2V1S

crystal structure of rat tom20-aldh presequence complex

• Total interactions analyzed: 91
• Total true interactions: 30
• Strongest Interaction:
  • Chains: G-N
  • Int. Res.: 20
  • Norm. En. per Res.: -4.0064
• Hub Node: B(6)

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-C	0.0	0.0	-0.0045	-0.0045	6	0	0	6	0	0	0
A-D	0.0	0.0	-0.4122	-0.4122	17	0	0	117	0	1	2
A-H	0.0	-14.339	-98.4051	-112.7441	37	3	1	3783	1	8	4
A-K	-11.2189	-10.9994	-59.2895	-81.5078	32	1	4	3299	0	6	0
B-C	0.0	5.756	-54.6735	-48.9175	25	5	2	1977	0	8	8
B-D	0.0	0.0	-7.5557	-7.5557	11	0	0	256	0	0	0
B-E	0.0	0.0	-79.6876	-79.6876	30	1	0	2737	0	0	0
B-F	0.0	0.0	-0.0365	-0.0365	3	0	0	17	0	0	0
B-I	-7.0944	-27.0529	-99.9816	-134.1289	36	5	2	3745	0	8	4
B-J	0.0	0.0	-9.0343	-9.0343	14	0	0	375	0	1	0
C-D	-24.3007	0.0	-134.149	-158.4497	59	4	12	5167	0	14	19
C-E	0.0	0.0	-0.5088	-0.5088	18	0	0	141	0	1	2
C-J	-2.298	-20.3499	-101.288	-123.936	37	3	2	3710	0	9	4
C-K	0.0	0.0	-8.6265	-8.6265	9	0	0	276	0	1	0
C-L	-8.557	-9.191	-71.5556	-89.3036	37	3	7	3723	0	6	1
D-E	0.0	0.0	-0.0026	-0.0026	2	0	0	3	0	0	0
D-H	-4.9403	-17.1194	-63.0733	-85.133	38	3	5	3363	0	4	0
D-J	0.0	0.0	-7.4712	-7.4712	12	0	0	246	0	1	0
D-K	0.0	-8.2023	-91.1458	-99.3481	35	3	2	3732	0	7	4
E-F	-16.1902	0.0	-105.795	-121.9852	47	6	2	4591	0	0	0
E-J	-15.005	-8.6483	-57.8311	-81.4843	34	3	4	3201	0	4	0
E-L	-6.9596	-1.3402	-97.3891	-105.6889	38	4	1	3869	0	6	4
F-G	0.0	0.0	-0.0136	-0.0136	7	0	0	12	0	0	0
F-M	0.0	0.0	-67.0279	-67.0279	31	2	3	2674	0	0	0
F-N	0.0	-22.555	-39.2613	-61.8163	35	4	5	2862	1	6	1
G-M	0.0	0.0	-1.0613	-1.0613	7	0	0	209	0	0	0
G-N	0.0	-6.4649	-73.6635	-80.1284	20	1	2	2733	0	5	2
H-K	0.0	0.0	-33.9702	-33.9702	20	0	0	1334	0	0	3
J-L	0.0	0.0	-37.6127	-37.6127	18	0	0	1442	0	0	2
M-N	0.0	0.0	-39.8777	-39.8777	14	2	0	1183	0	0	0

Interface residues

• A-C: ASP59C, GLN105A, GLN108A, GLN112A, SER58C, VAL109A
• A-D: GLN102D, GLN105A, GLN112A, GLN112D, GLN67A, GLN67D, GLN75A, GLN75D, GLU64A, GLU64D, LEU60D, LEU71A, LEU71D, THR113A, THR113D, VAL109A, VAL109D
• A-H: ALA22H, ALA63A, ALA65A, ALA96A, ALA98A, ARG14H, ARG17H, ASP62A, CYS100A, GLN102A, GLN104A, GLN105A, GLN67A, GLN75A, GLU64A, GLU72A, GLY101A, GLY23H, ILE74A, ILE97A, LEU106A, LEU15H, LEU18H, LEU19H, LEU71A, LYS61A, LYS68A, PHE69A, PHE70A, PRO103A, PRO13H, SER16H, SER20H, TYR21H, VAL109A, VAL66A, VAL99A
• A-K: ALA22K, ALA96A, ARG14K, ARG17K, CYS100A, GLN105A, GLN108A, GLN111A, GLN112A, GLN75A, GLU73A, GLU78A, GLU79A, GLY23K, GLY77A, ILE74A, LEU106A, LEU107A, LEU110A, LEU114A, LEU15K, LEU18K, LEU19K, LEU71A, LEU76A, LEU81A, LEU93A, PHE70A, SER16K, SER20K, THR113A, VAL109A
• B-C: ALA63C, ALA65C, ASP59C, ASP62C, ASP85B, GLN120B, GLN67C, GLN83B, GLU64C, GLU87B, GLY84B, GLY89B, LEU60C, LEU81B, LYS61C, LYS88B, MET121B, PHE119B, PRO115B, PRO116B, PRO117B, SER58C, TYR86B, VAL118B, VAL90B
• B-D: ASP85B, GLN102D, GLN104D, GLN105D, GLU87B, GLY101D, GLY84B, LYS88B, MET121B, PRO103D, TYR86B
• B-E: ALA82B, ALA82E, GLN108B, GLN108E, GLN111B, GLN111E, GLN112B, GLN112E, GLN120B, GLN120E, LEU110B, LEU110E, LEU114B, LEU114E, PHE119B, PHE119E, PRO115B, PRO115E, PRO116B, PRO116E, PRO117B, PRO117E, THR113B, THR113E, TYR86B, TYR86E, VAL109B, VAL109E, VAL118B, VAL118E
• B-F: GLN108F, GLN111B, GLN112B
• B-I: ALA22I, ALA63B, ALA65B, ALA96B, ALA98B, ARG14I, ARG17I, ASP62B, CYS100B, GLN102B, GLN104B, GLN105B, GLN67B, GLN75B, GLU64B, GLU72B, GLU73B, GLY101B, GLY23I, ILE74B, ILE97B, LEU106B, LEU15I, LEU18I, LEU19I, LEU71B, LYS68B, PHE69B, PHE70B, PRO103B, SER16I, SER20I, TYR21I, VAL109B, VAL66B, VAL99B
• B-J: ALA82B, ARG14J, ASP85B, GLN83B, GLU79B, GLY12J, GLY84B, LEU18J, LEU80B, LEU81B, PRO115B, PRO117B, TYR86B, VAL118B
• C-D: ALA63C, ALA63D, ALA65C, ALA65D, ALA96C, ALA96D, ALA98C, ALA98D, ASN95C, ASN95D, ASP59C, ASP59D, ASP62C, ASP62D, ASP91C, ASP91D, CYS100C, CYS100D, GLN102C, GLN102D, GLN104C, GLN105C, GLN67C, GLN67D, GLU64C, GLU64D, GLU72C, GLU72D, GLU73C, GLU73D, GLY101C, GLY101D, GLY57D, HIS92C, HIS92D, ILE97C, ILE97D, LEU126C, LEU60C, LEU60D, LYS125C, LYS61C, LYS61D, LYS68C, LYS68D, PHE69C, PHE69D, PHE70C, PHE70D, PRO103C, PRO103D, SER58C, SER58D, THR94C, THR94D, VAL66C, VAL66D, VAL99C, VAL99D
• C-E: GLN105C, GLN105E, GLN112C, GLN112E, GLN67C, GLN67E, GLN75C, GLN75E, GLU64C, GLU64E, LEU60C, LEU60E, LEU71C, LEU71E, THR113C, THR113E, VAL109C, VAL109E
• C-J: ALA22J, ALA63C, ALA65C, ALA96C, ALA98C, ARG14J, ARG17J, ASN95C, CYS100C, GLN102C, GLN104C, GLN105C, GLN67C, GLN75C, GLU64C, GLU72C, GLY101C, GLY23J, ILE74C, ILE97C, LEU106C, LEU15J, LEU18J, LEU19J, LEU60C, LEU71C, LYS68C, PHE69C, PHE70C, PRO103C, PRO13J, SER16J, SER20J, TYR21J, VAL109C, VAL66C, VAL99C
• C-K: ALA22K, ALA63C, ALA65C, ASP59C, ASP62C, LYS61C, SER58C, TYR21K, VAL66C
• C-L: ALA22L, ALA82C, ALA96C, ARG14L, ARG17L, GLN105C, GLN108C, GLN111C, GLN112C, GLN75C, GLU73C, GLU78C, GLU79C, GLY12L, GLY23L, GLY77C, ILE74C, LEU106C, LEU107C, LEU110C, LEU114C, LEU122C, LEU15L, LEU18L, LEU19L, LEU71C, LEU76C, LEU81C, LEU93C, PHE70C, PRO115C, PRO13L, SER16L, SER20L, THR113C, TYR21L, VAL109C
• D-E: GLN105E, GLY57D
• D-H: ALA22H, ALA82D, ALA96D, ARG14H, ARG17H, CYS100D, GLN105D, GLN108D, GLN111D, GLN112D, GLN75D, GLU72D, GLU73D, GLU78D, GLU79D, GLY23H, GLY77D, ILE74D, ILE97D, LEU106D, LEU107D, LEU110D, LEU114D, LEU15H, LEU18H, LEU19H, LEU71D, LEU76D, LEU81D, LEU93D, PHE70D, PRO103D, PRO13H, SER16H, SER20H, THR113D, TYR21H, VAL109D
• D-J: ALA22J, ALA63D, ALA65D, ASP59D, ASP62D, GLY23J, GLY57D, LYS61D, SER58D, TYR21J, VAL66D, VAL99D
• D-K: ALA22K, ALA63D, ALA65D, ALA96D, ALA98D, ARG14K, ARG17K, CYS100D, GLN102D, GLN105D, GLN67D, GLN75D, GLU64D, GLU72D, GLY101D, GLY23K, ILE74D, ILE97D, LEU106D, LEU15K, LEU18K, LEU19K, LEU60D, LEU71D, LYS61D, LYS68D, PHE69D, PHE70D, PRO103D, SER16K, SER20K, TYR21K, VAL109D, VAL66D, VAL99D
• E-F: CYS100E, GLN102E, GLN102F, GLN104E, GLN104F, GLN105E, GLN105F, GLN108E, GLN108F, GLN111E, GLN111F, GLN112E, GLN112F, GLN120E, GLN120F, GLY101E, ILE97E, LEU106E, LEU106F, LEU107E, LEU107F, LEU110E, LEU110F, LEU114F, LEU122E, LEU122F, LEU123E, LEU123F, LEU126E, LEU126F, LYS125E, MET121E, MET121F, PHE119E, PHE119F, PRO103E, PRO103F, PRO115F, PRO116E, PRO116F, PRO117E, PRO117F, THR124E, THR124F, VAL109E, VAL109F, VAL118F
• E-J: ALA22J, ALA82E, ALA96E, ARG14J, ARG17J, CYS100E, GLN105E, GLN108E, GLN111E, GLN112E, GLN75E, GLU73E, GLU78E, GLU79E, GLY12J, GLY23J, GLY77E, ILE74E, LEU106E, LEU110E, LEU114E, LEU15J, LEU18J, LEU19J, LEU71E, LEU76E, LEU81E, LEU93E, PHE70E, PRO13J, SER16J, SER20J, THR113E, VAL109E
• E-L: ALA22L, ALA63E, ALA65E, ALA96E, ALA98E, ARG14L, ARG17L, ASN95E, CYS100E, GLN102E, GLN105E, GLN67E, GLN75E, GLU64E, GLU72E, GLY101E, GLY12L, GLY23L, ILE74E, ILE97E, LEU106E, LEU15L, LEU18L, LEU19L, LEU60E, LEU71E, LYS61E, LYS68E, PHE69E, PHE70E, PRO103E, PRO13L, SER16L, SER20L, TYR21L, VAL109E, VAL66E, VAL99E
• F-G: GLN105F, GLN112F, GLN67G, GLN75F, GLU64G, LEU71F, LEU71G
• F-M: ALA22M, ALA63F, ALA96F, ALA98F, ASN95F, CYS100F, GLN102F, GLN104F, GLN105F, GLN67F, GLN75F, GLU64F, GLU72F, GLY101F, GLY23M, ILE74F, ILE97F, LEU106F, LEU107F, LEU18M, LEU19M, LEU71F, LYS68F, PHE69F, PHE70F, PRO103F, SER20M, TYR21M, VAL109F, VAL66F, VAL99F
• F-N: ALA22N, ALA82F, ALA96F, ARG14N, ARG17N, CYS100F, GLN105F, GLN108F, GLN112F, GLN75F, GLN83F, GLU73F, GLU78F, GLU79F, GLY77F, ILE74F, ILE97F, LEU106F, LEU107F, LEU110F, LEU114F, LEU15N, LEU18N, LEU19N, LEU71F, LEU80F, LEU81F, LEU93F, PHE70F, PRO103F, SER16N, SER20N, THR113F, TYR21N, VAL109F
• G-M: GLN75G, ILE74G, LEU18M, LEU19M, LEU71G, PHE70G, SER20M
• G-N: ALA22N, ALA63G, ALA65G, ARG14N, ARG17N, GLN67G, GLU64G, GLU72G, ILE74G, LEU15N, LEU18N, LEU19N, LEU71G, LYS68G, PHE69G, PHE70G, SER16N, SER20N, TYR21N, VAL66G
• H-K: ALA22H, ALA22K, ARG14H, ARG14K, ARG17H, ARG17K, GLY23H, GLY23K, LEU15H, LEU15K, LEU18H, LEU18K, LEU19H, LEU19K, SER16H, SER16K, SER20H, SER20K, TYR21H, TYR21K
• J-L: ALA22J, ALA22L, ARG17J, ARG17L, GLY23J, GLY23L, LEU15J, LEU15L, LEU18J, LEU18L, LEU19J, LEU19L, SER16J, SER16L, SER20J, SER20L, TYR21J, TYR21L
• M-N: ALA22M, ALA22N, ARG17N, GLY23M, LEU15N, LEU18M, LEU18N, LEU19M, LEU19N, SER16N, SER20M, SER20N, TYR21M, TYR21N