3LME

structure of probable translation initiation inhibitor from (rpa2473) from rhodopseudomonas palustris

• Total interactions analyzed: 66
• Total true interactions: 20
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 101
  • Norm. En. per Res.: -4.1117
• 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	-54.6084	-47.6797	-312.992	-415.2801	101	10	11	11950	2	14	8
A-C	-24.255	-48.7493	-298.417	-371.4214	99	14	11	11660	3	14	8
A-D	0.0	-4.2284	-0.7162	-4.9447	4	0	0	54	0	2	1
A-K	0.0	0.0	-0.1428	-0.1428	9	0	0	77	0	3	2
B-C	-37.1491	-31.376	-292.015	-360.5401	101	11	11	11793	0	14	9
B-K	0.0	0.0	-0.5136	-0.5136	10	0	0	89	0	3	3
C-I	0.0	16.9479	-22.9877	-6.0397	28	0	1	1310	2	35	29
D-E	-61.5722	-34.6369	-305.683	-401.8921	102	19	12	12171	2	16	9
D-F	-2.8169	-38.6171	-307.504	-348.938	100	6	11	11630	2	14	8
D-G	0.0	-4.6765	-28.9252	-33.6017	26	0	0	1831	0	12	11
E-F	-35.3965	-41.7096	-281.588	-358.6941	101	10	11	11414	2	14	8
E-G	-4.6665	-2.2459	-32.268	-39.1804	37	0	0	2005	0	8	7
F-J	0.0	11.5001	-50.7896	-39.2895	36	0	0	2361	2	34	31
F-K	0.0	0.0	-0.0048	-0.0048	2	0	0	5	0	0	0
G-H	-52.9283	-45.6554	-294.023	-392.6067	104	16	11	11902	1	15	8
G-I	-17.5148	-25.7425	-298.141	-341.3983	101	11	11	11751	0	14	8
H-I	-36.7281	-33.9822	-296.581	-367.2913	100	8	11	11690	1	14	9
J-K	-8.8314	-38.2568	-300.319	-347.4072	103	7	11	11670	2	14	8
J-L	-24.7017	-37.9239	-293.834	-356.4596	102	8	11	11473	1	14	8
K-L	-30.3128	-38.2045	-304.155	-372.6723	107	10	12	12017	2	16	8

Interface residues

• A-B: ALA110A, ALA139A, ALA139B, ALA154A, ALA49B, ALA51B, ALA97A, ALA99A, ARG101A, ARG101B, ARG113A, ARG132A, ARG50B, ASN117A, ASP108A, ASP122A, ASP126A, ASP141B, ASP144B, ASP149B, ASP53A, ASP53B, ASP98A, GLN120A, GLN136A, GLN136B, GLN142B, GLU147B, GLY125A, GLY127A, GLY143B, GLY150B, GLY43B, GLY48B, GLY52B, GLY58B, GLY59B, HIS61B, ILE123A, ILE148B, ILE31B, ILE32B, ILE47B, ILE57B, LEU102A, LEU102B, LEU135A, LEU135B, LEU140B, LEU29B, LYS118A, LYS121A, LYS30B, LYS96A, MET60B, MET85B, PHE105A, PHE105B, PHE152A, PHE152B, PHE54A, PHE54B, PHE56A, PHE56B, PRO114A, PRO128A, PRO130A, PRO131A, PRO138A, PRO138B, PRO155A, PRO41B, SER28B, SER42B, SER46B, THR103A, THR103B, THR107A, THR133A, THR151A, THR151B, THR44B, THR95A, TRP124A, TRP45B, TYR129A, TYR153A, TYR153B, VAL100A, VAL100B, VAL104B, VAL106A, VAL106B, VAL109A, VAL116A, VAL119A, VAL134A, VAL137A, VAL137B, VAL55A, VAL55B
• A-C: ALA110C, ALA139A, ALA139C, ALA154C, ALA49A, ALA51A, ALA97C, ALA99C, ARG101A, ARG101C, ARG113C, ARG132C, ARG50A, ASN117C, ASP108C, ASP122C, ASP126C, ASP141A, ASP144A, ASP149A, ASP53A, ASP53C, ASP98C, GLN120C, GLN136A, GLN136C, GLN142A, GLU147A, GLY125C, GLY127C, GLY143A, GLY150A, GLY43A, GLY48A, GLY52A, GLY58A, GLY59A, HIS61A, ILE123C, ILE148A, ILE31A, ILE32A, ILE47A, ILE57A, LEU102A, LEU102C, LEU135A, LEU135C, LEU140A, LEU29A, LYS118C, LYS121C, LYS30A, LYS96C, MET60A, MET85A, PHE105A, PHE105C, PHE152A, PHE152C, PHE54A, PHE54C, PHE56A, PHE56C, PRO128C, PRO130C, PRO131C, PRO138A, PRO138C, PRO41A, SER28A, SER42A, SER46A, THR103A, THR103C, THR107C, THR133C, THR151A, THR151C, THR44A, THR95C, TRP124C, TRP45A, TYR129C, TYR153A, TYR153C, VAL100C, VAL104A, VAL104C, VAL106A, VAL106C, VAL109C, VAL116C, VAL119C, VAL134C, VAL137A, VAL137C, VAL55A, VAL55C
• A-D: ASP72A, ASP72D, LYS69A, LYS69D
• A-K: ARG113A, ARG65K, ASN117A, ASP36K, LYS118A, LYS121A, PRO114A, THR67K, VAL66K
• B-C: ALA110B, ALA139B, ALA139C, ALA154B, ALA49C, ALA51C, ALA97B, ALA99B, ARG101B, ARG101C, ARG113B, ARG132B, ARG50C, ASN117B, ASP108B, ASP122B, ASP126B, ASP141C, ASP144C, ASP149C, ASP53B, ASP53C, ASP98B, GLN120B, GLN136B, GLN136C, GLN142C, GLU147C, GLY125B, GLY127B, GLY143C, GLY150C, GLY43C, GLY48C, GLY52C, GLY58C, GLY59C, HIS61C, ILE123B, ILE148C, ILE31C, ILE32C, ILE47C, ILE57C, LEU102B, LEU102C, LEU135B, LEU135C, LEU140C, LEU29C, LYS118B, LYS121B, LYS30C, LYS96B, MET60C, MET85C, PHE105B, PHE105C, PHE152B, PHE152C, PHE54B, PHE54C, PHE56B, PHE56C, PRO114B, PRO128B, PRO130B, PRO131B, PRO138B, PRO138C, PRO155B, PRO41C, SER28C, SER42C, SER46C, THR103B, THR103C, THR107B, THR107C, THR133B, THR151B, THR151C, THR44C, THR95B, TRP124B, TRP45C, TYR129B, TYR153B, TYR153C, VAL100B, VAL104B, VAL104C, VAL106B, VAL106C, VAL109B, VAL116B, VAL119B, VAL134B, VAL137B, VAL137C, VAL55C
• B-K: ALA33K, ASP36K, GLN142B, GLY68B, LYS30K, LYS37K, LYS69B, PRO34K, SER42B, THR35K
• C-I: ALA76C, ALA76I, ARG77C, ARG77I, ARG79C, ARG79I, ARG80I, ASP122C, ASP122I, ASP72C, ASP72I, ASP74C, ASP74I, ASP83I, GLU75C, GLU75I, GLY73C, GLY73I, LYS111C, LYS111I, LYS118C, LYS118I, LYS121I, TYR112C, TYR112I, VAL115C, VAL115I, VAL71I
• D-E: ALA110D, ALA139D, ALA139E, ALA154D, ALA49E, ALA51E, ALA97D, ALA99D, ARG101D, ARG101E, ARG113D, ARG132D, ARG50E, ASN117D, ASP108D, ASP122D, ASP126D, ASP141E, ASP144E, ASP149E, ASP53D, ASP53E, ASP98D, GLN120D, GLN136D, GLN136E, GLN142E, GLU147E, GLY125D, GLY127D, GLY143E, GLY150E, GLY43E, GLY48E, GLY52E, GLY58E, GLY59E, HIS61E, ILE123D, ILE148E, ILE31E, ILE32E, ILE47E, ILE57E, LEU102D, LEU102E, LEU135D, LEU135E, LEU140E, LEU29E, LYS118D, LYS121D, LYS30E, LYS96D, MET60E, MET85E, PHE105D, PHE105E, PHE152D, PHE152E, PHE54D, PHE54E, PHE56D, PHE56E, PHE82D, PRO114D, PRO128D, PRO130D, PRO131D, PRO138D, PRO138E, PRO155D, PRO41E, SER28E, SER42E, SER46E, THR103D, THR103E, THR107D, THR133D, THR151D, THR151E, THR44E, THR95D, TRP124D, TRP45E, TYR129D, TYR153D, TYR153E, VAL100D, VAL100E, VAL104D, VAL104E, VAL106D, VAL106E, VAL109D, VAL116D, VAL119D, VAL134D, VAL137D, VAL137E, VAL55E
• D-F: ALA110F, ALA139D, ALA139F, ALA154F, ALA49D, ALA51D, ALA97F, ALA99F, ARG101D, ARG101F, ARG113F, ARG132F, ARG50D, ASN117F, ASP108F, ASP122F, ASP126F, ASP141D, ASP144D, ASP149D, ASP53D, ASP53F, ASP98F, GLN120F, GLN136D, GLN136F, GLN142D, GLU147D, GLY125F, GLY127F, GLY143D, GLY150D, GLY43D, GLY48D, GLY52D, GLY58D, GLY59D, HIS61D, ILE123F, ILE148D, ILE31D, ILE32D, ILE47D, ILE57D, LEU102D, LEU102F, LEU135D, LEU135F, LEU140D, LEU29D, LYS118F, LYS121F, LYS30D, LYS96F, MET60D, MET85D, PHE105D, PHE105F, PHE152D, PHE152F, PHE54D, PHE54F, PHE56D, PHE56F, PHE82F, PRO114F, PRO128F, PRO130F, PRO131F, PRO138D, PRO138F, PRO41D, SER28D, SER42D, SER46D, THR103D, THR103F, THR107F, THR133F, THR151D, THR151F, THR44D, THR95F, TRP124F, TRP45D, TYR129F, TYR153D, TYR153F, VAL100F, VAL104D, VAL106D, VAL106F, VAL109F, VAL115F, VAL116F, VAL119F, VAL134F, VAL137D, VAL137F, VAL55D
• D-G: ALA110D, ARG113D, ARG132D, ARG65G, ARG80G, ASN117D, ASP122D, ASP64G, GLN120D, GLU75D, GLY43G, GLY68G, LYS111D, LYS118D, LYS121D, LYS69G, PRO114D, PRO41G, SER42G, THR40G, THR67G, TYR129D, VAL115D, VAL116D, VAL119D, VAL66G
• E-F: ALA110E, ALA139E, ALA139F, ALA154E, ALA49F, ALA51F, ALA97E, ALA99E, ARG101E, ARG101F, ARG113E, ARG132E, ARG50F, ASN117E, ASP108E, ASP122E, ASP126E, ASP141F, ASP144F, ASP149F, ASP53E, ASP53F, ASP98E, GLN120E, GLN136E, GLN136F, GLN142F, GLU147F, GLY125E, GLY127E, GLY143F, GLY150F, GLY43F, GLY48F, GLY52F, GLY58F, GLY59F, ILE123E, ILE148F, ILE31F, ILE32F, ILE47F, ILE57F, LEU102E, LEU102F, LEU135E, LEU135F, LEU140F, LEU29F, LYS118E, LYS121E, LYS30F, LYS96E, MET60F, MET85F, PHE105E, PHE105F, PHE152E, PHE152F, PHE54E, PHE54F, PHE56E, PHE56F, PHE82E, PRO114E, PRO128E, PRO130E, PRO131E, PRO138E, PRO138F, PRO155E, PRO41F, SER28F, SER42F, SER46F, THR103E, THR103F, THR107E, THR107F, THR133E, THR151E, THR151F, THR44F, THR95E, TRP124E, TRP45F, TYR129E, TYR153E, TYR153F, VAL100E, VAL100F, VAL104F, VAL106E, VAL106F, VAL109E, VAL116E, VAL119E, VAL134E, VAL137E, VAL137F, VAL55F
• E-G: ALA33G, ALA91G, ALA92G, ARG65E, ARG65G, ASP141E, ASP36G, ASP64E, ASP64G, ASP72E, GLN142E, GLU90G, GLY43E, GLY68E, GLY93G, ILE31G, ILE32G, ILE39E, LYS30G, LYS37G, LYS69E, MET70E, PRO34G, PRO41E, PRO41G, SER42E, THR35G, THR38G, THR40E, THR40G, THR44E, THR63E, THR67E, THR67G, TRP45E, VAL66E, VAL66G
• F-J: ALA76F, ARG77F, ARG79F, ARG79J, ARG80F, ASN117J, ASP122F, ASP122J, ASP126J, ASP64F, ASP72F, ASP74F, ASP83F, GLN120J, GLU75F, GLU75J, GLY125J, GLY127J, GLY73F, ILE123F, ILE123J, ILE145F, LYS111F, LYS118F, LYS118J, LYS121J, LYS96J, PRO114J, TRP124J, TYR112F, TYR129J, VAL115F, VAL115J, VAL119F, VAL119J, VAL71F
• F-K: GLU75F, THR44K
• G-H: ALA110G, ALA139G, ALA139H, ALA154G, ALA49H, ALA51H, ALA94G, ALA97G, ALA99G, ARG101G, ARG101H, ARG113G, ARG132G, ARG50H, ASN117G, ASP108G, ASP122G, ASP126G, ASP141H, ASP144H, ASP149H, ASP53G, ASP53H, ASP98G, GLN120G, GLN136G, GLN136H, GLN142H, GLU147H, GLY125G, GLY127G, GLY143H, GLY150H, GLY43H, GLY48H, GLY52H, GLY58H, GLY59H, HIS61H, ILE123G, ILE148H, ILE31H, ILE32H, ILE47H, ILE57H, LEU102G, LEU102H, LEU135G, LEU135H, LEU140H, LEU29H, LYS118G, LYS121G, LYS30H, LYS96G, MET60H, MET85H, PHE105G, PHE105H, PHE152G, PHE152H, PHE54G, PHE54H, PHE56G, PHE56H, PHE82G, PRO114G, PRO128G, PRO130G, PRO131G, PRO138G, PRO138H, PRO155G, PRO41H, SER28H, SER42H, SER46H, THR103G, THR103H, THR107G, THR133G, THR151G, THR151H, THR44H, THR95G, TRP124G, TRP45H, TYR129G, TYR153G, TYR153H, VAL100G, VAL100H, VAL104G, VAL104H, VAL106G, VAL106H, VAL109G, VAL116G, VAL119G, VAL134G, VAL137G, VAL137H, VAL55G, VAL55H
• G-I: ALA110I, ALA139G, ALA139I, ALA154I, ALA49G, ALA51G, ALA97I, ALA99I, ARG101G, ARG101I, ARG113I, ARG132I, ARG50G, ASN117I, ASP108I, ASP122I, ASP126I, ASP141G, ASP144G, ASP149G, ASP53G, ASP53I, ASP98I, GLN120I, GLN136G, GLN136I, GLN142G, GLU147G, GLY125I, GLY127I, GLY143G, GLY150G, GLY43G, GLY48G, GLY52G, GLY58G, GLY59G, HIS61G, ILE123I, ILE148G, ILE31G, ILE32G, ILE47G, ILE57G, LEU102G, LEU102I, LEU135G, LEU135I, LEU140G, LEU29G, LYS118I, LYS121I, LYS30G, LYS96I, MET60G, MET85G, PHE105G, PHE105I, PHE152G, PHE152I, PHE54G, PHE54I, PHE56G, PHE56I, PHE82I, PRO114I, PRO128I, PRO130I, PRO131I, PRO138G, PRO138I, PRO155I, PRO41G, SER28G, SER42G, SER46G, THR103G, THR103I, THR107I, THR133I, THR151G, THR151I, THR44G, THR95I, TRP124I, TRP45G, TYR129I, TYR153G, TYR153I, VAL100G, VAL100I, VAL104G, VAL106G, VAL106I, VAL109I, VAL116I, VAL119I, VAL134I, VAL137G, VAL137I, VAL55G
• H-I: ALA110H, ALA139H, ALA139I, ALA154H, ALA49I, ALA51I, ALA94H, ALA97H, ALA99H, ARG101H, ARG101I, ARG113H, ARG132H, ARG50I, ASN117H, ASP108H, ASP122H, ASP126H, ASP141I, ASP149I, ASP53H, ASP53I, ASP98H, GLN120H, GLN136H, GLN136I, GLN142I, GLU147I, GLY125H, GLY127H, GLY143I, GLY150I, GLY43I, GLY48I, GLY52I, GLY58I, GLY59I, HIS61I, ILE123H, ILE148I, ILE31I, ILE32I, ILE47I, ILE57I, LEU102H, LEU102I, LEU135H, LEU135I, LEU140I, LEU29I, LYS118H, LYS121H, LYS30I, LYS96H, MET60I, MET85I, PHE105H, PHE105I, PHE152H, PHE152I, PHE54H, PHE54I, PHE56H, PHE56I, PHE82H, PRO114H, PRO128H, PRO130H, PRO131H, PRO138H, PRO138I, PRO155H, PRO41I, SER28I, SER42I, SER46I, THR103H, THR103I, THR107H, THR133H, THR151H, THR151I, THR44I, THR95H, TRP124H, TRP45I, TYR129H, TYR153H, TYR153I, VAL100H, VAL104I, VAL106H, VAL106I, VAL109H, VAL116H, VAL119H, VAL134H, VAL137H, VAL137I, VAL55I
• J-K: ALA110J, ALA139J, ALA139K, ALA154J, ALA49K, ALA51K, ALA94J, ALA97J, ALA99J, ARG101J, ARG101K, ARG113J, ARG132J, ARG50K, ASN117J, ASP108J, ASP122J, ASP126J, ASP141K, ASP144K, ASP149K, ASP53J, ASP53K, ASP98J, GLN120J, GLN136J, GLN136K, GLN142K, GLU147K, GLY125J, GLY127J, GLY143K, GLY150K, GLY43K, GLY48K, GLY52K, GLY58K, GLY59K, HIS61K, ILE123J, ILE148K, ILE31K, ILE32K, ILE47K, ILE57K, LEU102J, LEU102K, LEU135J, LEU135K, LEU140K, LEU29K, LYS118J, LYS121J, LYS30K, LYS96J, MET60K, MET85K, PHE105J, PHE105K, PHE152J, PHE152K, PHE54J, PHE54K, PHE56J, PHE56K, PHE82J, PRO114J, PRO128J, PRO130J, PRO131J, PRO138J, PRO138K, PRO155J, PRO41K, SER28K, SER42K, SER46K, THR103J, THR103K, THR107J, THR107K, THR133J, THR151J, THR151K, THR44K, THR95J, TRP124J, TRP45K, TYR129J, TYR153J, TYR153K, VAL100J, VAL104J, VAL104K, VAL106J, VAL106K, VAL109J, VAL116J, VAL119J, VAL134J, VAL137J, VAL137K, VAL55K
• J-L: ALA110L, ALA139J, ALA139L, ALA146J, ALA154L, ALA49J, ALA51J, ALA97L, ALA99L, ARG101J, ARG101L, ARG113L, ARG132L, ARG50J, ASN117L, ASP108L, ASP122L, ASP126L, ASP141J, ASP144J, ASP149J, ASP53J, ASP53L, ASP98L, GLN120L, GLN136J, GLN136L, GLN142J, GLU147J, GLY125L, GLY127L, GLY143J, GLY150J, GLY43J, GLY48J, GLY52J, GLY58J, GLY59J, HIS61J, ILE123L, ILE148J, ILE31J, ILE32J, ILE47J, ILE57J, LEU102J, LEU102L, LEU135J, LEU135L, LEU140J, LEU29J, LYS118L, LYS121L, LYS30J, LYS96L, MET60J, MET85J, PHE105J, PHE105L, PHE152J, PHE152L, PHE54J, PHE54L, PHE56J, PHE56L, PRO114L, PRO128L, PRO130L, PRO131L, PRO138J, PRO138L, PRO155L, PRO41J, SER28J, SER42J, SER46J, THR103J, THR103L, THR107L, THR133L, THR151J, THR151L, THR44J, THR95L, TRP124L, TRP45J, TYR129L, TYR153J, TYR153L, VAL100J, VAL100L, VAL104J, VAL104L, VAL106J, VAL106L, VAL109L, VAL116L, VAL119L, VAL134L, VAL137J, VAL137L, VAL55J
• K-L: ALA110K, ALA139K, ALA139L, ALA154K, ALA33L, ALA49L, ALA51L, ALA94K, ALA97K, ALA99K, ARG101K, ARG101L, ARG113K, ARG132K, ARG50L, ASN117K, ASP108K, ASP122K, ASP126K, ASP141L, ASP144L, ASP149L, ASP53K, ASP53L, ASP98K, GLN120K, GLN136K, GLN136L, GLN142L, GLU147L, GLY125K, GLY127K, GLY143L, GLY150L, GLY43L, GLY48L, GLY52L, GLY58L, GLY59L, HIS61L, ILE123K, ILE148L, ILE31L, ILE32L, ILE47L, ILE57L, LEU102K, LEU102L, LEU135K, LEU135L, LEU140L, LEU29L, LYS118K, LYS121K, LYS30L, LYS96K, MET60L, MET85L, PHE105K, PHE105L, PHE152K, PHE152L, PHE54K, PHE54L, PHE56K, PHE56L, PHE82K, PRO114K, PRO128K, PRO130K, PRO131K, PRO138K, PRO138L, PRO155K, PRO34L, PRO41L, SER28L, SER42L, SER46L, THR103K, THR103L, THR107K, THR107L, THR133K, THR151K, THR151L, THR44L, THR95K, TRP124K, TRP45L, TYR129K, TYR153K, TYR153L, VAL100K, VAL100L, VAL104K, VAL104L, VAL106K, VAL106L, VAL109K, VAL116K, VAL119K, VAL134K, VAL137K, VAL137L, VAL55K, VAL55L