H, HIS32H, HIS33H, HIS377A, HIS74A, ILE184A, ILE187A, ILE191A, ILE263A, ILE364A, ILE52H, ILE80A, LEU183A, LEU367A, LEU371A, LEU373A, LYS189A, LYS23H, LYS271A, LYS372A, LYS376A, PHE25H, PHE29H, PHE366A, PRO362A, PRO53H, SER188A, SER267A, SER374A, SER75H, SER76H, SER77H, THR264A, THR28H, THR30H, THR59H, THR76A, TRP105H, TRP63A, TYR101H, TYR108H, TYR265A, TYR27H, TYR50H, TYR54H, TYR57H, TYR68A, VAL269A, VAL2H, VAL379A
• L-H: ALA104H, ALA107H, ALA131H, ALA134L, ALA136H, ALA174H, ALA55L, ALA97H, ARG215L, ARG219H, ARG40H, ARG54L, ARG62H, ASN100H, ASN139H, ASN141L, ASN142L, ASN165L, ASN214L, ASN216L, ASN35H, ASN57L, ASN60H, ASN61H, ASP169L, ASP171L, ASP174L, ASP1L, ASP46H, ASP98L, CYS138L, CYS146H, CYS92L, CYS96H, GLN111H, GLN128L, GLN137H, GLN170L, GLN177H, GLN39H, GLN41L, GLN42L, GLN43H, GLN46L, GLN6H, GLN93L, GLN94L, GLU127L, GLU59L, GLY102H, GLY103L, GLY105L, GLY110H, GLY112H, GLY132L, GLY133H, GLY133L, GLY145H, GLY150H, GLY162L, GLY168H, GLY42H, GLY44H, GLY45L, GLY49H, GLY99H, HIS170H, HIS38L, ILE121L, ILE216H, ILE37L, ILE48H, ILE52L, LEU100L, LEU129L, LEU130H, LEU140L, LEU144H, LEU147H, LEU164L, LEU176H, LEU180H, LEU183H, LEU183L, LEU185L, LEU45H, LEU4H, LEU50L, LEU51L, LYS107L, LYS146L, LYS149H, LYS173L, LYS211L, LYS214H, LYS38H, LYS43L, LYS49L, LYS63H, MET141H, MET179L, MET37H, PHE102L, PHE106H, PHE122L, PHE139L, PHE143L, PHE172H, PHE213L, PHE36L, PRO123L, PRO124L, PRO129H, PRO132H, PRO173H, PRO41H, PRO44L, PRO47L, PRO48L, PRO99L, SER104L, SER120L, SER125L, SER126H, SER126L, SER131L, SER134H, SER135L, SER166H, SER166L, SER167H, SER172L, SER178L, SER180L, SER181L, SER184H, SER185H, SER186H, SER212L, SER35L, SER60L, SER95L, THR101L, THR118L, THR130L, THR143H, THR168L, THR171H, THR176L, THR182H, THR182L, THR184L, THR188H, THR59H, THR89L, TRP105H, TRP109H, TRP160H, TRP167L, TRP194H, TRP36H, TRP39L, TRP47H, TYR108H, TYR128H, TYR177L, TYR181H, TYR190L, TYR40L, TYR50H, TYR53L, TYR91L, TYR95H, VAL119L, VAL127H, VAL136L, VAL137L, VAL142H, VAL148H, VAL163L, VAL169H, VAL175H, VAL187H, VAL212H, VAL217H, VAL93H