2V18

crystal structure of the t. thermophilus dodecin

• Total interactions analyzed: 66
• Total true interactions: 30
• Strongest Interaction:
  • Chains: J-K
  • Int. Res.: 58
  • Norm. En. per Res.: -4.4241
• Hub Node: A(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-B	-48.1684	-18.4624	-174.602	-241.2328	57	8	7	6875	3	18	15
A-C	-49.9536	-14.5169	-181.349	-245.8195	57	9	7	6944	3	18	16
A-H	-72.5763	-12.6099	-135.723	-220.9092	59	8	6	5694	3	28	28
A-J	0.0	0.0	-6.5986	-6.5986	7	1	0	211	0	4	2
A-L	-62.6488	-25.5033	-137.724	-225.8761	58	7	6	5704	4	28	28
B-C	-46.375	-17.5168	-175.408	-239.2998	57	10	7	6839	3	18	16
B-F	-70.876	-19.4564	-141.483	-231.8153	58	7	6	5793	4	28	28
B-G	-70.2196	-34.071	-146.244	-250.5346	58	9	6	5959	3	28	29
B-H	0.0	0.0	-6.5647	-6.5647	6	1	0	210	0	4	2
C-E	-72.2512	-24.8927	-132.179	-229.3229	57	7	6	5603	3	28	28
C-F	0.0	0.0	-5.961	-5.961	7	1	0	219	0	4	2
C-J	-70.2257	-9.632	-128.187	-208.0448	57	7	6	5509	3	28	28
D-E	-50.3063	-16.102	-180.382	-246.7903	58	12	7	6992	3	18	16
D-F	-41.4294	-12.299	-162.108	-215.8364	57	8	7	6603	3	18	16
D-G	0.0	0.0	-6.5117	-6.5117	7	1	0	215	0	4	2
D-I	-62.4662	-21.6917	-128.473	-212.6309	57	6	6	5569	3	28	29
D-K	-76.8575	-25.1161	-130.667	-232.6406	57	7	6	5558	4	28	28
E-F	-49.4179	-12.9327	-177.042	-239.3926	57	11	7	6865	3	17	16
E-J	-74.8105	-23.2127	-145.276	-243.2991	58	8	6	5911	3	29	29
E-K	0.0	0.0	-6.8276	-6.8276	7	1	0	214	0	4	2
F-G	-80.3162	-15.3552	-128.509	-224.1804	57	7	6	5541	3	28	28
G-H	-40.6542	-14.6156	-170.083	-225.3528	57	7	7	6711	3	18	16
G-I	-42.845	-12.6534	-176.966	-232.4644	57	9	7	6812	3	18	16
H-I	-50.8422	-12.3811	-177.684	-240.9073	57	8	7	6858	3	18	16
H-L	-72.0402	-22.7337	-140.551	-235.3249	58	9	6	5811	3	28	29
I-K	-52.5334	-3.5196	-117.486	-173.539	56	6	6	5348	3	28	28
I-L	0.0	0.0	-6.7861	-6.7861	7	1	0	215	0	4	2
J-K	-52.6649	-14.3626	-189.572	-256.5995	58	13	7	7196	3	18	16
J-L	-55.4132	-13.115	-174.714	-243.2422	57	8	7	6765	3	17	17
K-L	-52.8759	-12.392	-187.273	-252.5409	58	8	7	7034	3	18	16

Interface residues

• A-B: ALA20A, ALA20B, ALA21A, ALA21B, ALA24A, ALA25A, ALA27A, ALA29A, ALA51B, ARG30A, ARG45B, ASP37A, GLN23A, GLN57B, GLU15B, GLU16B, GLU19A, GLU19B, GLU40A, GLU43A, GLU43B, GLU50B, GLU55B, GLU61A, GLY17A, GLY17B, GLY46B, GLY49B, GLY52B, GLY63A, HIS35A, ILE22A, ILE44A, ILE44B, ILE48B, LEU10A, LEU18A, LEU18B, LEU26A, LEU33A, LEU36A, LEU60A, LYS42A, LYS42B, LYS54B, LYS7A, PHE39A, PHE64A, THR47B, TRP38A, TYR56B, VAL41A, VAL41B, VAL53B, VAL58A, VAL58B, VAL62A
• A-C: ALA20A, ALA20C, ALA21A, ALA21C, ALA24C, ALA25C, ALA27C, ALA29C, ALA51A, ARG30C, ARG45A, ASP37C, GLN23C, GLN57A, GLU15A, GLU16A, GLU19A, GLU19C, GLU40C, GLU43A, GLU43C, GLU50A, GLU55A, GLU61C, GLY17A, GLY17C, GLY46A, GLY49A, GLY52A, GLY63C, HIS35C, ILE22C, ILE44A, ILE44C, ILE48A, LEU10C, LEU18A, LEU18C, LEU26C, LEU33C, LEU36C, LEU60C, LYS42A, LYS42C, LYS54A, LYS7C, PHE39C, PHE64C, THR47A, TRP38C, TYR56A, VAL41A, VAL41C, VAL53A, VAL58A, VAL58C, VAL62C
• A-H: ALA20H, ALA21H, ALA24H, ALA25H, ALA27H, ALA29H, ARG28H, ARG45H, ARG65A, CB8.13262-34.01111, GLN23H, GLN57H, GLU15H, GLU16H, GLU40A, GLU43H, GLU55H, GLU61A, GLU61H, GLU67A, GLU68A, GLU9A, GLU9H, GLY12H, GLY17H, GLY2A, GLY63A, ILE22H, LEU10H, LEU26H, LEU33H, LEU60H, LEU66A, LYS31H, LYS3A, LYS3A9, LYS42A, LYS42H, LYS54H, LYS6A, LYS6H, LYS7A, LYS7H, PHE64A, PHE64H, SER14H, THR13H, THR32H, THR47H, TRP38A, TYR56H, TYR5A, VAL11H, VAL4A, VAL58H, VAL59H, VAL62A, VAL8A, VAL8H
• A-J: ARG45A, ARG45J, GLN57A, GLU43A, GLU43J, VAL59A, VAL59J
• A-L: ALA20A, ALA21A, ALA24A, ALA25A, ALA27A, ALA29A, ARG28A, ARG45A, ARG65L, GLN23A, GLN57A, GLU15A, GLU16A, GLU40L, GLU43A, GLU55A, GLU61A, GLU61L, GLU67L, GLU68L, GLU9A, GLU9L, GLY12A, GLY17A, GLY2L, GLY63L, ILE22A, LEU10A, LEU26A, LEU33A, LEU60A, LEU66L, LYS31A, LYS3L, LYS42A, LYS42L, LYS54A, LYS6A, LYS6L, LYS7A, LYS7L, PHE64A, PHE64L, SER14A, THR13A, THR32A, THR47A, TRP38L, TYR56A, TYR5L, VAL11A, VAL4L, VAL58A, VAL59A, VAL62A, VAL62L, VAL8A, VAL8L
• B-C: ALA20B, ALA20C, ALA21B, ALA21C, ALA24B, ALA25B, ALA27B, ALA29B, ALA51C, ARG30B, ARG45C, ASP37B, GLN23B, GLN57C, GLU15C, GLU16C, GLU19B, GLU19C, GLU40B, GLU43B, GLU43C, GLU50C, GLU55C, GLU61B, GLY17B, GLY17C, GLY46C, GLY49C, GLY52C, GLY63B, HIS35B, ILE22B, ILE44B, ILE44C, ILE48C, LEU10B, LEU18B, LEU18C, LEU26B, LEU33B, LEU36B, LEU60B, LYS42B, LYS42C, LYS54C, LYS7B, PHE39B, PHE64B, THR47C, TRP38B, TYR56C, VAL41B, VAL41C, VAL53C, VAL58B, VAL58C, VAL62B
• B-F: ALA20F, ALA21F, ALA24F, ALA25F, ALA27F, ALA29F, ARG28F, ARG45F, ARG65B, GLN23F, GLN57F, GLU15F, GLU16F, GLU40B, GLU43F, GLU55F, GLU61B, GLU61F, GLU67B, GLU68B, GLU9B, GLU9F, GLY12F, GLY17F, GLY2B, GLY63B, ILE22F, LEU10F, LEU26F, LEU33F, LEU60F, LEU66B, LYS31F, LYS3B, LYS42B, LYS42F, LYS54F, LYS6B, LYS6F, LYS7B, LYS7F, PHE64B, PHE64F, SER14F, THR13F, THR32F, THR47F, TRP38B, TYR56F, TYR5B, VAL11F, VAL4B, VAL58F, VAL59F, VAL62B, VAL62F, VAL8B, VAL8F
• B-G: ALA20B, ALA21B, ALA24B, ALA25B, ALA27B, ALA29B, ARG28B, ARG45B, ARG65G, GLN23B, GLN57B, GLU15B, GLU16B, GLU40G, GLU43B, GLU55B, GLU61B, GLU61G, GLU67G, GLU68G, GLU9B, GLU9G, GLY12B, GLY17B, GLY2G, GLY63G, ILE22B, LEU10B, LEU26B, LEU33B, LEU60B, LEU66G, LYS31B, LYS3G, LYS42B, LYS42G, LYS54B, LYS6B, LYS6G, LYS7B, LYS7G, PHE64B, PHE64G, SER14B, THR13B, THR32B, THR47B, TRP38G, TYR56B, TYR5G, VAL11B, VAL4G, VAL58B, VAL59B, VAL62B, VAL62G, VAL8B, VAL8G
• B-H: ARG45B, ARG45H, GLU43B, GLU43H, VAL59B, VAL59H
• C-E: ALA20C, ALA21C, ALA24C, ALA25C, ALA27C, ALA29C, ARG28C, ARG45C, ARG65E, GLN23C, GLN57C, GLU15C, GLU16C, GLU40E, GLU43C, GLU55C, GLU61C, GLU61E, GLU67E, GLU68E, GLU9C, GLU9E, GLY12C, GLY2E, GLY63E, ILE22C, LEU10C, LEU26C, LEU33C, LEU60C, LEU66E, LYS31C, LYS3E, LYS42C, LYS42E, LYS54C, LYS6C, LYS6E, LYS7C, LYS7E, PHE64C, PHE64E, SER14C, THR13C, THR32C, THR47C, TRP38E, TYR56C, TYR5E, VAL11C, VAL4E, VAL58C, VAL59C, VAL62C, VAL62E, VAL8C, VAL8E
• C-F: ARG45C, ARG45F, GLN57C, GLU43C, GLU43F, VAL59C, VAL59F
• C-J: ALA20J, ALA21J, ALA24J, ALA25J, ALA27J, ALA29J, ARG28J, ARG45J, ARG65C, GLN23J, GLN57J, GLU15J, GLU16J, GLU40C, GLU43J, GLU55J, GLU61C, GLU61J, GLU67C, GLU68C, GLU9C, GLU9J, GLY12J, GLY17J, GLY2C, GLY63C, ILE22J, LEU10J, LEU26J, LEU33J, LEU60J, LEU66C, LYS31J, LYS3C, LYS42C, LYS42J, LYS54J, LYS6C, LYS6J, LYS7C, LYS7J, PHE64C, PHE64J, SER14J, THR13J, THR32J, THR47J, TRP38C, TYR56J, TYR5C, VAL11J, VAL4C, VAL58J, VAL59J, VAL62C, VAL8C, VAL8J
• D-E: ALA20D, ALA20E, ALA21D, ALA21E, ALA24D, ALA25D, ALA27D, ALA29D, ALA51E, ARG28D, ARG30D, ARG45E, ASP37D, GLN23D, GLN57E, GLU15E, GLU16E, GLU19D, GLU19E, GLU40D, GLU43D, GLU43E, GLU50E, GLU55E, GLU61D, GLY17D, GLY17E, GLY46E, GLY49E, GLY52E, GLY63D, HIS35D, ILE22D, ILE44D, ILE44E, ILE48E, LEU10D, LEU18D, LEU18E, LEU26D, LEU33D, LEU36D, LEU60D, LYS42D, LYS42E, LYS54E, LYS7D, PHE39D, PHE64D, THR47E, TRP38D, TYR56E, VAL41D, VAL41E, VAL53E, VAL58D, VAL58E, VAL62D
• D-F: ALA20D, ALA20F, ALA21D, ALA21F, ALA24F, ALA25F, ALA27F, ALA29F, ALA51D, ARG30F, ARG45D, ASP37F, GLN23F, GLN57D, GLU15D, GLU16D, GLU19D, GLU19F, GLU40F, GLU43D, GLU43F, GLU50D, GLU55D, GLU61F, GLY17D, GLY17F, GLY46D, GLY49D, GLY52D, GLY63F, HIS35F, ILE22F, ILE44D, ILE44F, ILE48D, LEU10F, LEU18D, LEU18F, LEU26F, LEU33F, LEU36F, LEU60F, LYS42D, LYS42F, LYS54D, LYS7F, PHE39F, PHE64F, THR47D, TRP38F, TYR56D, VAL41D, VAL41F, VAL53D, VAL58D, VAL58F, VAL62F
• D-G: ARG45D, ARG45G, GLN57G, GLU43D, GLU43G, VAL59D, VAL59G
• D-I: ALA20D, ALA21D, ALA24D, ALA25D, ALA27D, ALA29D, ARG28D, ARG45D, ARG65I, GLN23D, GLN57D, GLU15D, GLU16D, GLU40I, GLU43D, GLU55D, GLU61D, GLU61I, GLU67I, GLU68I, GLU9D, GLU9I, GLY12D, GLY17D, GLY2I, GLY63I, ILE22D, LEU10D, LEU26D, LEU33D, LEU60D, LEU66I, LYS31D, LYS3I, LYS42D, LYS42I, LYS54D, LYS6D, LYS6I, LYS7D, LYS7I, PHE64D, PHE64I, SER14D, THR13D, THR32D, THR47D, TRP38I, TYR56D, TYR5I, VAL11D, VAL4I, VAL58D, VAL59D, VAL62I, VAL8D, VAL8I
• D-K: ALA20K, ALA21K, ALA24K, ALA25K, ALA27K, ALA29K, ARG28K, ARG45K, ARG65D, GLN23K, GLN57K, GLU15K, GLU16K, GLU40D, GLU43K, GLU55K, GLU61D, GLU61K, GLU67D, GLU68D, GLU9D, GLU9K, GLY12K, GLY17K, GLY2D, GLY63D, ILE22K, LEU10K, LEU26K, LEU33K, LEU60K, LEU66D, LYS31K, LYS3D, LYS42D, LYS42K, LYS54K, LYS6D, LYS6K, LYS7D, LYS7K, PHE64D, PHE64K, SER14K, THR13K, THR32K, THR47K, TRP38D, TYR56K, TYR5D, VAL11K, VAL4D, VAL58K, VAL59K, VAL62D, VAL8D, VAL8K
• E-F: ALA20E, ALA20F, ALA21E, ALA21F, ALA24E, ALA25E, ALA27E, ALA29E, ALA51F, ARG30E, ARG45F, ASP37E, GLN23E, GLN57F, GLU15F, GLU16F, GLU19E, GLU19F, GLU40E, GLU43E, GLU43F, GLU50F, GLU55F, GLU61E, GLY17E, GLY17F, GLY46F, GLY49F, GLY52F, GLY63E, HIS35E, ILE22E, ILE44E, ILE44F, ILE48F, LEU10E, LEU18E, LEU18F, LEU26E, LEU33E, LEU36E, LEU60E, LYS42E, LYS42F, LYS54F, LYS7E, PHE39E, PHE64E, THR47F, TRP38E, TYR56F, VAL41E, VAL41F, VAL53F, VAL58E, VAL58F, VAL62E
• E-J: ALA20E, ALA21E, ALA24E, ALA25E, ALA27E, ALA29E, ARG28E, ARG45E, ARG65J, GLN23E, GLN57E, GLU15E, GLU16E, GLU40J, GLU43E, GLU55E, GLU61E, GLU61J, GLU67J, GLU68J, GLU9E, GLU9J, GLY12E, GLY17E, GLY2J, GLY63J, ILE22E, LEU10E, LEU26E, LEU33E, LEU60E, LEU66J, LYS31E, LYS3J, LYS42E, LYS42J, LYS54E, LYS6E, LYS6J, LYS7E, LYS7J, PHE64E, PHE64J, SER14E, THR13E, THR32E, THR47E, TRP38J, TYR56E, TYR5J, VAL11E, VAL4J, VAL58E, VAL59E, VAL62E, VAL62J, VAL8E, VAL8J
• E-K: ARG45E, ARG45K, GLN57K, GLU43E, GLU43K, VAL59E, VAL59K
• F-G: ALA20G, ALA21G, ALA24G, ALA25G, ALA27G, ALA29G, ARG28G, ARG45G, ARG65F, GLN23G, GLN57G, GLU15G, GLU16G, GLU40F, GLU43G, GLU55G, GLU61F, GLU61G, GLU67F, GLU68F, GLU9F, GLU9G, GLY12G, GLY17G, GLY2F, GLY63F, ILE22G, LEU10G, LEU26G, LEU33G, LEU60G, LEU66F, LYS31G, LYS3F, LYS42F, LYS42G, LYS54G, LYS6F, LYS6G, LYS7F, LYS7G, PHE64F, PHE64G, SER14G, THR13G, THR32G, THR47G, TRP38F, TYR56G, TYR5F, VAL11G, VAL4F, VAL58G, VAL59G, VAL62F, VAL8F, VAL8G
• G-H: ALA20G, ALA20H, ALA21G, ALA21H, ALA24G, ALA25G, ALA27G, ALA29G, ALA51H, ARG30G, ARG45H, ASP37G, GLN23G, GLN57H, GLU15H, GLU16H, GLU19G, GLU19H, GLU40G, GLU43G, GLU43H, GLU50H, GLU55H, GLU61G, GLY17G, GLY17H, GLY46H, GLY49H, GLY52H, GLY63G, HIS35G, ILE22G, ILE44G, ILE44H, ILE48H, LEU10G, LEU18G, LEU18H, LEU26G, LEU33G, LEU36G, LEU60G, LYS42G, LYS42H, LYS54H, LYS7G, PHE39G, PHE64G, THR47H, TRP38G, TYR56H, VAL41G, VAL41H, VAL53H, VAL58G, VAL58H, VAL62G
• G-I: ALA20G, ALA20I, ALA21G, ALA21I, ALA24I, ALA25I, ALA27I, ALA29I, ALA51G, ARG30I, ARG45G, ASP37I, GLN23I, GLN57G, GLU15G, GLU16G, GLU19G, GLU19I, GLU40I, GLU43G, GLU43I, GLU50G, GLU55G, GLU61I, GLY17G, GLY17I, GLY46G, GLY49G, GLY52G, GLY63I, HIS35I, ILE22I, ILE44G, ILE44I, ILE48G, LEU10I, LEU18G, LEU18I, LEU26I, LEU33I, LEU36I, LEU60I, LYS42G, LYS42I, LYS54G, LYS7I, PHE39I, PHE64I, THR47G, TRP38I, TYR56G, VAL41G, VAL41I, VAL53G, VAL58G, VAL58I, VAL62I
• H-I: ALA20H, ALA20I, ALA21H, ALA21I, ALA24H, ALA25H, ALA27H, ALA29H, ALA51I, ARG30H, ARG45I, ASP37H, GLN23H, GLN57I, GLU15I, GLU16I, GLU19H, GLU19I, GLU40H, GLU43H, GLU43I, GLU50I, GLU55I, GLU61H, GLY17H, GLY17I, GLY46I, GLY49I, GLY52I, GLY63H, HIS35H, ILE22H, ILE44H, ILE44I, ILE48I, LEU10H, LEU18H, LEU18I, LEU26H, LEU33H, LEU36H, LEU60H, LYS42H, LYS42I, LYS54I, LYS7H, PHE39H, PHE64H, THR47I, TRP38H, TYR56I, VAL41H, VAL41I, VAL53I, VAL58H, VAL58I, VAL62H
• H-L: ALA20L, ALA21L, ALA24L, ALA25L, ALA27L, ALA29L, ARG28L, ARG45L, ARG65H, GLN23L, GLN57L, GLU15L, GLU16L, GLU40H, GLU43L, GLU55L, GLU61H, GLU61L, GLU67H, GLU68H, GLU9H, GLU9L, GLY12L, GLY17L, GLY2H, GLY63H, ILE22L, LEU10L, LEU26L, LEU33L, LEU60L, LEU66H, LYS31L, LYS3H, LYS42H, LYS42L, LYS54L, LYS6H, LYS6L, LYS7H, LYS7L, PHE64H, PHE64L, SER14L, THR13L, THR32L, THR47L, TRP38H, TYR56L, TYR5H, VAL11L, VAL4H, VAL58L, VAL59L, VAL62H, VAL62L, VAL8H, VAL8L
• I-K: ALA20I, ALA21I, ALA24I, ALA25I, ALA27I, ALA29I, ARG28I, ARG45I, ARG65K, GLN23I, GLN57I, GLU15I, GLU16I, GLU40K, GLU43I, GLU55I, GLU61I, GLU61K, GLU67K, GLU68K, GLU9I, GLU9K, GLY12I, GLY2K, GLY63K, ILE22I, LEU10I, LEU26I, LEU33I, LEU60I, LEU66K, LYS31I, LYS3K, LYS42I, LYS42K, LYS54I, LYS6I, LYS6K, LYS7I, LYS7K, PHE64I, PHE64K, SER14I, THR13I, THR32I, THR47I, TRP38K, TYR56I, TYR5K, VAL11I, VAL4K, VAL58I, VAL59I, VAL62K, VAL8I, VAL8K
• I-L: ARG45I, ARG45L, GLN57L, GLU43I, GLU43L, VAL59I, VAL59L
• J-K: ALA20J, ALA20K, ALA21J, ALA21K, ALA24J, ALA25J, ALA27J, ALA29J, ALA51K, ARG28J, ARG30J, ARG45K, ASP37J, GLN23J, GLN57K, GLU15K, GLU16K, GLU19J, GLU19K, GLU40J, GLU43J, GLU43K, GLU50K, GLU55K, GLU61J, GLY17J, GLY17K, GLY46K, GLY49K, GLY52K, GLY63J, HIS35J, ILE22J, ILE44J, ILE44K, ILE48K, LEU10J, LEU18J, LEU18K, LEU26J, LEU33J, LEU36J, LEU60J, LYS42J, LYS42K, LYS54K, LYS7J, PHE39J, PHE64J, THR47K, TRP38J, TYR56K, VAL41J, VAL41K, VAL53K, VAL58J, VAL58K, VAL62J
• J-L: ALA20J, ALA20L, ALA21J, ALA21L, ALA24L, ALA25L, ALA27L, ALA29L, ALA51J, ARG30L, ARG45J, ASP37L, GLN23L, GLN57J, GLU15J, GLU16J, GLU19J, GLU19L, GLU40L, GLU43J, GLU43L, GLU50J, GLU55J, GLU61L, GLY17J, GLY17L, GLY46J, GLY49J, GLY52J, GLY63L, HIS35L, ILE22L, ILE44J, ILE44L, ILE48J, LEU10L, LEU18J, LEU18L, LEU26L, LEU33L, LEU36L, LEU60L, LYS42J, LYS42L, LYS54J, LYS7L, PHE39L, PHE64L, THR47J, TRP38L, TYR56J, VAL41J, VAL41L, VAL53J, VAL58J, VAL58L, VAL62L
• K-L: ALA20K, ALA20L, ALA21K, ALA21L, ALA24K, ALA25K, ALA27K, ALA29K, ALA51L, ARG28K, ARG30K, ARG45L, ASP37K, GLN23K, GLN57L, GLU15L, GLU16L, GLU19K, GLU19L, GLU40K, GLU43K, GLU43L, GLU50L, GLU55L, GLU61K, GLY17K, GLY17L, GLY46L, GLY49L, GLY52L, GLY63K, HIS35K, ILE22K, ILE44K, ILE44L, ILE48L, LEU10K, LEU18K, LEU18L, LEU26K, LEU33K, LEU36K, LEU60K, LYS42K, LYS42L, LYS54L, LYS7K, PHE39K, PHE64K, THR47L, TRP38K, TYR56L, VAL41K, VAL41L, VAL53L, VAL58K, VAL58L, VAL62K