1S0Y

the structure of trans-3-chloroacrylic acid dehalogenase, covalently inactivated by the mechanism-based inhibitor 3- bromopropiolate at 2.3 angstrom resolution

• Total interactions analyzed: 66
• Total true interactions: 37
• Strongest Interaction:
  • Chains: G-K
  • Int. Res.: 55
  • Norm. En. per Res.: -4.5151
• Hub Node: A(7)

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	-14.2352	0.0	-4.673	-18.9082	9	1	0	247	0	3	2
A-C	-53.6504	2.1526	-148.406	-199.9037	54	11	2	5812	2	21	21
A-D	-64.8149	-0.8211	-262.995	-328.631	96	17	10	12032	0	20	18
A-E	-77.9267	-1.6115	-157.217	-236.7552	54	10	2	6016	2	20	21
A-F	0.0	0.0	-30.4484	-30.4484	22	1	2	1463	0	2	3
A-H	0.0	4.5794	-17.4449	-12.8655	28	0	0	1011	0	15	14
A-K	-5.7717	12.3884	-10.0244	-3.4076	13	3	0	356	0	6	5
B-C	0.0	0.0	-27.8245	-27.8245	24	3	2	1470	0	2	2
B-D	-46.1319	-12.9537	-114.406	-173.4917	45	6	1	4575	0	10	10
B-E	-80.5005	-7.1896	-258.728	-346.4181	94	15	10	11819	0	19	17
B-F	-61.8409	-10.367	-131.765	-203.9729	49	9	2	5641	0	10	15
C-D	0.0	0.0	-1.9777	-1.9777	6	1	0	234	0	3	2
C-E	-58.3859	-3.2293	-158.458	-220.0732	53	12	3	5976	2	21	21
C-F	-70.3625	-8.994	-255.837	-335.1936	96	15	11	11839	0	20	18
C-G	0.0	-3.0998	-0.3504	-3.4503	8	0	0	93	0	4	7
C-H	0.0	0.0	-0.4046	-0.4046	5	0	0	51	0	3	5
C-K	-7.0323	-5.4062	-57.4091	-69.8476	36	2	1	2086	2	15	19
D-E	0.0	0.0	-37.9951	-37.9951	25	1	2	1500	0	2	3
D-F	-59.4451	-10.0704	-122.891	-192.4065	48	7	2	5092	0	11	10
E-F	0.0	0.0	-4.8293	-4.8293	10	0	0	257	0	3	2
E-H	0.0	0.0	-0.4097	-0.4097	11	0	0	55	0	3	1
E-K	0.0	10.6178	-29.3598	-18.742	20	2	0	1089	0	8	5
G-H	-13.4443	0.0	-4.3771	-17.8214	9	1	0	222	0	3	2
G-I	-64.2992	0.1986	-167.753	-231.8536	52	12	2	6315	2	21	21
G-J	-66.6918	2.501	-242.793	-306.9839	94	14	10	11402	0	20	18
G-K	-74.6082	-6.0497	-167.675	-248.333	55	13	2	6282	1	19	21
G-L	0.0	0.0	-28.4192	-28.4192	22	2	2	1487	0	2	2
H-I	0.0	0.0	-35.5223	-35.5223	24	3	2	1475	0	2	2
H-J	-61.5206	-12.8659	-125.652	-200.0386	51	10	2	5447	0	10	12
H-K	-74.9214	-6.7757	-256.427	-338.1241	93	13	11	11808	0	19	17
H-L	-61.2018	-10.835	-119.963	-191.9997	45	11	1	4829	0	9	11
I-J	0.0	0.0	-1.2643	-1.2643	9	0	0	185	0	3	2
I-K	-57.9296	-4.2036	-148.776	-210.9092	53	11	2	5817	2	21	22
I-L	-70.7953	2.4106	-228.012	-296.3967	94	22	10	11439	0	19	17
J-K	0.0	0.0	-33.6581	-33.6581	23	3	2	1465	0	2	3
J-L	-51.4309	-8.4148	-106.002	-165.8478	44	5	1	4395	0	9	9
K-L	-5.3603	0.0	-3.7298	-9.0901	8	0	0	211	0	3	2

Interface residues

• A-B: ARG44A, ARG56B, GLU53A, GLU5B, GLY55B, HIS54A, HIS7B, ILE53B, SER54B
• A-C: ALA19A, ALA22A, ARG12A, ARG18A, ARG36A, ARG44A, ARG44C, ARG9C, ASN38A, ASN50C, ASP14A, ASP7A, ASP7C, CYS6A, CYS6C, GLN16A, GLU15A, GLU37A, GLU45A, GLU45C, GLU53C, GLU56C, GLY23A, GLY46A, GLY46C, GLY48C, GLY55C, HIS54C, HIS57C, ILE39A, ILE43A, ILE49C, ILE4A, LEU20A, LEU24A, LEU25A, LEU58C, LYS17A, MET8A, MET8C, PHE40A, PHE41A, PHE51C, PRO35A, PRO59C, SER21A, SER47C, SER5A, SER5C, THR13A, TYR10A, TYR10C, VAL42A, VAL52C
• A-D: ALA19A, ALA22A, ALA31A, ALA9D, ARG12A, ARG16D, ARG18A, ARG22D, ARG26A, ARG36A, ARG44A, ARG56D, ARG9A, ASN29D, ASN38A, ASN40D, ASN50D, ASP23D, ASP26D, ASP35D, ASP7A, CYS6A, CYS6D, GLN16A, GLN19D, GLU15A, GLU30A, GLU34A, GLU37A, GLU45D, GLU48D, GLU53A, GLU5D, GLY23A, GLY33A, GLY33D, GLY55D, HIS46D, HIS54A, HIS7D, ILE21D, ILE25D, ILE28A, ILE32D, ILE38D, ILE39A, ILE39D, ILE43A, ILE4A, ILE4D, ILE53D, ILE8D, LEU12D, LEU20A, LEU20D, LEU24A, LEU25A, LEU42D, LEU43D, LEU58A, LYS17A, LYS17D, LYS30D, LYS37D, MET3A, MET51D, MET8A, PHE3D, PHE40A, PHE41A, PHE51A, PRO2A, PRO2D, PRO35A, PRO36D, PRO59A, SER13D, SER21A, SER29A, SER31D, SER34D, SER52D, SER54D, SER5A, THR10D, THR13A, THR28D, THR32A, TYR61A, VAL24D, VAL27A, VAL27D, VAL41D, VAL42A, VAL44D, VAL52A
• A-E: ALA19E, ALA22E, ARG12E, ARG18E, ARG36E, ARG44A, ARG44E, ARG9A, ASN38E, ASN50A, ASP14E, ASP7A, ASP7E, CYS6A, CYS6E, GLN16E, GLU15E, GLU37E, GLU45A, GLU45E, GLU53A, GLU56A, GLY23E, GLY46A, GLY46E, GLY48A, GLY55A, HIS54A, HIS57A, ILE39E, ILE43E, ILE49A, ILE4E, LEU20E, LEU24E, LEU25E, LEU58A, LYS17E, MET8A, MET8E, PHE40E, PHE41E, PHE51A, PRO35E, PRO59A, SER21E, SER47A, SER5A, SER5E, THR13E, TYR10A, TYR10E, VAL42E, VAL52A
• A-F: ARG44A, ASN38A, ASN40F, GLU5F, HIS7F, ILE21F, ILE38F, ILE39A, ILE39F, ILE4A, ILE4F, LEU42F, LEU43F, MET3A, PHE3F, PHE40A, PHE41A, PRO2A, PRO2F, SER5A, VAL41F, VAL42A
• A-H: ALA15H, ARG12A, ARG16H, ARG22H, ARG9A, ASN50A, ASP14A, ASP23H, ASP26H, ASP60A, GLN18H, GLN19H, GLU45A, GLY11A, GLY46A, GLY48A, ILE49A, LEU12H, LYS17H, LYS30H, PRO59A, PRO63A, SER13H, SER47A, THR13A, TYR10A, TYR61A, VAL62A
• A-K: ALA31K, ARG26K, ASP14A, GLU30K, GLU45A, GLY11A, GLY33K, GLY46A, LYS17A, SER29K, SER47A, TYR10A, VAL27K
• B-C: ARG44C, ASN38C, ASN40B, CYS6B, GLU37C, GLU5B, HIS7B, ILE21B, ILE38B, ILE39B, ILE39C, ILE4B, ILE4C, LEU42B, LEU43B, MET3C, PHE3B, PHE40C, PHE41C, PRO2B, PRO2C, SER5C, VAL41B, VAL42C
• B-D: ALA47B, ALA49B, ARG22D, ARG56B, ASN40D, ASN50B, ASP26D, ASP35D, CYS6B, CYS6D, GLN18D, GLU45B, GLU45D, GLU48B, GLU5B, GLU5D, GLY55B, HIS46B, HIS46D, HIS7B, HIS7D, ILE21D, ILE25D, ILE38D, ILE39D, ILE4D, ILE53B, ILE8B, ILE8D, LEU42D, LEU43D, LYS17D, LYS37D, MET51B, PHE3D, PRO2D, PRO36D, SER52B, SER54B, THR10D, VAL14D, VAL24D, VAL41D, VAL44B, VAL44D
• B-E: ALA19E, ALA22E, ALA31E, ALA9B, ARG12E, ARG16B, ARG18E, ARG22B, ARG26E, ARG36E, ARG44E, ARG56B, ARG9E, ASN29B, ASN38E, ASN40B, ASN50B, ASP23B, ASP26B, ASP35B, ASP7E, CYS6B, CYS6E, GLN16E, GLN19B, GLU15E, GLU30E, GLU34E, GLU37E, GLU48B, GLU53E, GLU5B, GLY23E, GLY33B, GLY33E, GLY55B, HIS46B, HIS54E, HIS7B, ILE21B, ILE25B, ILE28E, ILE32B, ILE38B, ILE39B, ILE39E, ILE43E, ILE4B, ILE4E, ILE53B, ILE8B, LEU12B, LEU20B, LEU20E, LEU24E, LEU25E, LEU42B, LEU43B, LEU58E, LYS17B, LYS17E, LYS30B, LYS37B, MET3E, MET51B, MET8E, PHE3B, PHE40E, PHE41E, PHE51E, PRO2B, PRO2E, PRO35E, PRO36B, SER13B, SER21E, SER29E, SER31B, SER34B, SER52B, SER54B, SER5E, THR10B, THR13E, THR28B, THR32E, TYR61E, VAL24B, VAL27B, VAL27E, VAL41B, VAL42E, VAL44B, VAL52E
• B-F: ALA15B, ALA47F, ALA49F, ARG22B, ARG56F, ASN40B, ASN50F, ASP23B, ASP26B, ASP35B, CYS6B, CYS6F, GLN18B, GLN19B, GLU45B, GLU45F, GLU48F, GLU5B, GLU5F, GLY55F, HIS46B, HIS46F, HIS58F, HIS7B, HIS7F, ILE21B, ILE25B, ILE38B, ILE39B, ILE4B, ILE53F, ILE57F, ILE8B, ILE8F, LEU42B, LEU43B, LYS17B, LYS37B, MET51F, PHE3B, PRO2B, PRO36B, SER52F, SER54F, VAL14B, VAL24B, VAL41B, VAL44B, VAL44F
• C-D: ARG56D, GLU53C, GLY55D, HIS54C, ILE53D, SER54D
• C-E: ALA19C, ALA22C, ARG12C, ARG18C, ARG36C, ARG44C, ARG44E, ARG9E, ASN38C, ASN50E, ASP14C, ASP60E, ASP7C, ASP7E, CYS6C, CYS6E, GLN16C, GLU15C, GLU37C, GLU45C, GLU45E, GLU53E, GLU56E, GLY23C, GLY46E, GLY48E, GLY55E, HIS54E, HIS57E, ILE39C, ILE43C, ILE49E, ILE4C, LEU20C, LEU24C, LEU25C, LEU58E, LYS17C, MET8C, MET8E, PHE40C, PHE41C, PHE51E, PRO35C, PRO59E, SER21C, SER47E, SER5C, SER5E, THR13C, TYR10C, VAL42C, VAL52E
• C-F: ALA19C, ALA22C, ALA31C, ALA9F, ARG12C, ARG16F, ARG18C, ARG22F, ARG26C, ARG36C, ARG44C, ARG56F, ARG9C, ASN29F, ASN38C, ASN40F, ASN50F, ASP23F, ASP26F, ASP35F, ASP7C, CYS6C, CYS6F, GLN16C, GLN19F, GLU15C, GLU30C, GLU34C, GLU37C, GLU48F, GLU53C, GLU56C, GLU5F, GLY23C, GLY33C, GLY33F, GLY55F, HIS46F, HIS54C, HIS7F, ILE21F, ILE25F, ILE28C, ILE32F, ILE38F, ILE39C, ILE39F, ILE43C, ILE4C, ILE4F, ILE53F, ILE8F, LEU12F, LEU20C, LEU20F, LEU24C, LEU25C, LEU42F, LEU43F, LEU58C, LYS17C, LYS17F, LYS30F, LYS37F, MET3C, MET51F, MET8C, PHE3F, PHE40C, PHE41C, PHE51C, PRO2C, PRO2F, PRO35C, PRO36F, PRO59C, SER13F, SER21C, SER29C, SER31F, SER34F, SER52F, SER54F, SER5C, THR10F, THR13C, THR28F, THR32C, TYR61C, VAL24F, VAL27C, VAL27F, VAL41F, VAL42C, VAL44F, VAL52C
• C-G: ARG12C, ASP14C, GLU56G, GLY11C, GLY55G, HIS54G, THR13C, TYR10C
• C-H: ASP60C, LYS30H, SER31H, SER47C, VAL27H
• C-K: ALA19K, ALA22K, ARG12C, ARG18C, ARG18K, ARG26K, ARG36K, ARG9C, ASN38K, ASN50C, ASP14C, ASP60C, GLU15C, GLU30K, GLU34K, GLU37K, GLU45C, GLY11C, GLY23K, GLY46C, GLY48C, ILE28K, ILE39K, ILE49C, LEU24K, LEU25K, LYS17C, PHE51C, PRO35K, SER21K, SER29K, SER47C, THR13C, TYR10C, TYR61C, VAL27K
• D-E: ARG44E, ASN38E, ASN40D, GLU37E, GLU5D, HIS7D, ILE21D, ILE25D, ILE38D, ILE39D, ILE39E, ILE4D, ILE4E, LEU42D, LEU43D, LYS37D, MET3E, PHE3D, PHE40E, PHE41E, PRO2D, PRO2E, SER5E, VAL41D, VAL42E
• D-F: ALA15F, ALA47D, ALA49D, ARG22F, ARG56D, ASN40F, ASN50D, ASP23F, ASP26F, ASP35F, CYS6D, CYS6F, GLN18F, GLN19F, GLU45D, GLU45F, GLU48D, GLU5D, GLU5F, GLY55D, HIS46D, HIS46F, HIS7D, HIS7F, ILE21F, ILE25F, ILE38F, ILE39F, ILE4F, ILE53D, ILE57D, ILE8D, ILE8F, LEU42F, LEU43F, LYS17F, LYS37F, MET51D, PHE3F, PRO2F, PRO36F, SER52D, SER54D, VAL14F, VAL24F, VAL41F, VAL44D, VAL44F
• E-F: ARG44E, ARG56F, GLU53E, GLU5F, GLY55F, HIS54E, HIS7F, ILE53F, PHE3F, SER54F
• E-H: ALA9H, ARG16H, ARG56H, ASP14E, ASP60E, GLU48H, GLY11H, LEU12H, SER13H, TYR10E, VAL62E
• E-K: ALA31K, ARG36K, ASN38K, ASN50E, ASP60E, GLU30K, GLU34K, GLU37K, GLU45E, GLY11E, GLY33K, GLY46E, GLY48E, ILE49E, PRO35K, SER29K, SER47E, THR32K, TYR10E, TYR61E
• G-H: ARG44G, ARG56H, GLU53G, GLU5H, GLY55H, HIS54G, HIS7H, ILE53H, SER54H
• G-I: ALA19G, ALA22G, ARG12G, ARG18G, ARG36G, ARG44G, ARG44I, ARG9I, ASN38G, ASN50I, ASP14G, ASP7G, ASP7I, CYS6G, CYS6I, GLN16G, GLU15G, GLU37G, GLU45G, GLU45I, GLU53I, GLU56I, GLY23G, GLY46G, GLY46I, GLY48I, GLY55I, HIS54I, HIS57I, ILE39G, ILE43G, ILE49I, ILE4G, LEU20G, LEU25G, LEU58I, LYS17G, MET8G, MET8I, PHE40G, PHE41G, PHE51I, PRO35G, PRO59I, SER21G, SER47I, SER5G, SER5I, THR13G, TYR10G, VAL42G, VAL52I
• G-J: ALA19G, ALA22G, ALA31G, ALA9J, ARG12G, ARG16J, ARG18G, ARG22J, ARG26G, ARG36G, ARG44G, ARG56J, ARG9G, ASN29J, ASN38G, ASN40J, ASN50J, ASP23J, ASP26J, ASP35J, ASP7G, CYS6G, CYS6J, GLN16G, GLN19J, GLU15G, GLU30G, GLU34G, GLU37G, GLU48J, GLU53G, GLU56G, GLU5J, GLY23G, GLY33J, GLY55J, HIS46J, HIS54G, HIS7J, ILE21J, ILE25J, ILE28G, ILE32J, ILE38J, ILE39G, ILE39J, ILE43G, ILE4G, ILE4J, ILE53J, ILE8J, LEU12J, LEU20G, LEU20J, LEU24G, LEU25G, LEU42J, LEU43J, LEU58G, LYS17G, LYS17J, LYS30J, LYS37J, MET3G, MET51J, MET8G, PHE3J, PHE40G, PHE41G, PHE51G, PRO2G, PRO2J, PRO35G, PRO36J, PRO59G, SER21G, SER29G, SER31J, SER34J, SER52J, SER54J, SER5G, THR10J, THR13G, THR28J, THR32G, TYR61G, VAL24J, VAL27G, VAL27J, VAL41J, VAL42G, VAL44J, VAL52G
• G-K: ALA19K, ALA22K, ARG12K, ARG18K, ARG36K, ARG44G, ARG44K, ARG9G, ASN38K, ASN50G, ASP14K, ASP7G, ASP7K, CYS6G, CYS6K, GLN16K, GLU15K, GLU37K, GLU45G, GLU45K, GLU53G, GLU56G, GLY11K, GLY23K, GLY46G, GLY46K, GLY48G, GLY55G, HIS54G, HIS57G, ILE39K, ILE43K, ILE49G, ILE4K, LEU20K, LEU24K, LEU25K, LEU58G, LYS17K, MET3K, MET8G, MET8K, PHE40K, PHE41K, PHE51G, PRO35K, PRO59G, SER21K, SER47G, SER5G, SER5K, THR13K, TYR10K, VAL42K, VAL52G
• G-L: ARG44G, ASN40L, GLU5L, HIS7L, ILE21L, ILE38L, ILE39G, ILE39L, ILE4G, ILE4L, LEU42L, LEU43L, LYS37L, MET3G, PHE3L, PHE40G, PHE41G, PRO2G, PRO2L, SER5G, VAL41L, VAL42G
• H-I: ARG44I, ASN38I, ASN40H, CYS6H, GLU37I, GLU5H, HIS7H, ILE21H, ILE38H, ILE39H, ILE39I, ILE4H, ILE4I, LEU42H, LEU43H, MET3I, PHE3H, PHE40I, PHE41I, PRO2H, PRO2I, SER5I, VAL41H, VAL42I
• H-J: ALA15J, ALA47H, ALA49H, ARG22J, ARG56H, ASN40J, ASN50H, ASP23J, ASP26J, ASP35J, CYS6H, CYS6J, GLN18J, GLN19J, GLU45H, GLU45J, GLU48H, GLU5H, GLU5J, GLY55H, HIS46H, HIS46J, HIS7H, HIS7J, ILE21J, ILE25J, ILE38J, ILE39J, ILE4J, ILE53H, ILE57H, ILE8H, ILE8J, LEU12J, LEU20J, LEU42J, LEU43J, LYS17J, LYS37J, MET51H, PHE3J, PRO2J, PRO36J, SER13J, SER52H, SER54H, VAL14J, VAL24J, VAL41J, VAL44H, VAL44J
• H-K: ALA19K, ALA22K, ALA31K, ALA9H, ARG12K, ARG16H, ARG18K, ARG22H, ARG26K, ARG36K, ARG44K, ARG56H, ARG9K, ASN29H, ASN38K, ASN40H, ASN50H, ASP23H, ASP26H, ASP35H, ASP7K, CYS6H, CYS6K, GLN16K, GLN19H, GLU15K, GLU30K, GLU34K, GLU37K, GLU48H, GLU53K, GLU5H, GLY23K, GLY33H, GLY33K, GLY55H, HIS46H, HIS54K, HIS7H, ILE21H, ILE25H, ILE28K, ILE32H, ILE38H, ILE39H, ILE39K, ILE43K, ILE4H, ILE4K, ILE53H, ILE8H, LEU12H, LEU20H, LEU20K, LEU24K, LEU25K, LEU42H, LEU43H, LEU58K, LYS17H, LYS17K, LYS30H, LYS37H, MET3K, MET51H, MET8K, PHE3H, PHE40K, PHE41K, PHE51K, PRO2H, PRO2K, PRO35K, PRO36H, PRO59K, SER21K, SER29K, SER31H, SER34H, SER52H, SER54H, SER5K, THR13K, THR28H, THR32K, TYR61K, VAL24H, VAL27H, VAL27K, VAL41H, VAL42K, VAL44H, VAL52K
• H-L: ALA15H, ALA47L, ALA49L, ALA9L, ARG22H, ARG56L, ASN40H, ASN50L, ASP26H, ASP35H, CYS6H, GLN18H, GLU45H, GLU45L, GLU48L, GLU5H, GLU5L, GLY55L, HIS46H, HIS46L, HIS7H, HIS7L, ILE21H, ILE25H, ILE38H, ILE39H, ILE4H, ILE53L, ILE8H, ILE8L, LEU42H, LEU43H, LYS17H, LYS37H, MET51L, PHE3H, PRO2H, PRO36H, SER52L, SER54L, VAL14H, VAL24H, VAL41H, VAL44H, VAL44L
• I-J: ARG44I, ARG56J, GLU53I, GLU5J, HIS54I, HIS7J, ILE53J, SER54J, VAL52I
• I-K: ALA19I, ALA22I, ARG12I, ARG18I, ARG36I, ARG44I, ARG44K, ARG9K, ASN38I, ASN50K, ASP14I, ASP7I, ASP7K, CYS6I, CYS6K, GLN16I, GLU15I, GLU37I, GLU45I, GLU45K, GLU53K, GLU56K, GLY23I, GLY46I, GLY46K, GLY48K, GLY55K, HIS54K, HIS57K, ILE39I, ILE43I, ILE49K, ILE4I, LEU20I, LEU24I, LEU25I, LEU58K, LYS17I, MET8I, MET8K, PHE40I, PHE41I, PHE51K, PRO35I, PRO59K, SER21I, SER47K, SER5I, SER5K, THR13I, TYR10I, VAL42I, VAL52K
• I-L: ALA19I, ALA22I, ALA31I, ALA9L, ARG12I, ARG16L, ARG18I, ARG22L, ARG26I, ARG36I, ARG44I, ARG56L, ARG9I, ASN29L, ASN38I, ASN40L, ASN50L, ASP23L, ASP26L, ASP35L, ASP7I, CYS6I, CYS6L, GLN16I, GLN19L, GLU15I, GLU30I, GLU34I, GLU37I, GLU45L, GLU48L, GLU53I, GLU5L, GLY23I, GLY33I, GLY33L, GLY55L, HIS46L, HIS54I, HIS7L, ILE21L, ILE25L, ILE28I, ILE32L, ILE38L, ILE39I, ILE39L, ILE43I, ILE4I, ILE4L, ILE53L, ILE8L, LEU12L, LEU20I, LEU20L, LEU24I, LEU25I, LEU42L, LEU43L, LEU58I, LYS17I, LYS17L, LYS30L, LYS37L, MET3I, MET51L, MET8I, PHE3L, PHE40I, PHE41I, PHE51I, PRO2I, PRO2L, PRO35I, PRO59I, SER13L, SER21I, SER29I, SER31L, SER34L, SER52L, SER54L, SER5I, THR13I, THR28L, THR32I, TYR61I, VAL24L, VAL27I, VAL27L, VAL41L, VAL42I, VAL44L, VAL52I
• J-K: ARG44K, ASN38K, ASN40J, GLU37K, GLU5J, HIS7J, ILE38J, ILE39J, ILE39K, ILE4J, ILE4K, LEU42J, LEU43J, LYS37J, MET3K, PHE3J, PHE40K, PHE41K, PRO2J, PRO2K, SER5K, VAL41J, VAL42K
• J-L: ALA15L, ALA47J, ALA49J, ARG22L, ARG56J, ASN40L, ASN50J, ASP35L, CYS6J, CYS6L, GLN18L, GLU45J, GLU45L, GLU48J, GLU5J, GLU5L, GLY55J, HIS46J, HIS46L, HIS7J, HIS7L, ILE21L, ILE25L, ILE38L, ILE39L, ILE4L, ILE53J, ILE8J, ILE8L, LEU42L, LEU43L, LYS17L, LYS37L, MET51J, PHE3L, PRO2L, PRO36L, SER52J, SER54J, VAL14L, VAL24L, VAL41L, VAL44J, VAL44L
• K-L: ARG44K, ARG56L, GLU53K, GLU5L, GLY55L, HIS54K, ILE53L, SER54L