1VKM

crystal structure of an indigoidine synthase a (idga)-like protein (tm1464) from thermotoga maritima msb8 at 1.90 a resolution

• Total interactions analyzed: 15
• Total true interactions: 13
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 106
  • Norm. En. per Res.: -3.7371
• 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	-49.5331	-31.8788	-314.725	-396.137	106	8	4	11636	4	68	64
A-C	-72.3866	14.6615	-292.169	-349.894	102	10	3	10659	2	66	61
A-E	0.0	69.9113	-92.3059	-22.3946	67	10	0	5086	0	23	75
A-F	-13.0462	-42.7812	-35.2653	-91.0926	41	1	0	1754	3	38	40
B-C	-59.7422	5.1744	-288.764	-343.3318	102	9	4	10853	2	65	57
B-D	-7.4757	-33.7544	-41.2395	-82.4696	42	0	0	1890	2	41	40
B-E	0.0	0.0	-0.0009	-0.0009	2	0	0	2	0	4	4
B-F	0.0	48.5837	-121.101	-72.5173	63	5	0	4861	0	23	72
C-D	0.0	65.9666	-126.845	-60.8784	63	7	0	5191	0	24	76
C-E	-15.5467	-57.7718	-45.819	-119.1375	53	3	0	2200	6	43	41
D-E	-59.3035	-0.9597	-282.186	-342.4492	103	12	4	10660	3	66	59
D-F	-74.9087	-14.2716	-305.096	-394.2763	109	12	4	11432	4	69	61
E-F	-50.981	1.6551	-303.61	-352.936	107	13	4	11329	3	68	61

Interface residues

• A-B: ALA154A, ALA88B, ALA99B, ARG105B, ARG106B, ARG124A, ARG124B, ARG138A, ARG184A, ARG185A, ARG188A, ARG81B, ASN172A, ASP126B, ASP130B, ASP151A, ASP76B, GLN129B, GLU133B, GLU153A, GLU157A, GLU160A, GLU163A, GLU190A, GLU193A, GLU194A, GLU200A, GLU204A, GLU206A, GLU208A, GLU240B, GLU243B, GLU82B, GLU89B, GLY119B, GLY123B, GLY168A, GLY183A, GLY241B, GLY56B, GLY79B, GLY90B, HIS-1B, HIS-2B, HIS-3B, HIS-4B, HIS-5B, HIS0B, HIS121B, ILE164A, ILE189A, ILE198A, ILE2B, ILE3B, ILE58B, ILE83B, ILE85B, LEU131B, LEU159A, LEU162A, LEU162B, LEU166A, LEU196A, LEU207A, LEU211A, LEU214A, LYS-7A, LYS-7B, LYS197A, LYS203A, LYS209A, LYS242B, LYS77B, LYS91B, PHE102B, PHE156A, PHE174A, PRO165A, PRO187A, PRO84B, SER128B, SER135A, SER136B, SER137B, SER201A, SER98B, THR132B, THR155A, THR161A, THR210A, THR80B, THR96B, TYR199A, VAL120A, VAL120B, VAL125B, VAL127B, VAL167A, VAL186A, VAL195A, VAL1B, VAL239B, VAL244B, VAL78B, VAL86B, VAL87B
• A-C: ALA154C, ALA88A, ALA99A, ARG105A, ARG106A, ARG124A, ARG124C, ARG138C, ARG184C, ARG185C, ARG188C, ARG81A, ASP126A, ASP130A, ASP151C, ASP76A, GLN129A, GLU133A, GLU153C, GLU157C, GLU160C, GLU163C, GLU190C, GLU193C, GLU194C, GLU200C, GLU204C, GLU206C, GLU208C, GLU240A, GLU82A, GLU89A, GLY119A, GLY123A, GLY183C, GLY241A, GLY56A, GLY79A, GLY90A, HIS-1A, HIS-2A, HIS-3A, HIS-4A, HIS-5A, HIS0A, HIS121A, ILE164C, ILE189C, ILE198C, ILE2A, ILE3A, ILE58A, ILE83A, ILE85A, LEU131A, LEU159C, LEU162A, LEU162C, LEU166C, LEU196C, LEU207C, LEU211C, LEU214C, LYS-7A, LYS-7C, LYS197C, LYS203C, LYS209C, LYS242A, LYS77A, LYS91A, PHE102A, PHE156C, PHE174C, PRO165C, PRO187C, PRO84A, SER128A, SER135A, SER135C, SER136A, SER137A, SER201C, SER98A, THR132A, THR155C, THR161C, THR210C, THR80A, THR96A, TYR199C, VAL120A, VAL120C, VAL125A, VAL127A, VAL167C, VAL186C, VAL195C, VAL1A, VAL244A, VAL86A, VAL87A
• A-E: ALA60A, ALA60E, ARG105A, ARG105E, ARG106A, ARG106E, ARG138A, ARG138E, ARG6A, ARG6E, CB9.984944.80601, GLU208A, GLU208E, GLU240A, GLU4A, GLU4E, GLU8A, GLU8E, GLY108A, GLY108E, GLY10A, GLY10E, GLY241A, HIS-1A, HIS-1E, HIS-2A, HIS-2E, HIS-3A, HIS-3E, HIS-4A, HIS-4E, HIS-5A, HIS-5E, HIS0A, HIS0E, ILE-6A, ILE-6E, ILE107A, ILE107E, ILE2A, ILE2E, ILE3A, ILE3E, ILE58A, ILE58E, ILE7A, ILE7E, LEU103A, LEU103E, LYS-7A, LYS-7A5, LYS-7E, LYS9A, LYS9E, PHE102A, PHE102E, SER104A, SER104E, SER136A, SER136E, SER137A, SER137E, SER5A, SER5E, VAL1A, VAL1E, VAL239A
• A-F: 9125CB5.8340, ARG105A, ARG105F, ARG138A, ARG138F, ARG284A, ARG284F, GLU200A, GLU200F, GLU204A, GLU204F, GLU206A, GLU206F, GLU208A, GLU208F, GLU8F, GLY10A, GLY10F, HIS-5A, HIS-5F, ILE-6A, ILE-6F, LEU196F, LEU207A, LEU282A, LEU282F, LYS-7A, LYS-7A5, LYS-7F, LYS11A, LYS11F, LYS197F, LYS203A, LYS203F, LYS281A, LYS283A, LYS283F, LYS9A, LYS9F, PRO12F, SER201F
• B-C: ALA154B, ALA88C, ALA99C, ARG105C, ARG106C, ARG124B, ARG124C, ARG138B, ARG184B, ARG185B, ARG188B, ARG81C, ASP126C, ASP130C, ASP151B, ASP76C, GLN129C, GLU133C, GLU153B, GLU157B, GLU160B, GLU163B, GLU190B, GLU193B, GLU194B, GLU200B, GLU204B, GLU206B, GLU208B, GLU240C, GLU82C, GLU89C, GLY119C, GLY123C, GLY168B, GLY183B, GLY241C, GLY56C, GLY79C, GLY90C, HIS-1C, HIS-2C, HIS-3C, HIS-4C, HIS-5C, HIS0C, HIS121C, ILE164B, ILE189B, ILE198B, ILE2C, ILE58C, ILE83C, ILE85C, LEU131C, LEU159B, LEU162B, LEU162C, LEU166B, LEU196B, LEU207B, LEU211B, LEU214B, LYS-7B, LYS-7C, LYS197B, LYS203B, LYS209B, LYS242C, LYS77C, LYS91C, PHE102C, PHE156B, PHE174B, PRO165B, PRO187B, PRO84C, SER128C, SER135B, SER135C, SER136C, SER137C, SER201B, SER98C, THR132C, THR155B, THR161B, THR210B, THR80C, THR96C, TYR199B, VAL120B, VAL120C, VAL125C, VAL127C, VAL167B, VAL186B, VAL195B, VAL1C, VAL244C, VAL86C, VAL87C
• B-D: ARG105B, ARG105D, ARG138B, ARG138D, ARG284B, ARG284D, GLU200B, GLU200D, GLU204B, GLU204D, GLU206B, GLU206D, GLU208B, GLU208D, GLU8D, GLY10B, GLY10D, HIS-5B, HIS-5D, ILE-6B, ILE-6D, LEU196B, LEU196D, LEU207D, LEU282B, LEU282D, LYS-7B, LYS-7D, LYS11B, LYS11D, LYS197B, LYS203B, LYS203D, LYS281B, LYS281D, LYS283B, LYS283D, LYS9B, LYS9D, PRO12B, PRO12D, SER201B
• B-E: LYS-7B, LYS-7E
• B-F: ALA60B, ALA60F, ARG105B, ARG105F, ARG106B, ARG106F, ARG138B, ARG138F, ARG6B, ARG6F, GLU208B, GLU208F, GLU4B, GLU4F, GLU8B, GLU8F, GLY108B, GLY108F, GLY10B, GLY10F, HIS-1B, HIS-1F, HIS-2B, HIS-2F, HIS-3B, HIS-3F, HIS-4B, HIS-4F, HIS-5B, HIS-5F, HIS0B, HIS0F, ILE-6B, ILE-6F, ILE107B, ILE107F, ILE109B, ILE2B, ILE2F, ILE3B, ILE3F, ILE58B, ILE58F, ILE7B, ILE7F, LEU103B, LEU103F, LYS-7B, LYS-7F, LYS9B, LYS9F, PHE102B, PHE102F, SER104B, SER104F, SER136B, SER136F, SER137B, SER137F, SER5B, SER5F, VAL1B, VAL1F
• C-D: ALA60C, ALA60D, ARG105C, ARG105D, ARG106C, ARG106D, ARG138C, ARG138D, ARG6C, ARG6D, GLU208C, GLU208D, GLU4C, GLU4D, GLU8C, GLU8D, GLY108C, GLY108D, GLY10C, GLY10D, HIS-1C, HIS-1D, HIS-2C, HIS-2D, HIS-3C, HIS-3D, HIS-4C, HIS-4D, HIS-5C, HIS-5D, HIS0C, HIS0D, ILE-6C, ILE-6D, ILE107C, ILE107D, ILE109D, ILE2C, ILE2D, ILE3C, ILE3D, ILE58C, ILE58D, ILE7C, ILE7D, LEU103C, LEU103D, LYS-7C, LYS-7D, LYS9C, LYS9D, PHE102C, PHE102D, SER104C, SER104D, SER136C, SER136D, SER137C, SER137D, SER5C, SER5D, VAL1C, VAL1D
• C-E: ARG105C, ARG105E, ARG138C, ARG138E, ARG184C, ARG185C, ARG284C, ARG284E, GLU110C, GLU110E, GLU153C, GLU157C, GLU200C, GLU200E, GLU204C, GLU204E, GLU206C, GLU206E, GLU208C, GLU208E, GLU8C, GLU8E, GLY10C, GLY10E, GLY183C, HIS-5C, HIS-5E, ILE-6C, ILE-6E, LEU196C, LEU207C, LEU207E, LEU282C, LEU282E, LYS-7C, LYS-7E, LYS11C, LYS11E, LYS203C, LYS203E, LYS281C, LYS281E, LYS283C, LYS283E, LYS9C, LYS9E, PHE156C, PRO12C, PRO12E, SER182C, TYR199C, TYR199E, VAL1E
• D-E: ALA154E, ALA88D, ALA99D, ARG105D, ARG106D, ARG124D, ARG124E, ARG138E, ARG184E, ARG185E, ARG188E, ARG81D, ASP126D, ASP130D, ASP151E, ASP76D, GLN129D, GLU133D, GLU153E, GLU157E, GLU160E, GLU163E, GLU190E, GLU193E, GLU194E, GLU200E, GLU204E, GLU206E, GLU208E, GLU240D, GLU82D, GLU89D, GLY119D, GLY123D, GLY168E, GLY183E, GLY241D, GLY56D, GLY79D, GLY90D, HIS-1D, HIS-2D, HIS-3D, HIS-4D, HIS-5D, HIS0D, HIS121D, ILE164E, ILE189E, ILE198E, ILE2D, ILE3D, ILE58D, ILE83D, ILE85D, LEU131D, LEU159E, LEU162D, LEU162E, LEU166E, LEU196E, LEU207E, LEU211E, LEU214E, LYS-7D, LYS-7E, LYS197E, LYS203E, LYS209E, LYS242D, LYS77D, LYS91D, PHE102D, PHE156E, PHE174E, PRO165E, PRO187E, PRO84D, SER128D, SER135D, SER135E, SER136D, SER137D, SER201E, SER98D, THR132D, THR155E, THR161E, THR210E, THR80D, THR96D, TYR199E, VAL120D, VAL120E, VAL125D, VAL127D, VAL167E, VAL186E, VAL195E, VAL1D, VAL244D, VAL86D, VAL87D
• D-F: ALA154D, ALA88F, ALA99F, ARG105F, ARG106F, ARG124D, ARG124F, ARG138D, ARG184D, ARG185D, ARG188D, ARG81F, ASN172D, ASP126F, ASP130F, ASP151D, ASP76F, GLN129F, GLU133F, GLU153D, GLU157D, GLU160D, GLU163D, GLU190D, GLU193D, GLU194D, GLU200D, GLU204D, GLU206D, GLU208D, GLU240F, GLU243F, GLU82F, GLU89F, GLY119F, GLY123F, GLY168D, GLY183D, GLY241F, GLY56F, GLY79F, GLY90F, HIS-1F, HIS-2F, HIS-3F, HIS-4F, HIS-5F, HIS0F, HIS121F, ILE164D, ILE189D, ILE198D, ILE2F, ILE3F, ILE58F, ILE83F, ILE85F, LEU103F, LEU131F, LEU159D, LEU162D, LEU162F, LEU166D, LEU196D, LEU207D, LEU211D, LEU214D, LYS-7D, LYS-7F, LYS197D, LYS203D, LYS209D, LYS242F, LYS55F, LYS77F, LYS91F, PHE102F, PHE156D, PHE174D, PRO122F, PRO165D, PRO187D, PRO84F, SER128F, SER135D, SER135F, SER136F, SER137F, SER201D, SER98F, THR132F, THR155D, THR161D, THR210D, THR80F, THR96F, TYR199D, VAL120D, VAL120F, VAL125F, VAL127F, VAL152D, VAL167D, VAL186D, VAL195D, VAL1F, VAL244F, VAL86F, VAL87F
• E-F: ALA154F, ALA88E, ALA99E, ARG105E, ARG106E, ARG124E, ARG124F, ARG138F, ARG184F, ARG185F, ARG188F, ARG81E, ASP126E, ASP130E, ASP151F, ASP76E, GLN129E, GLU133E, GLU153F, GLU157F, GLU160F, GLU163F, GLU190F, GLU193F, GLU194F, GLU200F, GLU204F, GLU206F, GLU208F, GLU240E, GLU82E, GLU89E, GLY119E, GLY123E, GLY168F, GLY183F, GLY241E, GLY56E, GLY79E, GLY90E, HIS-1E, HIS-2E, HIS-3E, HIS-4E, HIS-5E, HIS0E, HIS121E, ILE-6F, ILE164F, ILE189F, ILE198F, ILE2E, ILE3E, ILE58E, ILE83E, ILE85E, LEU103E, LEU131E, LEU159F, LEU162E, LEU162F, LEU166F, LEU196F, LEU207F, LEU211F, LEU214F, LYS-7E, LYS-7F, LYS197F, LYS203F, LYS209F, LYS242E, LYS77E, LYS91E, PHE102E, PHE156F, PHE174F, PRO165F, PRO187F, PRO84E, SER128E, SER135E, SER135F, SER136E, SER136F, SER137E, SER201F, SER98E, THR132E, THR155F, THR161F, THR210F, THR80E, THR96E, TYR199F, VAL120E, VAL120F, VAL125E, VAL127E, VAL152F, VAL167F, VAL186F, VAL195F, VAL1E, VAL244E, VAL86E, VAL87E