2GID

crystal structures of trypanosoma bruciei mrp1/mrp2

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: H-J
  • Int. Res.: 96
  • Norm. En. per Res.: -3.8273
• Hub Node: A(3)

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	-13.4348	-50.6657	-151.074	-215.1745	72	17	3	6761	5	22	20
A-D	-3.5959	-43.6758	-242.925	-290.1967	95	10	13	9963	2	35	32
A-G	-6.3135	0.0	-0.4537	-6.7673	14	1	0	116	0	0	7
B-D	0.0	25.3898	-6.9293	18.4605	9	0	0	343	0	6	10
B-G	-26.1993	-52.5472	-257.038	-335.7845	97	13	14	10788	3	34	29
D-G	-22.9039	-23.6871	-162.262	-208.853	71	17	3	7010	4	21	19
H-K	-23.2523	-16.1941	-164.036	-203.4824	76	16	3	7159	3	21	19
H-J	-41.6803	-81.5747	-244.169	-367.424	96	18	12	10575	3	35	29
H-P	0.0	0.0	-0.1293	-0.1293	11	0	0	45	0	0	7
K-J	0.0	29.504	-7.2042	22.2998	11	3	0	412	0	6	10
K-P	-13.4348	-58.7242	-260.97	-333.1291	99	18	14	11140	2	36	30
J-P	-9.7549	-28.4472	-156.727	-194.9291	72	9	3	6922	3	22	21

Interface residues

• A-B: ALA122B, ALA128A, ALA132A, ALA136A, ALA151B, ALA161B, ALA173B, ALA220A, ALA50B, ARG133A, ARG141A, ARG169B, ARG207A, ARG221A, ASN148B, ASN216A, ASP147B, ASP163B, CYS100B, GLN123B, GLN170B, GLN206A, GLN211A, GLU139A, GLU155B, GLU159B, GLU164B, GLU33B, GLY124B, GLY140A, GLY218A, GLY53B, HIS149B, HIS156B, HIS214A, LEU135A, LEU138A, LEU154B, LEU158B, LEU162B, LEU209A, LEU213A, LEU29B, LEU56B, LEU93B, LYS120B, LYS31B, PHE134A, PHE146B, PHE150B, PHE157B, PHE219A, PHE32B, PRO30B, SER121B, SER142A, SER160B, SER165B, SER28B, THR131A, THR153B, THR210A, THR217A, TYR125B, TYR130A, TYR215A, VAL129A, VAL137A, VAL145A, VAL152B, VAL49B, VAL51B
• A-D: ALA162A, ALA173D, ALA200A, ALA212A, ALA220A, ALA66A, ALA69A, ALA74A, ALA94D, ARG103D, ARG169D, ARG207A, ARG221A, ARG65A, ARG68A, ARG87D, ARG89D, ARG92A, ARG96A, ASN216A, ASP163D, ASP198A, ASP52D, ASP76A, ASP92D, ASP97A, CYS100D, GLN170D, GLN206A, GLN211A, GLN64A, GLN70A, GLU102D, GLU139A, GLU159D, GLU164D, GLU201A, GLY167D, GLY218A, GLY53D, GLY98D, HIS107D, HIS171D, HIS214A, HIS79A, HIS90D, HIS95A, LEU138A, LEU162D, LEU203A, LEU205A, LEU209A, LEU213A, LEU29D, LEU55D, LEU61A, LEU71A, LEU93D, LEU94A, LEU96D, LYS101D, LYS54D, PHE166A, PHE166D, PHE168D, PHE208A, PHE219A, PHE75A, PRO105D, PRO163A, PRO72A, PRO73A, SER160D, SER165D, SER202A, SER28D, THR165A, THR210A, THR217A, THR98A, TRP80A, TYR164A, TYR172D, TYR215A, TYR95D, VAL100A, VAL104D, VAL199A, VAL51D, VAL77A, VAL78A, VAL91D, VAL93A, VAL97D, VAL99D
• A-G: ALA220A, ALA220G, ARG207A, ARG207G, ARG221A, ARG65G, GLN211A, GLN211G, HIS214A, HIS214G, PHE219A, PHE219G, TYR215A, TYR215G
• B-D: ARG169B, ARG169D, GLN170D, GLU164B, GLU164D, PHE168B, PHE168D, TYR172B, TYR172D
• B-G: ALA162G, ALA173B, ALA200G, ALA212G, ALA220G, ALA69G, ALA74G, ALA94B, ARG103B, ARG169B, ARG207G, ARG221G, ARG65G, ARG67G, ARG68G, ARG87B, ARG89B, ARG92G, ARG96G, ASN216G, ASP163B, ASP198G, ASP52B, ASP76G, ASP92B, ASP97G, CYS100B, GLN170B, GLN206G, GLN211G, GLN64G, GLN70G, GLU102B, GLU139G, GLU159B, GLU164B, GLU201G, GLY140G, GLY167B, GLY218G, GLY53B, GLY98B, HIS107B, HIS171B, HIS214G, HIS79G, HIS90B, HIS95G, LEU111G, LEU138G, LEU158B, LEU162B, LEU203G, LEU205G, LEU209G, LEU213G, LEU29B, LEU55B, LEU61G, LEU71G, LEU93B, LEU94G, LEU96B, LYS101B, LYS112B, LYS54B, PHE166B, PHE166G, PHE168B, PHE197G, PHE208G, PHE219G, PHE75G, PRO105B, PRO163G, PRO72G, PRO73G, SER160B, SER165B, SER202G, THR112G, THR165G, THR210G, THR98G, TYR164G, TYR172B, TYR215G, TYR95B, VAL100G, VAL104B, VAL199G, VAL77G, VAL78G, VAL91B, VAL93G, VAL97B, VAL99B
• D-G: ALA122D, ALA132G, ALA136G, ALA151D, ALA161D, ALA173D, ALA220G, ALA50D, ARG133G, ARG141G, ARG169D, ARG207G, ARG221G, ASN148D, ASN216G, ASP147D, ASP163D, ASP52D, CYS100D, GLN123D, GLN170D, GLN206G, GLN211G, GLU139G, GLU155D, GLU159D, GLU164D, GLU33D, GLY124D, GLY140G, GLY218G, GLY53D, HIS149D, HIS156D, HIS214G, LEU135G, LEU138G, LEU154D, LEU158D, LEU162D, LEU209G, LEU213G, LEU29D, LEU56D, LEU93D, LYS120D, LYS31D, PHE134G, PHE146D, PHE150D, PHE157D, PHE219G, PHE32D, PRO30D, SER121D, SER142G, SER160D, SER165D, SER28D, THR131G, THR153D, THR210G, THR217G, TYR125D, TYR130G, TYR215G, VAL129G, VAL137G, VAL152D, VAL49D, VAL51D
• H-K: ALA122K, ALA132H, ALA136H, ALA151K, ALA161K, ALA173K, ALA220H, ALA50K, ARG133H, ARG141H, ARG169K, ARG207H, ARG221H, ASN148K, ASN216H, ASP147K, ASP163K, ASP52K, CYS100K, GLN123K, GLN170K, GLN206H, GLN211H, GLU102K, GLU139H, GLU143H, GLU155K, GLU159K, GLU164K, GLU33K, GLY124K, GLY140H, GLY218H, GLY53K, HIS149K, HIS156K, HIS214H, LEU135H, LEU138H, LEU154K, LEU158K, LEU162K, LEU209H, LEU213H, LEU29K, LEU56K, LEU93K, LYS120K, LYS31K, PHE118K, PHE134H, PHE146K, PHE150K, PHE157K, PHE219H, PHE32K, PRO30K, SER121K, SER142H, SER160K, SER165K, SER28K, THR131H, THR153K, THR210H, THR217H, TYR125K, TYR130H, TYR215H, VAL129H, VAL137H, VAL145H, VAL152K, VAL49K, VAL51K, VAL99K
• H-J: ALA173J, ALA200H, ALA212H, ALA220H, ALA62H, ALA66H, ALA69H, ALA74H, ALA94J, ARG103J, ARG169J, ARG207H, ARG221H, ARG65H, ARG68H, ARG87J, ARG89J, ARG92H, ARG96H, ASN216H, ASP163J, ASP198H, ASP52J, ASP76H, ASP92J, ASP97H, CYS100J, GLN170J, GLN206H, GLN211H, GLN64H, GLN70H, GLU102J, GLU139H, GLU159J, GLU164J, GLU201H, GLY167J, GLY218H, GLY53J, GLY98J, HIS107J, HIS171J, HIS214H, HIS79H, HIS90J, HIS95H, LEU138H, LEU162J, LEU203H, LEU205H, LEU209H, LEU213H, LEU29J, LEU55J, LEU57J, LEU61H, LEU71H, LEU93J, LEU94H, LEU96J, LYS101J, LYS54J, PHE166H, PHE166J, PHE168J, PHE197H, PHE208H, PHE75H, PHE99H, PRO105J, PRO163H, PRO72H, PRO73H, SER160J, SER165J, SER202H, SER28J, THR165H, THR210H, THR217H, THR98H, TRP80H, TYR164H, TYR172J, TYR215H, TYR95J, VAL100H, VAL104J, VAL199H, VAL77H, VAL78H, VAL91J, VAL93H, VAL97J, VAL99J
• H-P: ALA220H, ARG207H, ARG207P, ARG221H, ARG65P, GLN211H, GLN211P, HIS214H, HIS214P, TYR215H, TYR215P
• K-J: ALA173J, ALA173K, ARG169J, ARG169K, GLN170J, GLU164J, GLU164K, PHE168J, PHE168K, TYR172J, TYR172K
• K-P: ALA162P, ALA173K, ALA200P, ALA212P, ALA220P, ALA66P, ALA69P, ALA74P, ALA94K, ARG103K, ARG169K, ARG207P, ARG221P, ARG65P, ARG67P, ARG68P, ARG87K, ARG89K, ARG92P, ARG96P, ASN216P, ASP163K, ASP198P, ASP52K, ASP76P, ASP92K, ASP97P, CYS100K, GLN170K, GLN206P, GLN211P, GLN64P, GLN70P, GLU102K, GLU139P, GLU159K, GLU164K, GLU201P, GLY140P, GLY167K, GLY218P, GLY53K, GLY98K, HIS107K, HIS171K, HIS214P, HIS79P, HIS90K, HIS95P, LEU138P, LEU158K, LEU162K, LEU203P, LEU205P, LEU209P, LEU213P, LEU29K, LEU57K, LEU61P, LEU71P, LEU93K, LEU94P, LEU96K, LYS101K, LYS54K, PHE166K, PHE166P, PHE168K, PHE208P, PHE219P, PHE75P, PHE99P, PRO105K, PRO163P, PRO30K, PRO72P, PRO73P, SER160K, SER165K, SER202P, SER28K, THR165P, THR210P, THR217P, THR98P, TYR164P, TYR172K, TYR215P, TYR95K, VAL100P, VAL104K, VAL199P, VAL51K, VAL77P, VAL78P, VAL91K, VAL93P, VAL97K, VAL99K
• J-P: ALA122J, ALA128P, ALA132P, ALA136P, ALA151J, ALA161J, ALA173J, ALA212P, ALA220P, ALA50J, ARG133P, ARG141P, ARG169J, ARG207P, ARG221P, ASN148J, ASN216P, ASP147J, ASP163J, ASP52J, CYS100J, GLN123J, GLN170J, GLN206P, GLN211P, GLU102J, GLU139P, GLU155J, GLU159J, GLU164J, GLY124J, GLY218P, GLY53J, HIS149J, HIS156J, HIS214P, LEU135P, LEU138P, LEU154J, LEU158J, LEU162J, LEU209P, LEU213P, LEU29J, LEU56J, LEU93J, LYS120J, LYS31J, PHE134P, PHE146J, PHE150J, PHE157J, PHE219P, PHE32J, PRO30J, SER121J, SER142P, SER160J, SER165J, SER28J, THR131P, THR153J, THR210P, THR217P, TYR125J, TYR130P, TYR215P, VAL129P, VAL137P, VAL152J, VAL49J, VAL51J