3CF5

thiopeptide antibiotic thiostrepton bound to the large ribosomal subunit of deinococcus radiodurans

• Total interactions analyzed: 465
• Total true interactions: 29
• Strongest Interaction:
  • Chains: H-M
  • Int. Res.: 87
  • Norm. En. per Res.: -5.3517
• Hub Node: B(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
1-3	0.0	0.0	-0.0508	-0.0508	3	0	0	25	0	0	0
2-C	0.0	0.0	-0.0335	-0.0335	2	0	0	15	0	0	0
3-I	0.0	0.0	-22.5152	-22.5152	40	7	0	1757	0	0	0
4-E	0.0	0.0	-0.2885	-0.2885	6	0	0	99	0	0	1
4-G	0.0	0.0	-0.0286	-0.0286	2	0	0	9	0	3	1
4-J	0.0	0.0	-0.2252	-0.2252	4	0	0	66	0	1	4
5-F	0.0	0.0	-4.0261	-4.0261	12	0	0	492	0	0	0
B-G	0.0	0.0	-21.9037	-21.9037	14	13	1	1402	0	0	1
B-H	-12.3786	3.6212	-23.5282	-32.2856	16	4	1	803	0	6	5
B-K	-9.6147	4.5441	-21.2445	-26.3151	16	2	0	1553	0	1	7
B-M	-20.0733	-5.4663	-205.881	-231.4205	93	51	10	12115	3	16	23
C-I	-8.6174	-37.1664	-51.2429	-97.0267	39	12	0	3018	5	13	14
C-N	0.0	0.0	-0.797	-0.797	10	0	0	198	0	0	2
F-J	0.0	0.0	-0.1925	-0.1925	2	0	0	40	0	0	2
F-S	0.0	0.0	-8.8946	-8.8946	12	0	0	503	0	1	2
G-N	-14.6109	4.1885	-103.083	-113.5054	44	20	2	5016	0	8	27
G-O	0.0	0.0	-0.5652	-0.5652	7	0	0	94	0	2	2
H-M	-101.3043	-111.3087	-252.983	-465.596	87	61	2	11554	11	47	46
I-N	0.0	0.0	-0.8794	-0.8794	6	0	0	135	0	0	2
I-O	-12.4313	40.4099	-27.2746	0.704	16	29	0	1616	0	0	8
J-S	-18.2215	8.8711	-132.002	-141.3523	89	19	0	7116	0	43	39
J-T	0.0	1.6851	-7.9388	-6.2537	9	1	0	412	0	1	4
K-P	0.0	-13.962	-3.8666	-17.8286	17	0	0	451	0	3	4
K-Y	0.0	12.317	-75.9106	-63.5936	32	4	4	3425	0	4	11
L-T	0.0	0.0	-1.8327	-1.8327	10	0	0	178	0	0	0
N-O	-27.3683	2.6587	-169.384	-194.0936	90	48	9	9578	1	26	36
N-Y	0.0	3.847	-5.2375	-1.3905	11	0	0	503	0	0	7
P-Y	-8.2412	40.511	-82.2232	-49.9534	57	14	8	5164	2	16	24
Q-V	-6.4486	-3.6565	-70.0625	-80.1676	40	7	4	4176	0	9	12

Interface residues

• 1-3: GLY353, THR241, THR251
• 2-C: LYS372, LYS53C
• 3-I: ALA103, ALA243, ALA513, ALA533, ALA563, ALA58I, ARG123, ARG133, ARG303, ARG53I, ARG55I, ARG59I, ARG63I, ASN66I, GLU50I, GLY283, GLY51I, GLY64I, ILE143, ILE57I, LEU503, LEU56I, LEU60I, LYS113, LYS153, LYS263, LYS523, LYS593, LYS62I, LYS83, MET233, MET583, MET93, PHE253, PHE65I, PRO61I, SER273, THR63, TRP553, VAL493
• 4-E: ALA156E, LYS153E, LYS172E, LYS314, LYS334, VAL304
• 4-G: ASP96G, HIS204
• 4-J: ARG120J, HIS124J, LYS84, SER64
• 5-F: ALA20F, ALA26F, ALA45, GLN29F, GLY24F, PRO21F, PRO22F, PRO25F, SER55, THR125, THR75, VAL23F
• B-G: ARG149B, GLN107G, GLN143B, GLY105G, GLY108G, GLY153B, LEU110G, LYS152B, LYS154B, PRO147B, THR104G, TYR106G, TYR151B, VAL150B
• B-H: ALA20B, ALA84H, ARG19B, ARG83H, ASN17B, ASP18B, ASP85H, GLN13B, GLY86H, ILE14B, ILE21B, LYS16B, LYS82H, PRO22B, SER87H, TRP15B
• B-K: ALA191B, ASN192B, GLN114B, GLY110B, GLY112B, GLY4K, HIS159B, HIS3K, LYS109B, LYS111B, LYS118B, LYS5K, MET160B, MET162B, SER108B, THR113B
• B-M: ALA191B, ALA20B, ALA52B, ALA55B, ALA84M, ARG14M, ARG176B, ARG19B, ARG22M, ARG40M, ARG63M, ARG76B, ARG79B, ARG9M, ASN17B, ASN180B, ASN192B, ASN8M, ASP18B, ASP19M, GLN13B, GLN18M, GLN2M, GLU11M, GLU174B, GLU179B, GLU17M, GLY106B, GLY10B, GLY10M, GLY15M, GLY190B, GLY193B, GLY194B, GLY29B, GLY61M, GLY6B, HIS20M, HIS4M, ILE14B, ILE16M, ILE175B, ILE182B, ILE21B, ILE5M, ILE77B, ILE7M, ILE9B, LEU12M, LEU13M, LEU181B, LEU183B, LEU195B, LEU27B, LEU5B, LEU87M, LYS109B, LYS16B, LYS54B, LYS58B, LYS64M, LYS6M, LYS8B, MET11B, MET162B, PHE81M, PHE83M, PRO30B, PRO53B, PRO82M, PRO86M, SER60M, SER62M, SER65M, SER85M, THR107B, THR12B, THR21M, THR24B, THR37M, THR3M, THR75B, THR7B, TRP15B, TYR51B, VAL173B, VAL184B, VAL196B, VAL23B, VAL25B, VAL26B, VAL39M, VAL88M
• C-I: ARG111C, ARG13I, ARG16I, ARG182C, ARG18I, ARG21I, ASN23C, ASP15I, ASP184C, GLU29C, GLY11I, GLY25C, HIS183C, HIS28C, HIS4I, ILE180C, LEU102C, LEU181C, LEU27C, LEU35C, LEU95C, LYS147C, LYS14I, LYS17I, PRO10I, SER110C, SER12I, SER24C, THR145C, THR32C, THR9I, TRP33C, TYR178C, TYR93C, VAL19I, VAL26C, VAL30C, VAL31C, VAL99C
• C-N: ALA43C, ARG39C, ARG3N, ARG89C, PRO2N, PRO86C, SER44C, THR42C, THR45C, VAL82C
• F-J: ARG61J, LYS93F
• F-S: ALA94F, ARG103S, ARG132F, ASN92F, GLN109S, GLU107S, GLY110S, GLY111S, LYS93F, PRO174S, THR90F, VAL108S
• G-N: ALA100N, ALA67N, ALA69N, ALA96N, ALA99N, ARG101N, ARG58N, ARG59N, ARG61G, ARG63G, ARG64N, ARG67G, ARG70N, ASN66N, ASN73G, ASP56N, ASP69G, ASP97N, GLN63N, GLY64G, GLY68N, GLY73N, HIS66G, HIS72N, ILE33G, ILE62N, ILE65N, ILE98N, LEU60N, LEU71N, LYS30G, LYS35G, LYS65G, PHE57N, PHE70G, PRO103N, PRO34G, PRO68G, PRO72G, THR31G, THR71G, TRP61N, TYR32G, VAL94N
• G-O: ARG13O, ASP18O, GLU16O, GLY17O, ILE20O, LYS30G, VAL19O
• H-M: ALA115H, ALA11H, ALA130H, ALA49M, ALA56M, ALA80H, ALA84H, ALA84M, ALA95H, ARG108M, ARG116H, ARG119H, ARG121H, ARG122H, ARG34M, ARG40M, ARG44M, ARG46M, ARG69M, ARG76H, ARG79M, ARG83H, ARG90H, ARG93H, ASN58M, ASN94H, ASP120H, ASP36M, ASP85H, ASP92H, ASP9H, GLN48M, GLU109M, GLU117H, GLU132H, GLU41M, GLU51M, GLU75M, GLU78M, GLY112H, GLY42M, GLY74M, GLY76M, GLY86H, ILE55M, ILE71M, ILE81H, ILE89H, LEU107M, LEU118H, LEU134H, LEU87M, LYS38M, LYS70M, LYS82H, MET124H, PHE111H, PHE50M, PHE66M, PHE73M, PHE81M, PHE91H, PRO113H, PRO131H, PRO82M, PRO86M, SER47M, SER65M, SER72M, SER78H, SER85M, SER87H, THR37M, THR45M, THR67M, THR88H, TYR105M, VAL10H, VAL114H, VAL127H, VAL133H, VAL39M, VAL68M, VAL75H, VAL77M, VAL80M, VAL88M
• I-N: ARG13N, ARG32I, GLN37N, LEU40N, PHE36N, THR29I
• I-O: ALA30I, ARG32I, ARG81O, ARG82O, GLN79O, GLY31I, GLY33I, GLY77O, HIS34I, LYS35I, LYS73O, LYS75O, SER76O, TYR74O, TYR80O, VAL78O
• J-S: ALA108J, ALA141J, ALA22J, ALA29J, ALA37J, ALA42S, ALA68S, ALA77S, ARG102J, ARG135J, ARG175S, ARG44S, ARG60J, ARG61J, ARG74S, ARG76S, ASN119S, ASP114S, ASP139J, ASP21J, ASP26J, ASP32J, ASP40S, ASP72S, GLN121S, GLN45S, GLN46S, GLN70S, GLU136J, GLU140J, GLU39J, GLY101J, GLY109J, GLY110S, GLY111S, GLY20J, GLY24J, GLY25J, GLY31J, GLY62J, GLY63J, HIS118S, HIS99S, ILE115S, ILE36J, ILE65J, LEU112S, LEU120S, LEU166S, LEU172S, LYS116J, LYS131J, LYS134J, LYS23J, LYS64J, LYS67S, LYS73S, LYS75S, LYS99J, MET132J, MET38J, MET71S, PHE30J, PHE39S, PHE43S, PRO100J, PRO173S, PRO174S, PRO40J, PRO78S, PRO97S, SER47S, SER95S, THR19J, THR48S, TYR138J, TYR27J, TYR33J, TYR66J, VAL110J, VAL113S, VAL116S, VAL117S, VAL133J, VAL137J, VAL28J, VAL66S, VAL69S, VAL98S
• J-T: ARG14T, ASN12T, GLN13J, GLY13T, LYS11T, LYS86J, PHE14J, SER10T, SER9T
• K-P: ARG103K, ARG104K, ARG58P, ARG62P, ASP106K, GLU66P, GLY101K, GLY107K, ILE60P, MET33P, PHE59P, PRO61P, PRO67P, SER63P, THR102K, VAL100K, VAL108K
• K-Y: ALA111K, ARG33K, ARG55Y, ARG96K, ARG99K, ASP53Y, CYS46Y, GLN35K, GLN56Y, GLU114K, GLY101K, GLY50Y, GLY54Y, HIS43Y, HIS44Y, ILE45Y, ILE97K, LEU112K, LEU38K, LEU41Y, LEU58Y, LEU98K, MET110K, PRO28Y, PRO47Y, SER42Y, THR102K, THR109K, TYR51Y, TYR52Y, VAL100K, VAL57Y
• L-T: ALA22L, ALA23L, GLN49T, GLY48T, GLY50T, LEU62T, SER46L, THR20L, THR21L, VAL51T
• N-O: ALA105N, ALA108N, ALA112N, ALA37O, ALA42N, ALA43N, ALA51O, ALA86N, ARG101N, ARG13O, ARG20N, ARG21O, ARG48N, ARG50N, ARG51N, ARG58N, ARG72O, ARG81O, ARG82O, ARG83O, ARG92N, ASN41N, ASN87N, ASN91N, ASP111N, ASP50O, ASP89N, ASP97N, GLN11O, GLN37N, GLN6O, GLN79O, GLU102N, GLU104N, GLU43O, GLU46N, GLU49O, GLY48O, GLY52O, GLY77O, GLY8O, GLY9O, HIS86O, ILE5O, ILE69O, ILE71O, ILE88N, ILE98N, LEU109N, LEU38O, LEU39N, LEU40N, LEU83N, LEU90N, LEU95N, LYS107N, LYS10O, LYS16N, LYS36O, LYS53N, LYS54N, LYS73O, LYS75O, LYS93N, PHE106N, PHE24N, PHE36N, PHE39O, PHE47O, PRO103N, SER113N, SER76O, THR38N, THR44N, THR45O, THR7O, THR84O, TRP61N, TYR12O, TYR32N, TYR45N, TYR47N, TYR70O, TYR74O, TYR80O, VAL110N, VAL17N, VAL40O, VAL46O, VAL94N
• N-Y: GLN31N, GLY26N, LYS10Y, LYS13Y, LYS15Y, LYS30N, MET18Y, SER12Y, SER14Y, SER27N, TRP25N
• P-Y: ALA110P, ALA24Y, ALA27Y, ALA2Y, ALA53P, ALA64P, ARG109P, ARG111P, ARG16Y, ARG19Y, ARG20Y, ARG36P, ARG39P, ARG58P, ARG62P, ASN115P, ASN29Y, ASN48Y, ASP17Y, ASP43P, ASP52P, ASP55P, CYS46Y, GLN51P, GLU32Y, GLU54P, GLY38Y, HIS22Y, HIS23Y, HIS44Y, ILE45P, ILE45Y, ILE60P, LEU25Y, LEU30Y, LEU40P, LEU41Y, LEU56P, LEU57P, LYS37P, LYS39Y, LYS3Y, LYS40Y, LYS48P, PHE59P, PRO28Y, PRO47Y, PRO61P, SER113P, SER42Y, SER49P, THR26Y, THR31Y, VAL38P, VAL41P, VAL42P, VAL44P
• Q-V: ALA20V, ALA32V, ALA33V, ALA34V, ALA45Q, ALA9Q, ARG21V, ARG29V, ASP19V, ASP5Q, GLN31V, GLN44Q, GLN8Q, GLN94Q, GLU24V, GLU27V, GLU89Q, GLY35V, HIS3Q, ILE12Q, ILE18V, ILE42Q, ILE6Q, ILE88Q, LEU25V, LEU28V, LEU7Q, LEU91Q, LYS22V, LYS23V, MET26V, PHE27Q, PHE30V, PHE46Q, PRO10Q, SER2Q, TRP28Q, TYR4Q, VAL11Q, VAL29Q