2Z0R

crystal structure of hypothetical protein ttha0547

• Total interactions analyzed: 66
• Total true interactions: 27
• Strongest Interaction:
  • Chains: H-L
  • Int. Res.: 8
  • Norm. En. per Res.: -5.8316
• Hub Node: B(6)

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	-70.7444	-34.6037	-240.546	-345.8942	72	14	8	8795	8	21	36
A-F	-4.6573	-26.7025	-96.5612	-127.921	63	7	6	4745	1	27	25
A-G	-3.338	-32.4202	-116.013	-151.7712	59	8	1	5640	4	32	28
A-H	0.0	-4.3439	-1.7974	-6.1412	15	0	0	150	0	8	4
A-J	0.0	-13.3804	-2.1566	-15.537	19	0	0	309	0	9	11
B-C	0.0	-6.2454	-2.2415	-8.4869	9	0	0	140	0	2	2
B-D	0.0	-46.3888	-87.069	-133.4579	61	12	7	4505	2	26	21
B-F	-6.8272	-39.9406	-5.3879	-52.1557	9	2	0	291	4	3	3
B-G	0.0	0.0	-0.2165	-0.2165	6	0	0	50	0	5	3
B-K	0.0	18.3237	-15.9046	2.4191	26	1	0	663	1	15	14
B-L	0.0	0.0	-0.0163	-0.0163	2	0	0	4	0	2	1
C-D	-63.2189	-27.7202	-245.522	-336.461	76	18	8	8939	6	21	36
C-E	0.0	-26.2788	-86.6655	-112.9443	57	3	6	4208	1	27	23
C-F	0.0	-6.5005	-2.3188	-8.8193	11	0	0	169	0	4	3
D-I	0.0	-8.4664	-6.1341	-14.6006	12	0	0	289	0	15	11
D-J	0.0	1.1747	-12.7949	-11.6202	14	0	0	646	0	9	5
D-K	0.0	19.0513	-0.8366	18.2147	7	0	0	109	0	11	9
E-F	-66.3089	-29.0956	-232.231	-327.6356	74	13	6	8244	7	19	41
G-H	-46.0143	-20.7658	-230.851	-297.6311	75	16	7	8727	7	22	38
G-L	-6.958	-15.9745	-102.976	-125.9085	66	1	6	5086	2	28	22
H-I	0.0	-4.0227	-1.3498	-5.3725	10	0	0	144	0	3	3
H-J	-21.8079	-32.424	-94.4121	-148.644	63	16	6	4928	0	28	22
H-L	-4.032	-35.4379	-7.1829	-46.6529	8	0	0	271	3	3	3
I-J	-62.1096	-24.9033	-222.461	-309.4739	76	13	6	8583	6	21	44
I-K	0.0	-17.1159	-92.3494	-109.4653	65	6	6	4733	0	29	22
I-L	-5.7767	-37.8221	-8.4055	-52.0042	10	0	0	288	4	3	3
K-L	-63.4412	-22.1625	-238.264	-323.8677	73	17	10	8697	5	22	41

Interface residues

• A-B: ALA24A, ALA24B, ALA44A, ALA44B, ALA88A, ALA88B, ARG28A, ARG28B, ARG82A, ARG82B, ARG87A, ARG87B, ASP15A, ASP15B, GLN89A, GLN89B, GLU18A, GLU18B, GLU23A, GLU23B, GLU27A, GLU27B, GLY14A, GLY14B, GLY26A, GLY26B, GLY50A, GLY50B, GLY84A, GLY84B, HIS19A, HIS19B, HIS45A, HIS45B, HIS46A, HIS46B, HIS48A, HIS48B, HIS86A, HIS86B, LEU12B, LEU20A, LEU20B, LEU25A, LEU25B, LEU29A, LEU29B, LEU43A, LEU43B, LEU49A, LEU49B, LEU72A, LEU72B, PHE42A, PHE42B, PRO47A, PRO47B, PRO83A, PRO83B, SER30B, THR85A, THR85B, TYR81A, TYR81B, VAL21A, VAL21B, VAL22A, VAL22B, VAL74A, VAL74B, VAL90A, VAL90B
• A-F: ALA103F, ALA55F, ALA60A, ALA60F, ALA64A, ALA64F, ALA68A, ALA68F, ARG101A, ARG101F, ARG28A, ARG36F, ARG52A, ARG52F, ARG59F, ARG67A, ARG67F, ARG92A, ASP15A, ASP15F, ASP95A, GLN73A, GLU13A, GLU13F, GLU18A, GLU18F, GLU57F, GLU63A, GLU63F, GLU75A, GLU98A, GLY17A, GLY17F, GLY70A, HIS19A, HIS19F, LEU56F, LEU61A, LEU61F, LEU66A, LEU66F, LEU69A, LEU69F, LEU72A, LEU72F, LEU97A, LYS62F, LYS94A, PRO16A, PRO16F, SER54F, SER58F, THR8F, TRP9F, TYR10F, TYR65A, TYR65F, VAL100F, VAL11F, VAL21A, VAL53F, VAL74A, VAL93A
• A-G: ALA24G, ALA39A, ALA41A, ALA44A, ALA76G, ALA88A, ALA88G, ALA91G, ARG28G, ARG36A, ARG82A, ARG87A, ARG87G, ARG92G, ASP80A, ASP95G, GLN89A, GLN89G, GLU23G, GLU27G, GLU37A, GLU75G, GLU98G, GLU99A, GLU99G, GLY26G, GLY7A, GLY84A, HIS45A, HIS86A, HIS86G, ILE32A, LEU25G, LEU29G, LEU38A, LEU5A, LEU5G, LEU96A, LEU96G, LYS62A, LYS94G, PHE42A, PRO83A, SER35A, SER6A, THR34A, THR85A, THR85G, THR8A, TRP33A, TRP9A, TYR10A, TYR81A, VAL74G, VAL77G, VAL79A, VAL79G, VAL90G, VAL93G
• A-H: ALA88A, ARG87A, ASP15H, GLN89A, GLU18H, GLY17H, GLY50H, GLY7A, HIS48H, HIS86A, LEU5A, PRO16H, SER6A, THR34A, VAL90A
• A-J: ALA88A, ARG28J, ARG87A, ARG92A, ARG92J, ASP95A, ASP95J, GLN73J, GLN89A, GLU27A, GLU27J, GLU75J, GLU98J, GLY26A, GLY26J, HIS86A, LEU25A, LYS94J, VAL90A
• B-C: ALA24C, ARG28C, ARG67B, GLN73B, GLN73C, GLU23C, GLU27C, GLY26C, LEU25C
• B-D: ALA103B, ALA55B, ALA60B, ALA60D, ALA64B, ALA64D, ALA68B, ALA68D, ARG101B, ARG101D, ARG28D, ARG36B, ARG52B, ARG52D, ARG59B, ARG67B, ARG67D, ASP15B, ASP15D, GLN73D, GLU13B, GLU13D, GLU18B, GLU18D, GLU57B, GLU63B, GLU63D, GLU75D, GLY14D, GLY17B, GLY17D, GLY70B, GLY70D, HIS19B, HIS19D, LEU56B, LEU61B, LEU61D, LEU66B, LEU66D, LEU69B, LEU69D, LEU72B, LEU72D, LEU97D, LYS62B, LYS94D, PRO16B, PRO16D, SER54B, SER58B, THR8B, TRP9B, TYR10B, TYR65B, TYR65D, VAL100B, VAL11B, VAL53B, VAL74D, VAL93D
• B-F: ALA24B, ARG28B, ARG67F, GLN73B, GLN73F, GLU23B, GLU27B, GLY26B, GLY70F
• B-G: ALA44B, ARG92G, GLU27G, HIS45B, HIS48B, LYS94G
• B-K: ALA44B, ALA55B, ALA76K, ALA88K, ALA91K, ARG36B, ARG52B, ARG87K, ARG92K, ASP95K, GLN89K, GLU27K, GLU37B, GLU40B, GLU57B, GLU75K, GLU98K, GLY26K, LEU25K, LEU38B, LEU43B, LYS94K, SER54B, TYR10B, VAL53B, VAL90K
• B-L: ASP15L, HIS45B
• C-D: ALA24C, ALA24D, ALA41C, ALA44C, ALA44D, ALA88C, ALA88D, ARG28C, ARG28D, ARG82C, ARG82D, ARG87C, ARG87D, ASP15C, ASP15D, ASP80D, GLN73D, GLN89C, GLN89D, GLU18C, GLU18D, GLU23C, GLU23D, GLU27C, GLU27D, GLY14C, GLY14D, GLY26C, GLY26D, GLY50C, GLY50D, GLY84C, GLY84D, HIS19C, HIS19D, HIS45C, HIS45D, HIS46C, HIS46D, HIS48C, HIS48D, HIS86C, HIS86D, LEU12C, LEU20C, LEU20D, LEU25C, LEU25D, LEU29C, LEU29D, LEU43C, LEU43D, LEU49C, LEU49D, LEU72C, LEU72D, PHE42C, PHE42D, PRO47C, PRO47D, PRO83C, PRO83D, SER30D, THR85C, THR85D, TYR81C, TYR81D, VAL21C, VAL21D, VAL22C, VAL22D, VAL74C, VAL74D, VAL79D, VAL90C, VAL90D
• C-E: ALA55C, ALA60C, ALA60E, ALA64C, ALA64E, ALA68C, ALA68E, ARG101C, ARG101E, ARG28E, ARG36C, ARG52C, ARG59C, ARG67C, ARG67E, ASP15C, ASP15E, GLN73E, GLU13C, GLU13E, GLU18C, GLU18E, GLU57C, GLU63C, GLU63E, GLU75E, GLY17C, GLY17E, GLY70C, GLY70E, HIS19C, HIS19E, LEU56C, LEU61C, LEU61E, LEU66C, LEU66E, LEU69C, LEU69E, LEU72C, LEU72E, LEU97E, LYS62C, LYS94E, PRO16C, PRO16E, SER54C, SER58C, TRP9C, TYR10C, TYR65C, TYR65E, VAL100C, VAL11C, VAL53C, VAL74E, VAL93E
• C-F: ARG101C, ARG28F, ARG67C, GLN73C, GLN73F, GLU23F, GLU27F, GLU63C, GLY26F, GLY70C, LEU25F
• D-I: ARG101D, ARG52I, ARG59D, ASP15I, ASP95D, GLU98D, GLU99D, GLY50I, HIS48I, LEU49I, LYS94D, PRO47I
• D-J: ALA88J, ARG87J, ARG92D, ASP95D, GLN89J, GLU27D, GLU98D, GLU99D, HIS86J, LEU25J, LEU96D, LYS94D, THR85J, VAL90J
• D-K: ALA60D, ARG101D, ARG101K, ARG59D, GLU63D, GLU98K, GLU99K
• E-F: ALA24E, ALA24F, ALA44E, ALA44F, ALA88E, ALA88F, ARG28E, ARG28F, ARG82E, ARG82F, ARG87E, ARG87F, ASP15E, ASP15F, GLN73E, GLN73F, GLN89F, GLU13F, GLU18E, GLU18F, GLU23E, GLU23F, GLU27E, GLU27F, GLY14E, GLY14F, GLY26E, GLY26F, GLY50E, GLY50F, GLY84E, GLY84F, HIS19E, HIS19F, HIS45E, HIS45F, HIS46E, HIS46F, HIS48E, HIS48F, HIS86E, HIS86F, LEU12E, LEU12F, LEU20E, LEU20F, LEU25E, LEU25F, LEU29E, LEU29F, LEU43E, LEU43F, LEU49E, LEU49F, LEU72E, LEU72F, PHE42E, PHE42F, PRO47E, PRO47F, PRO83E, PRO83F, THR85E, THR85F, TYR81E, TYR81F, VAL21E, VAL21F, VAL22E, VAL22F, VAL74E, VAL74F, VAL90E, VAL90F
• G-H: ALA24G, ALA24H, ALA44G, ALA44H, ALA88G, ALA88H, ARG28G, ARG28H, ARG82G, ARG82H, ARG87G, ARG87H, ASP15G, ASP15H, ASP80H, GLN73G, GLN73H, GLN89H, GLU13H, GLU18G, GLU18H, GLU23G, GLU23H, GLU27G, GLU27H, GLY14G, GLY14H, GLY17H, GLY26G, GLY26H, GLY50G, GLY50H, GLY84G, GLY84H, HIS19G, HIS19H, HIS45G, HIS45H, HIS46G, HIS46H, HIS48G, HIS48H, HIS86G, HIS86H, LEU20G, LEU20H, LEU25G, LEU25H, LEU29G, LEU29H, LEU43G, LEU43H, LEU49G, LEU49H, LEU72G, LEU72H, PHE42G, PHE42H, PRO47G, PRO47H, PRO83G, PRO83H, SER30G, THR85G, THR85H, TYR81G, TYR81H, VAL21G, VAL21H, VAL22G, VAL22H, VAL74G, VAL74H, VAL90G, VAL90H
• G-L: ALA103L, ALA55L, ALA60G, ALA60L, ALA64G, ALA64L, ALA68G, ALA68L, ARG101G, ARG101L, ARG28G, ARG36L, ARG52G, ARG52L, ARG59L, ARG67G, ARG67L, ARG92G, ASP15G, ASP15L, ASP95G, GLN73G, GLU13G, GLU13L, GLU18G, GLU18L, GLU23G, GLU57L, GLU63G, GLU63L, GLU75G, GLU98G, GLY17G, GLY17L, GLY70G, GLY70L, HIS19G, HIS19L, LEU20G, LEU56L, LEU61G, LEU61L, LEU66G, LEU66L, LEU69G, LEU69L, LEU72G, LEU72L, LEU97G, LYS62L, LYS94G, PRO16G, PRO16L, SER54L, SER58L, THR8L, TRP9L, TYR10L, TYR65G, TYR65L, VAL100L, VAL11L, VAL21G, VAL53L, VAL74G, VAL93G
• H-I: ALA24I, ARG101H, ARG67H, GLN73H, GLN73I, GLU23I, GLU27I, GLY26I, GLY70H, LEU25I
• H-J: ALA55H, ALA60H, ALA60J, ALA64H, ALA64J, ALA68H, ALA68J, ARG101H, ARG101J, ARG28J, ARG36H, ARG52H, ARG59H, ARG67H, ARG67J, ARG92J, ASP15H, ASP15J, ASP95J, GLN73J, GLU13H, GLU13J, GLU18H, GLU18J, GLU57H, GLU63H, GLU63J, GLU75J, GLU98J, GLY14H, GLY14J, GLY17H, GLY17J, GLY70H, GLY70J, HIS19H, HIS19J, LEU56H, LEU61H, LEU66H, LEU66J, LEU69H, LEU69J, LEU72H, LEU72J, LEU96J, LEU97J, LYS62H, LYS94J, PRO16H, PRO16J, SER54H, SER58H, THR8H, TRP9H, TYR10H, TYR65H, TYR65J, VAL100H, VAL11H, VAL53H, VAL74J, VAL93J
• H-L: ALA24H, ARG28H, ARG67L, GLN73H, GLN73L, GLU23H, GLU27H, GLY26H
• I-J: ALA24I, ALA24J, ALA44I, ALA44J, ALA88I, ALA88J, ARG28I, ARG28J, ARG52I, ARG82I, ARG82J, ARG87I, ARG87J, ASP15I, ASP15J, ASP80I, GLN73J, GLN89I, GLU13I, GLU18I, GLU18J, GLU23I, GLU23J, GLU27I, GLU27J, GLY14I, GLY14J, GLY17I, GLY26I, GLY26J, GLY50I, GLY50J, GLY84I, GLY84J, HIS19I, HIS19J, HIS45I, HIS45J, HIS46I, HIS46J, HIS48I, HIS48J, HIS86I, HIS86J, LEU12I, LEU12J, LEU20I, LEU20J, LEU25I, LEU25J, LEU29I, LEU29J, LEU43I, LEU43J, LEU49I, LEU49J, LEU72I, LEU72J, PHE42I, PHE42J, PRO47I, PRO47J, PRO83I, PRO83J, THR85I, THR85J, TYR81I, TYR81J, VAL21I, VAL21J, VAL22I, VAL22J, VAL74I, VAL74J, VAL90I, VAL90J
• I-K: ALA103I, ALA55I, ALA60I, ALA60K, ALA64I, ALA64K, ALA68I, ALA68K, ARG101I, ARG101K, ARG28K, ARG36I, ARG52I, ARG52K, ARG59I, ARG67I, ARG67K, ARG92K, ASP15I, ASP15K, ASP95K, GLN73K, GLU13I, GLU13K, GLU18I, GLU18K, GLU23K, GLU57I, GLU63I, GLU63K, GLU75K, GLU98K, GLY17I, GLY17K, GLY70K, HIS19I, HIS19K, LEU20K, LEU56I, LEU61I, LEU61K, LEU66I, LEU66K, LEU69I, LEU69K, LEU72I, LEU72K, LEU97K, LYS62I, LYS94K, PRO16I, PRO16K, SER54I, SER58I, THR8I, TRP9I, TYR10I, TYR65I, TYR65K, VAL100I, VAL11I, VAL21K, VAL53I, VAL74K, VAL93K
• I-L: ALA24L, ARG28L, ARG67I, GLN73I, GLN73L, GLU23L, GLU27L, GLY26L, GLY70I, VAL21L
• K-L: ALA24K, ALA24L, ALA44K, ALA44L, ALA88K, ALA88L, ARG28K, ARG28L, ARG82K, ARG82L, ARG87K, ARG87L, ASP15K, ASP15L, GLN73K, GLN73L, GLN89K, GLN89L, GLU18K, GLU18L, GLU23K, GLU23L, GLU27K, GLU27L, GLY14K, GLY14L, GLY26K, GLY26L, GLY50K, GLY50L, GLY84K, GLY84L, HIS19K, HIS19L, HIS45K, HIS45L, HIS46K, HIS46L, HIS48K, HIS48L, HIS86K, HIS86L, LEU12L, LEU20K, LEU20L, LEU25K, LEU25L, LEU29K, LEU29L, LEU43K, LEU43L, LEU49K, LEU49L, LEU72K, LEU72L, PHE42K, PHE42L, PRO47K, PRO47L, PRO83K, PRO83L, THR85K, THR85L, TYR81K, TYR81L, VAL21K, VAL21L, VAL22K, VAL22L, VAL74K, VAL74L, VAL90K, VAL90L