3AX3

crystal structure of rat tom20-aldh presequence complex: a complex (form2) between tom20 and a disulfide-bridged presequence peptide containing d-cys and l-cys at the i and i+3 positions.

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 42
  • Norm. En. per Res.: -3.1121
• 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	-12.4824	-14.9096	-103.315	-130.707	42	5	8	4738	0	7	0
A-D	0.0	0.0	-0.0006	-0.0006	2	0	0	2	0	1	0
A-E	-24.5712	1.1288	-121.239	-144.6813	52	5	12	4533	0	17	20
A-G	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	1	2
B-G	0.0	-15.9452	-17.897	-33.8422	15	1	0	701	0	4	2
C-D	-4.9178	-7.5023	-112.644	-125.0641	45	4	8	4913	0	7	0
C-E	-6.8687	0.0	-6.0248	-12.8936	17	0	0	304	0	0	0
D-E	0.0	0.0	-72.8027	-72.8027	30	1	3	2924	0	0	2
E-F	-6.5321	-10.7425	-110.633	-127.9076	44	5	8	4810	0	8	1
G-H	-9.9586	-7.5448	-101.832	-119.3354	43	2	8	4644	0	5	0

Interface residues

• A-B: ALA22B, ALA82A, ALA96A, ARG14B, ARG17B, CYS16B, GLN102A, GLN104A, GLN105A, GLN108A, GLN112A, GLN67A, GLN75A, GLU72A, GLU73A, GLU78A, GLU79A, GLY12B, GLY77A, GLY89A, ILE74A, ILE97A, LEU106A, LEU107A, LEU110A, LEU114A, LEU122A, LEU15B, LEU18B, LEU19B, LEU71A, LEU76A, LEU81A, LEU93A, PHE70A, PRO103A, SER100A, SER20B, THR113A, TYR21B, VAL109A, VAL90A
• A-D: ARG17D, LYS68A
• A-E: ALA63A, ALA63E, ALA65A, ALA65E, ALA96A, ALA96E, ALA98A, ALA98E, ASN95A, ASN95E, ASP59E, ASP62A, ASP62E, ASP91A, ASP91E, GLN102A, GLN102E, GLN67A, GLN67E, GLU64A, GLU64E, GLU72A, GLU72E, GLU73A, GLU73E, GLY101A, GLY101E, HIS92A, HIS92E, ILE97A, ILE97E, LEU106A, LEU126E, LEU60E, LYS61A, LYS61E, LYS68A, LYS68E, PHE69A, PHE69E, PHE70A, PHE70E, PRO103A, PRO103E, SER100A, SER100E, THR94A, THR94E, VAL66A, VAL66E, VAL99A, VAL99E
• A-G: GLN67A, PRO117G
• B-G: ARG14B, ARG17B, ASP85G, GLN83G, GLU87G, GLY12B, GLY84G, LEU80G, LYS88G, PRO115G, PRO117G, SER20B, TYR21B, TYR86G, VAL118G
• C-D: ALA22D, ALA82C, ALA96C, ARG14D, ARG17D, CYS16D, GLN102C, GLN104C, GLN105C, GLN108C, GLN111C, GLN112C, GLN67C, GLN75C, GLU72C, GLU73C, GLU78C, GLU79C, GLY12D, GLY77C, ILE74C, ILE97C, LEU106C, LEU107C, LEU110C, LEU114C, LEU122C, LEU15D, LEU18D, LEU19D, LEU71C, LEU76C, LEU80C, LEU81C, LEU93C, LYS68C, PHE70C, PRO103C, PRO115C, SER100C, SER20D, THR113C, TYR21D, VAL109C, VAL118C
• C-E: GLN102C, GLN104E, GLN105C, GLN105E, GLN108C, GLN108E, GLN111E, GLN112C, GLN112E, GLN120E, GLN67C, LEU123E, LEU71C, PHE70C, THR113C, THR124E, VAL109C
• D-E: ALA22D, ARG14D, ARG17D, CYS16D, GLN102E, GLN104E, GLN105E, GLN108E, GLN111E, GLN112E, GLN120E, ILE97E, LEU106E, LEU107E, LEU110E, LEU122E, LEU123E, LEU126E, LEU15D, LEU18D, LEU19D, LYS125E, MET121E, PHE119E, PRO103E, SER20D, THR124E, THR94E, TYR21D, VAL109E
• E-F: ALA22F, ALA82E, ALA96E, ARG14F, ARG17F, CYS16F, GLN102E, GLN104E, GLN105E, GLN108E, GLN111E, GLN112E, GLN67E, GLN75E, GLU72E, GLU73E, GLU78E, GLU79E, GLY12F, GLY77E, GLY89E, ILE74E, ILE97E, LEU106E, LEU107E, LEU110E, LEU114E, LEU122E, LEU15F, LEU18F, LEU19F, LEU71E, LEU76E, LEU80E, LEU81E, LEU93E, PHE69E, PHE70E, PRO103E, SER100E, SER20F, THR113E, TYR21F, VAL109E
• G-H: ALA22H, ALA82G, ALA96G, ARG14H, ARG17H, CYS16H, GLN102G, GLN104G, GLN105G, GLN108G, GLN111G, GLN112G, GLN67G, GLN75G, GLU72G, GLU73G, GLU78G, GLU79G, GLY12H, GLY77G, GLY89G, ILE74G, ILE97G, LEU106G, LEU107G, LEU110G, LEU114G, LEU122G, LEU15H, LEU18H, LEU19H, LEU71G, LEU76G, LEU81G, LEU93G, PHE70G, PRO103G, SER100G, SER20H, THR113G, TYR21H, VAL109G, VAL90G