2V19

crystal structure of the t. thermophilus dodecin r45a mutant

• Total interactions analyzed: 66
• Total true interactions: 24
• Strongest Interaction:
  • Chains: A-F
  • Int. Res.: 54
  • Norm. En. per Res.: -4.2029
• 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-C	-62.7087	19.0657	-165.588	-209.231	54	6	9	6314	0	12	14
A-E	-50.0872	5.9155	-117.4	-161.5717	55	4	5	5205	3	26	27
A-F	-67.2885	4.1793	-163.849	-226.9582	54	8	9	6249	1	12	15
A-I	-61.9685	6.967	-121.642	-176.6434	58	7	6	5335	3	26	26
B-D	-55.4311	14.721	-158.104	-198.8141	53	8	9	6235	0	13	14
B-E	-67.0584	15.7815	-168.29	-219.567	55	7	9	6462	0	12	14
B-F	-69.3554	5.1887	-135.422	-199.5888	55	7	5	5445	4	26	26
B-J	-58.0368	6.1414	-136.212	-188.1074	55	6	6	5789	2	26	27
C-F	-62.1328	20.6044	-158.881	-200.4094	54	7	9	6265	0	12	14
C-G	-79.2647	3.6768	-143.578	-219.1659	58	9	6	5956	3	26	27
C-K	-65.5066	-5.5329	-138.54	-209.5795	57	8	5	5895	3	26	27
D-E	-67.0586	17.2608	-170.868	-220.6657	54	9	9	6425	0	12	14
D-H	-44.8524	6.1273	-135.408	-174.1331	55	5	6	5656	2	26	27
D-L	-39.5753	14.0793	-116.747	-142.2431	54	3	5	5107	2	26	25
E-I	-47.0329	8.9146	-137.446	-175.5643	57	8	5	5748	4	26	25
F-J	-45.8091	3.9074	-124.176	-166.0777	56	7	5	5445	3	26	26
G-I	-57.2773	17.7283	-165.384	-204.9329	54	8	9	6221	0	11	14
G-K	-68.4922	12.5194	-130.629	-186.6018	58	9	5	5590	3	26	26
G-L	-62.3879	16.5519	-170.037	-215.8731	55	10	9	6514	0	12	14
H-J	-63.0972	19.5296	-166.488	-210.0556	53	6	9	6325	0	12	14
H-K	-65.8323	16.1644	-164.229	-213.8969	55	9	9	6435	0	12	15
H-L	-75.5898	16.8694	-137.71	-196.4304	58	9	5	5729	3	26	26
I-L	-61.2309	20.3302	-161.54	-202.4407	54	8	9	6368	0	12	14
J-K	-62.2694	15.2771	-164.896	-211.8883	55	9	9	6399	0	12	15

Interface residues

• A-C: ALA20A, ALA20C, ALA21A, ALA21C, ALA24A, ALA27A, ALA29A, ALA45C, ALA51C, ARG30A, ASP37A, GLN23A, GLN57C, GLU15C, GLU16C, GLU19A, GLU19C, GLU40A, GLU43A, GLU43C, GLU50C, GLU55C, GLU61A, GLY17A, GLY17C, GLY46C, GLY49C, GLY52C, GLY63A, HIS35A, ILE22A, ILE44A, ILE44C, ILE48C, LEU10A, LEU18A, LEU18C, LEU26A, LEU36A, LEU60A, LYS42A, LYS42C, LYS54C, PHE39A, PHE64A, THR47C, TRP38A, TYR56C, VAL41A, VAL41C, VAL53C, VAL58A, VAL58C, VAL62A
• A-E: ALA20A, ALA21A, ALA24A, ALA25A, ALA27A, ALA29A, ARG28A, ARG65E, GLN23A, GLN57A, GLU15A, GLU16A, GLU40E, GLU43A, GLU55A, GLU61A, GLU61E, GLU67E, GLU68E, GLU9A, GLU9E, GLY12A, GLY2E, GLY63E, ILE22A, LEU10A, LEU26A, LEU33A, LEU60A, LEU66E, LYS31A, LYS3E, LYS42A, LYS42E, LYS54A, LYS6A, LYS6E, LYS7A, LYS7E, PHE64A, PHE64E, SER14A, THR13A, THR32A, THR47A, TRP38E, TYR56A, TYR5E, VAL11A, VAL4E, VAL58A, VAL59A, VAL62E, VAL8A, VAL8E
• A-F: ALA20A, ALA20F, ALA21A, ALA21F, ALA24F, ALA27F, ALA29F, ALA45A, ALA51A, ARG30F, ASP37F, GLN23F, GLN57A, GLU15A, GLU16A, GLU19A, GLU19F, GLU40F, GLU43A, GLU43F, GLU50A, GLU55A, GLU61F, GLY17A, GLY17F, GLY46A, GLY49A, GLY52A, GLY63F, HIS35F, ILE22F, ILE44A, ILE44F, ILE48A, LEU10F, LEU18A, LEU18F, LEU26F, LEU36F, LEU60F, LYS42A, LYS42F, LYS54A, PHE39F, PHE64F, THR47A, TRP38F, TYR56A, VAL41A, VAL41F, VAL53A, VAL58A, VAL58F, VAL62F
• A-I: ALA20I, ALA21I, ALA24I, ALA25I, ALA27I, ALA29I, ARG28I, ARG65A, CB8.61575-21.53376, GLN23I, GLN57I, GLU15I, GLU16I, GLU40A, GLU43I, GLU55I, GLU61A, GLU61I, GLU67A, GLU68A, GLU9A, GLU9I, GLY12I, GLY2A, GLY63A, ILE22I, LEU10I, LEU26I, LEU33I, LEU60I, LEU66A, LYS31I, LYS3A, LYS3A9, LYS42A, LYS42I, LYS54I, LYS6A, LYS6I, LYS7A, LYS7I, PHE64A, PHE64I, SER14I, THR13I, THR32I, THR47I, TRP38A, TYR56I, TYR5A, VAL11I, VAL4A, VAL58I, VAL59I, VAL62A, VAL62I, VAL8A, VAL8I
• B-D: ALA20B, ALA20D, ALA21D, ALA24B, ALA25B, ALA27B, ALA29B, ALA45D, ALA51D, ARG30B, ASP37B, GLN23B, GLN57D, GLU15D, GLU16D, GLU19B, GLU19D, GLU40B, GLU43B, GLU43D, GLU50D, GLU55D, GLU61B, GLY17D, GLY46D, GLY49D, GLY52D, GLY63B, HIS35B, ILE22B, ILE44B, ILE44D, ILE48D, LEU10B, LEU18B, LEU18D, LEU26B, LEU36B, LEU60B, LYS42B, LYS42D, LYS54D, PHE39B, PHE64B, THR47D, TRP38B, TYR56D, VAL41B, VAL41D, VAL53D, VAL58B, VAL58D, VAL62B
• B-E: ALA20B, ALA20E, ALA21B, ALA21E, ALA24E, ALA27E, ALA29E, ALA45B, ALA51B, ARG30E, ARG34E, ASP37E, GLN23E, GLN57B, GLU15B, GLU16B, GLU19B, GLU19E, GLU40E, GLU43B, GLU43E, GLU50B, GLU55B, GLU61E, GLY17B, GLY17E, GLY46B, GLY49B, GLY52B, GLY63E, HIS35E, ILE22E, ILE44B, ILE44E, ILE48B, LEU10E, LEU18B, LEU18E, LEU26E, LEU36E, LEU60E, LYS42B, LYS42E, LYS54B, PHE39E, PHE64E, THR47B, TRP38E, TYR56B, VAL41B, VAL41E, VAL53B, VAL58B, VAL58E, VAL62E
• B-F: ALA20B, ALA21B, ALA24B, ALA25B, ALA27B, ALA29B, ARG28B, ARG65F, GLN23B, GLN57B, GLU15B, GLU16B, GLU40F, GLU43B, GLU55B, GLU61B, GLU61F, GLU67F, GLU68F, GLU9B, GLU9F, GLY12B, GLY17B, GLY2F, GLY63F, ILE22B, LEU10B, LEU26B, LEU33B, LEU60B, LEU66F, LYS31B, LYS3F, LYS42B, LYS42F, LYS6B, LYS6F, LYS7B, LYS7F, PHE64B, PHE64F, SER14B, THR13B, THR32B, TRP38F, TYR56B, TYR5F, VAL11B, VAL4F, VAL58B, VAL59B, VAL62B, VAL62F, VAL8B, VAL8F
• B-J: ALA20J, ALA21J, ALA24J, ALA25J, ALA27J, ALA29J, ARG28J, ARG65B, GLN23J, GLN57J, GLU15J, GLU16J, GLU40B, GLU43J, GLU55J, GLU61B, GLU61J, GLU67B, GLU68B, GLU9B, GLU9J, GLY12J, GLY2B, GLY63B, ILE22J, LEU10J, LEU26J, LEU33J, LEU60J, LEU66B, LYS31J, LYS3B, LYS42B, LYS42J, LYS6B, LYS6J, LYS7B, LYS7J, PHE64B, PHE64J, SER14J, THR13J, THR32J, THR69B, TRP38B, TYR56J, TYR5B, VAL11J, VAL4B, VAL58J, VAL59J, VAL62B, VAL62J, VAL8B, VAL8J
• C-F: ALA20C, ALA20F, ALA21C, ALA21F, ALA24C, ALA27C, ALA29C, ALA45F, ALA51F, ARG30C, ASP37C, GLN23C, GLN57F, GLU15F, GLU16F, GLU19C, GLU19F, GLU40C, GLU43C, GLU43F, GLU50F, GLU55F, GLU61C, GLY17C, GLY17F, GLY46F, GLY49F, GLY52F, GLY63C, HIS35C, ILE22C, ILE44C, ILE44F, ILE48F, LEU10C, LEU18C, LEU18F, LEU26C, LEU36C, LEU60C, LYS42C, LYS42F, LYS54F, PHE39C, PHE64C, THR47F, TRP38C, TYR56F, VAL41C, VAL41F, VAL53F, VAL58C, VAL58F, VAL62C
• C-G: ALA20C, ALA21C, ALA24C, ALA25C, ALA27C, ALA29C, ARG28C, ARG30C, ARG65G, GLN23C, GLN57C, GLU15C, GLU16C, GLU40G, GLU43C, GLU55C, GLU61C, GLU61G, GLU67G, GLU68G, GLU9C, GLU9G, GLY12C, GLY2G, GLY63G, ILE22C, LEU10C, LEU26C, LEU33C, LEU60C, LEU66G, LYS31C, LYS3G, LYS42C, LYS42G, LYS54C, LYS6C, LYS6G, LYS7C, LYS7G, PHE64C, PHE64G, SER14C, THR13C, THR32C, THR47C, THR69G, TRP38G, TYR56C, TYR5G, VAL11C, VAL4G, VAL58C, VAL59C, VAL62C, VAL62G, VAL8C, VAL8G
• C-K: ALA20K, ALA21K, ALA24K, ALA25K, ALA27K, ALA29K, ARG28K, ARG65C, GLN23K, GLN57K, GLU15K, GLU16K, GLU40C, GLU43K, GLU55K, GLU61C, GLU61K, GLU67C, GLU68C, GLU9C, GLU9K, GLY12K, GLY2C, GLY63C, ILE22K, LEU10K, LEU26K, LEU33K, LEU60K, LEU66C, LYS31K, LYS3C, LYS42C, LYS42K, LYS54K, LYS6C, LYS6K, LYS7C, LYS7K, PHE64C, PHE64K, SER14K, THR13K, THR32K, THR47K, THR69C, TRP38C, TYR56K, TYR5C, VAL11K, VAL4C, VAL58K, VAL59K, VAL62C, VAL62K, VAL8C, VAL8K
• D-E: ALA20D, ALA20E, ALA21D, ALA21E, ALA24D, ALA27D, ALA29D, ALA45E, ALA51E, ARG30D, 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, LEU36D, LEU60D, LYS42D, LYS42E, LYS54E, PHE39D, PHE64D, THR47E, TRP38D, TYR56E, VAL41D, VAL41E, VAL53E, VAL58D, VAL58E, VAL62D
• D-H: ALA20D, ALA21D, ALA24D, ALA25D, ALA27D, ALA29D, ARG28D, ARG65H, GLN23D, GLN57D, GLU15D, GLU16D, GLU40H, GLU43D, GLU55D, GLU61D, GLU61H, GLU67H, GLU68H, GLU9D, GLU9H, GLY12D, GLY2H, GLY63H, ILE22D, LEU10D, LEU26D, LEU33D, LEU60D, LEU66H, LYS31D, LYS3H, LYS42D, LYS42H, LYS54D, LYS6D, LYS6H, LYS7D, LYS7H, PHE64D, PHE64H, SER14D, THR13D, THR32D, TRP38H, TYR56D, TYR5H, VAL11D, VAL4H, VAL58D, VAL59D, VAL62D, VAL62H, VAL8D, VAL8H
• D-L: ALA20L, ALA21L, ALA24L, ALA25L, ALA27L, ALA29L, ARG28L, ARG65D, GLN23L, GLN57L, GLU15L, GLU16L, GLU40D, GLU43L, GLU55L, GLU61D, GLU61L, GLU67D, GLU68D, GLU9D, GLU9L, GLY12L, GLY2D, GLY63D, ILE22L, LEU10L, LEU26L, LEU33L, LEU60L, LEU66D, LYS31L, LYS3D, LYS42D, LYS42L, LYS6D, LYS6L, LYS7D, LYS7L, PHE64D, PHE64L, SER14L, THR13L, THR32L, THR47L, TRP38D, TYR56L, TYR5D, VAL11L, VAL4D, VAL58L, VAL59L, VAL62D, VAL8D, VAL8L
• E-I: ALA20E, ALA21E, ALA24E, ALA25E, ALA27E, ALA29E, ARG28E, ARG65I, GLN23E, GLN57E, GLU15E, GLU16E, GLU40I, GLU43E, GLU55E, GLU61E, GLU61I, GLU67I, GLU68I, GLU9E, GLU9I, GLY12E, GLY2I, GLY63I, ILE22E, LEU10E, LEU26E, LEU33E, LEU60E, LEU66I, LYS31E, LYS3I, LYS42E, LYS42I, LYS54E, LYS6E, LYS6I, LYS7E, LYS7I, PHE64E, PHE64I, SER14E, THR13E, THR32E, THR47E, THR69I, TRP38I, TYR56E, TYR5I, VAL11E, VAL4I, VAL58E, VAL59E, VAL62E, VAL62I, VAL8E, VAL8I
• F-J: ALA20F, ALA21F, ALA24F, ALA25F, ALA27F, ALA29F, ARG28F, ARG65J, GLN23F, GLN57F, GLU15F, GLU16F, GLU40J, GLU43F, GLU55F, GLU61F, GLU61J, GLU67J, GLU68J, GLU9F, GLU9J, GLY12F, GLY2J, GLY63J, ILE22F, LEU10F, LEU26F, LEU33F, LEU60F, LEU66J, LYS31F, LYS3J, LYS42F, LYS42J, LYS54F, LYS6F, LYS6J, LYS7F, LYS7J, PHE64F, PHE64J, SER14F, THR13F, THR32F, THR47F, TRP38J, TYR56F, TYR5J, VAL11F, VAL4J, VAL58F, VAL59F, VAL62F, VAL62J, VAL8F, VAL8J
• G-I: ALA20G, ALA20I, ALA21G, ALA21I, ALA24G, ALA27G, ALA29G, ALA45I, ALA51I, ARG30G, ASP37G, GLN23G, GLN57I, GLU15I, GLU16I, GLU19G, GLU19I, GLU40G, GLU43G, GLU43I, GLU50I, GLU55I, GLU61G, GLY17G, GLY17I, GLY46I, GLY49I, GLY52I, GLY63G, HIS35G, ILE22G, ILE44G, ILE44I, ILE48I, LEU10G, LEU18G, LEU18I, LEU26G, LEU36G, LEU60G, LYS42G, LYS42I, LYS54I, PHE39G, PHE64G, THR47I, TRP38G, TYR56I, VAL41G, VAL41I, VAL53I, VAL58G, VAL58I, VAL62G
• G-K: ALA20G, ALA21G, ALA24G, ALA25G, ALA27G, ALA29G, ARG28G, ARG65K, GLN23G, GLN57G, GLU15G, GLU16G, GLU40K, GLU43G, GLU55G, GLU61G, GLU61K, GLU67K, GLU68K, GLU9G, GLU9K, GLY12G, GLY17G, GLY2K, GLY63K, ILE22G, LEU10G, LEU26G, LEU33G, LEU60G, LEU66K, LYS31G, LYS3K, LYS42G, LYS42K, LYS54G, LYS6G, LYS6K, LYS7G, LYS7K, PHE64G, PHE64K, SER14G, THR13G, THR32G, THR47G, THR69K, TRP38K, TYR56G, TYR5K, VAL11G, VAL4K, VAL58G, VAL59G, VAL62G, VAL62K, VAL8G, VAL8K
• G-L: ALA20G, ALA20L, ALA21G, ALA21L, ALA24L, ALA25L, ALA27L, ALA29L, ALA45G, ALA51G, ARG30L, ASP37L, GLN23L, GLN57G, GLU15G, GLU16G, GLU19G, GLU19L, GLU40L, GLU43G, GLU43L, GLU50G, GLU55G, GLU61L, GLY17G, GLY17L, GLY46G, GLY49G, GLY52G, GLY63L, HIS35L, ILE22L, ILE44G, ILE44L, ILE48G, LEU10L, LEU18G, LEU18L, LEU26L, LEU36L, LEU60L, LYS42G, LYS42L, LYS54G, PHE39L, PHE64L, THR47G, TRP38L, TYR56G, VAL41G, VAL41L, VAL53G, VAL58G, VAL58L, VAL62L
• H-J: ALA20H, ALA20J, ALA21J, ALA24H, ALA27H, ALA29H, ALA45J, ALA51J, ARG30H, ASP37H, GLN23H, GLN57J, GLU15J, GLU16J, GLU19H, GLU19J, GLU40H, GLU43H, GLU43J, GLU50J, GLU55J, GLU61H, GLY17H, GLY17J, GLY46J, GLY49J, GLY52J, GLY63H, HIS35H, ILE22H, ILE44H, ILE44J, ILE48J, LEU10H, LEU18H, LEU18J, LEU26H, LEU36H, LEU60H, LYS42H, LYS42J, LYS54J, PHE39H, PHE64H, THR47J, TRP38H, TYR56J, VAL41H, VAL41J, VAL53J, VAL58H, VAL58J, VAL62H
• H-K: ALA20H, ALA20K, ALA21H, ALA21K, ALA24K, ALA27K, ALA29K, ALA45H, ALA51H, ARG30K, ASP37K, GLN23K, GLN57H, GLU15H, GLU16H, GLU19H, GLU19K, GLU40K, GLU43H, GLU43K, GLU50H, GLU55H, GLU61K, GLY17H, GLY17K, GLY46H, GLY49H, GLY52H, GLY63K, HIS35K, ILE22K, ILE44H, ILE44K, ILE48H, LEU10K, LEU18H, LEU18K, LEU26K, LEU33K, LEU36K, LEU60K, LYS42H, LYS42K, LYS54H, PHE39K, PHE64K, THR47H, TRP38K, TYR56H, VAL41H, VAL41K, VAL53H, VAL58H, VAL58K, VAL62K
• H-L: ALA20H, ALA21H, ALA24H, ALA25H, ALA27H, ALA29H, ARG28H, ARG65L, GLN23H, GLN57H, GLU15H, GLU16H, GLU40L, GLU43H, GLU55H, GLU61H, GLU61L, GLU67L, GLU68L, GLU9H, GLU9L, GLY12H, GLY17H, GLY2L, GLY63L, ILE22H, LEU10H, LEU26H, LEU33H, LEU60H, LEU66L, LYS31H, LYS3L, LYS42H, LYS42L, LYS54H, LYS6H, LYS6L, LYS7H, LYS7L, PHE64H, PHE64L, SER14H, THR13H, THR32H, THR47H, THR69L, TRP38L, TYR56H, TYR5L, VAL11H, VAL4L, VAL58H, VAL59H, VAL62H, VAL62L, VAL8H, VAL8L
• I-L: ALA20I, ALA20L, ALA21L, ALA24I, ALA25I, ALA27I, ALA29I, ALA45L, ALA51L, ARG30I, ASP37I, GLN23I, GLN57L, GLU15L, GLU16L, GLU19I, GLU19L, GLU40I, GLU43I, GLU43L, GLU50L, GLU55L, GLU61I, GLY17I, GLY17L, GLY46L, GLY49L, GLY52L, GLY63I, HIS35I, ILE22I, ILE44I, ILE44L, ILE48L, LEU10I, LEU18I, LEU18L, LEU26I, LEU36I, LEU60I, LYS42I, LYS42L, LYS54L, PHE39I, PHE64I, THR47L, TRP38I, TYR56L, VAL41I, VAL41L, VAL53L, VAL58I, VAL58L, VAL62I
• J-K: ALA20J, ALA20K, ALA21K, ALA24J, ALA25J, ALA27J, ALA29J, ALA45K, ALA51K, ARG30J, ARG34J, 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, LEU36J, LEU60J, LYS42J, LYS42K, LYS54K, PHE39J, PHE64J, THR47K, TRP38J, TYR56K, VAL41J, VAL41K, VAL53K, VAL58J, VAL58K, VAL62J