2OTL

girodazole bound to the large subunit of haloarcula marismortui

• Total interactions analyzed: 465
• Total true interactions: 27
• Strongest Interaction:
  • Chains: A-Z
  • Int. Res.: 114
  • Norm. En. per Res.: -3.8112
• Hub Node: C(5)

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-M	0.0	0.0	-0.2378	-0.2378	4	0	0	60	0	0	3
A-Z	-85.9135	-32.1853	-316.378	-434.4767	114	19	7	12952	4	26	24
B-J	-18.9533	-24.4625	-48.8234	-92.2392	32	2	0	1926	1	3	0
B-K	-8.2316	7.8059	-45.4328	-45.8585	39	4	0	2651	0	11	18
B-U	-13.7609	6.7419	-42.4421	-49.461	26	4	0	1344	0	4	5
C-L	0.0	0.0	-0.0033	-0.0033	2	0	0	5	0	0	3
C-O	0.0	5.1402	-38.2166	-33.0764	18	3	0	1581	0	7	6
C-T	0.0	0.867	-14.0799	-13.2129	14	0	0	796	0	3	10
C-Y	0.0	0.0	-0.0134	-0.0134	2	0	0	10	0	1	2
C-1	-3.9612	-12.2647	-41.459	-57.6849	16	2	0	1383	1	6	6
D-N	-16.0492	0.7301	-41.6367	-56.9558	28	9	1	2247	0	13	20
E-J	-10.3504	8.3385	-60.6287	-62.6405	25	2	1	2354	0	7	8
F-M	-32.7735	-3.7638	-183.338	-219.8754	71	14	2	7825	4	23	26
H-Q	0.0	0.0	-0.0481	-0.0481	3	0	0	16	0	0	0
K-U	-47.7473	-15.7517	-142.161	-205.66	54	9	3	5771	1	17	20
L-M	0.0	0.0	-0.0185	-0.0185	2	0	0	14	0	0	1
L-O	0.0	0.0	-13.6569	-13.6569	25	0	0	973	0	5	5
L-Y	0.0	0.0	-11.8221	-11.8221	14	1	0	396	0	0	12
L-3	0.0	0.0	-4.2256	-4.2256	5	0	0	186	0	0	2
M-3	0.0	-2.6678	-35.2983	-37.9661	21	1	0	1687	0	4	1
N-Q	0.0	5.9204	-99.3973	-93.4769	55	4	3	4908	0	10	18
R-X	0.0	0.0	-0.1024	-0.1024	3	0	0	7	0	0	8
R-2	0.0	0.0	-0.0949	-0.0949	3	0	0	32	0	0	1
S-V	0.0	-3.1474	-50.7209	-53.8683	38	0	3	2750	1	11	13
S-2	-5.7909	-4.5887	-46.8326	-57.2122	25	3	0	2282	1	19	11
T-2	0.0	0.0	-0.034	-0.034	2	0	0	6	0	2	2
1-2	0.0	-7.0229	-43.1517	-50.1746	23	7	0	1743	0	19	16

Interface residues

• A-M: ARG3A, ARG75M, ARG76M, LYS78M
• A-Z: ALA160A, ALA172A, ALA27Z, ALA53A, ALA56A, ALA57A, ALA70A, ALA89A, ARG10Z, ARG13Z, ARG164A, ARG17Z, ARG182A, ARG23Z, ARG24Z, ARG25Z, ARG49Z, ARG51A, ARG80Z, ARG81Z, ASN125A, ASN174A, ASN41Z, ASP166A, ASP44A, ASP48A, ASP61Z, ASP78A, CYS106A, CYS60Z, GLN127A, GLN50Z, GLN56Z, GLU101A, GLU28Z, GLU30Z, GLU46A, GLU72A, GLU72Z, GLY102A, GLY123A, GLY157A, GLY161A, GLY162A, GLY163A, GLY19Z, GLY51Z, GLY53Z, GLY66Z, GLY67Z, GLY73A, GLY75A, GLY75Z, GLY76Z, GLY77A, GLY91A, HIS47A, ILE156A, ILE29Z, ILE45A, ILE54Z, ILE68A, ILE88A, LEU69A, LYS167A, LYS171A, LYS178A, LYS24A, LYS63Z, LYS70Z, LYS77Z, MET33Z, PHE14Z, PHE169A, PHE64Z, PRO100A, PRO104A, PRO168A, PRO40Z, PRO54A, PRO71A, PRO71Z, PRO74Z, PRO90A, SER11Z, SER122A, SER22Z, SER31Z, SER52A, SER68Z, SER82Z, THR165A, THR52Z, THR65Z, THR73Z, THR78Z, TRP55Z, TYR18Z, TYR62Z, TYR69Z, VAL103A, VAL105A, VAL124A, VAL158A, VAL159A, VAL170A, VAL21Z, VAL26Z, VAL42A, VAL43A, VAL55A, VAL74A, VAL76A, VAL79Z
• B-J: ALA4J, ARG102J, ARG246B, ARG248B, ARG74J, ARG95B, ASN142J, ASN65J, ASN67J, ASP66J, ASP76J, ASP89B, GLN94B, GLY106J, GLY64J, GLY68J, GLY93B, LEU105J, LYS143J, PRO108J, PRO244B, PRO91B, SER249B, THR144J, THR250B, THR90B, TRP145J, TYR104J, TYR92B, VAL103J, VAL247B, VAL251B
• B-K: ALA3K, ALA6K, ARG115K, ARG43K, ARG5B, ARG62B, ARG81K, ARG82K, ARG87K, ASN42K, ASN55B, ASP84K, GLN119K, GLN221B, GLN2B, GLU2K, GLU66B, GLU67B, GLY39K, GLY5K, GLY85K, HIS50B, LEU4K, LEU53B, LYS224B, LYS41K, LYS8B, MET65B, PRO3B, PRO61B, PRO6B, PRO70B, PRO83K, SER4B, THR40K, THR68B, THR86K, VAL52B, VAL69B
• B-U: ASN332B, ASP12U, ASP281B, CYS32U, GLU14U, GLU333B, GLU66B, GLY16U, GLY18U, GLY337B, HIS50B, ILE13U, LYS35U, PRO15U, SER331B, SER334B, SER33U, SER34U, THR17U, THR49B, THR68B, TYR329B, VAL330B, VAL51B, VAL52B, VAL69B
• C-L: ARG8L, HIS90C
• C-O: ARG27C, ARG36C, ARG37O, ARG6O, ASN4O, ASP29C, GLU23C, LEU109C, LEU30C, LEU7O, LYS33C, PRO25C, PRO5O, SER113C, SER28C, THR24C, THR3O, VAL26C
• C-T: ALA181C, ARG182C, ARG184C, ARG8T, ASP5T, GLN3T, GLN44C, GLY179C, GLY183C, LYS185C, LYS2T, PRO4T, SER180C, TYR186C
• C-Y: ALA176C, LYS208Y
• C-1: ALA52C, ALA541, ALA58C, ARG55C, ARG79C, ASP49C, GLU50C, GLU561, GLY53C, GLY551, LEU54C, LYS531, PRO57C, SER521, THR56C, TYR51C
• D-N: ALA147D, ALA16N, ALA36N, ARG11N, ARG12N, ARG13N, ARG140D, ARG144D, ARG149D, ARG14N, ARG17N, ARG37N, ASN107N, ASN40N, ASP145D, ASP19N, GLU15N, GLY105N, ILE104N, LEU106N, LYS114N, LYS146D, LYS38N, SER108N, SER148D, SER39N, THR18N, VAL115N
• E-J: ARG123J, ARG32E, ASN126J, ASP122J, ASP37E, ASP39E, GLU134J, HIS17E, ILE127J, ILE38E, LEU121J, LEU124J, LEU18E, LYS128J, LYS57E, PHE129J, PHE65E, PRO36E, SER125J, THR61E, TRP34E, TYR35E, VAL130J, VAL40E, VAL45J
• F-M: ALA11M, ALA1M, ALA21M, ALA4M, ARG27M, ARG2M, ARG42F, ARG42M, ARG45M, ARG50M, ARG64M, ARG9M, ASN34F, ASP10M, ASP17M, ASP47M, ASP5F, GLN19M, GLN24M, GLN26M, GLN55F, GLN80F, GLU130M, GLU22M, GLU30M, GLU35F, GLU41F, GLU41M, GLU57F, GLU58F, GLU65F, GLU69F, GLY18M, GLY32F, HIS62F, ILE40F, ILE40M, ILE59F, ILE63F, ILE8M, LEU20M, LEU23M, LEU46M, LEU66F, LYS38F, LYS70F, MET61F, PRO1F, PRO43M, PRO56F, PRO64F, SER39F, SER3M, SER6M, THR33F, THR36F, THR37F, THR44M, TRP12M, TRP31M, TYR118M, TYR3F, TYR54M, TYR5M, TYR7M, VAL120M, VAL2F, VAL4F, VAL54F, VAL60F, VAL91F
• H-Q: ARG11Q, ARG16H, TYR19H
• K-U: ALA114K, ALA27U, ARG115K, ARG4U, ARG75K, ARG77K, ARG81K, ARG82K, ARG87K, ASN38U, ASP25U, ASP41U, ASP84K, ASP92K, CYS32U, GLN76K, GLU14U, GLU37U, GLU91K, GLY111K, GLY16U, GLY18U, GLY26U, GLY85K, HIS23U, HIS30U, ILE113K, ILE131K, ILE13U, ILE80K, LEU49K, LYS110K, LYS24U, LYS89K, MET130K, MET20U, PHE21U, PHE31U, PHE90K, PRO112K, PRO15U, PRO79K, PRO83K, SER34U, THR129K, THR17U, THR19K, THR19U, THR28U, THR29U, THR86K, VAL132K, VAL22U, VAL88K
• L-M: LYS178M, LYS56L
• L-O: ARG115L, ARG50O, ARG67L, ASN72L, ASP70L, GLN113L, GLN71O, GLN91O, GLU49O, GLU68L, GLU71L, GLY46O, GLY66O, GLY68O, HIS116L, LEU45O, LEU70O, LEU75L, LYS88O, SER67O, THR74L, THR84O, THR87O, VAL69O, VAL73L
• L-Y: ARG11L, ARG130Y, ARG144Y, ARG147Y, ARG6L, ARG8L, GLN149Y, GLN7L, GLY148Y, GLY9L, HIS13L, LYS145Y, SER10L, THR12L
• L-3: GLN393, ILE363, LYS48L, LYS513, TRP353
• M-3: ARG423, ARG82M, ARG85M, ARG90M, ASN433, ASN483, ASP493, GLN86M, GLY453, GLY473, GLY503, GLY87M, ILE463, ILE91M, LYS74M, LYS84M, SER443, SER83M, THR89M, THR92M, VAL88M
• N-Q: ALA1N, ALA29Q, ALA89Q, ARG13N, ARG19Q, ARG21Q, ARG23N, ARG25N, ARG28Q, ARG5N, ARG93Q, ASN16Q, ASN49Q, ASN53N, ASP19N, ASP20Q, ASP55N, ASP69Q, GLN22N, GLN27Q, GLU31Q, GLU32Q, GLY22Q, GLY30N, GLY3N, GLY51N, GLY54N, HIS21N, LEU24N, LEU26N, LEU27N, LEU50N, LYS15Q, LYS17Q, LYS28N, LYS7N, MET10N, PRO18Q, PRO25Q, PRO26Q, PRO48Q, PRO4N, PRO52N, PRO9N, SER24Q, SER29N, SER46Q, THR18N, THR23Q, THR87Q, TYR20N, TYR6N, VAL30Q, VAL47Q, VAL8N
• R-X: ASP44X, ASP46X, GLU52R
• R-2: ARG125R, ARG442, PRO127R
• S-V: ALA27S, ALA30V, ALA32V, ALA35V, ALA36V, ALA40S, ALA78S, ARG31V, ARG80S, ASN29V, ASP21V, ASP3S, GLN34V, GLN44S, GLY37V, GLY38V, HIS7S, HIS9S, ILE53V, ILE5S, ILE81S, LEU27V, LEU28V, LYS24V, LYS57V, LYS6S, MET15S, PHE26S, PRO8S, SER1S, THR11S, THR25V, TRP2S, TYR45S, VAL10S, VAL33V, VAL41S, VAL4S
• S-2: ALA122, ALA32S, ARG102, ARG31S, ASN162, ASN56S, ASP152, ASP29S, ASP30S, ASP59S, GLN55S, GLU61S, GLY60S, LEU112, LEU142, LYS132, LYS32, LYS52, LYS62S, LYS6S, LYS82, LYS92, MET58S, THR57S, THR72
• T-2: ASP302, LYS69T
• 1-2: ALA62, ARG102, ARG201, ASP462, ASP482, CYS191, GLU241, GLU492, GLY12, GLY231, HIS161, LEU142, LYS132, LYS181, LYS251, SER261, THR141, THR151, THR171, THR291, THR472, THR72, TYR271