1R4C

n-truncated human cystatin c; dimeric form with 3d domain swapping

• Total interactions analyzed: 28
• Total true interactions: 17
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 204
  • Norm. En. per Res.: -8.2418
• 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	-466.8231	-155.7242	-999.641	-1622.1883	204	69	45	37188	6	39	41
A-C	-15.262	-4.0389	-170.001	-189.302	57	15	0	5631	1	6	8
A-D	-5.1117	-8.0952	-61.6518	-74.8587	50	4	0	3024	0	14	8
A-G	0.0	10.267	-38.6961	-28.4291	33	5	0	1782	0	13	13
A-H	-46.6118	0.9426	-96.1139	-141.7831	35	7	3	4233	0	9	8
B-C	-10.0703	-8.4465	-65.9798	-84.4965	49	4	0	2905	0	14	8
B-D	-21.0393	19.7758	-83.1748	-84.4383	71	11	1	4935	0	2	16
B-E	0.0	0.0	-0.1126	-0.1126	7	0	0	26	0	0	0
B-G	0.0	2.3337	-30.01	-27.6763	32	6	0	1807	0	7	4
B-H	0.0	5.5886	-0.8003	4.7882	14	0	0	126	0	4	5
C-D	-466.415	-136.5548	-993.442	-1596.4119	205	62	47	36931	7	36	38
E-F	-470.3944	-159.9548	-1050.97	-1681.3192	204	67	49	37539	7	41	40
E-G	-3.9007	19.879	-82.8119	-66.8336	75	12	2	4822	0	4	17
E-H	-5.5323	-8.8151	-53.9469	-68.2943	50	4	0	2469	0	13	9
F-G	0.0	-8.4415	-70.4802	-78.9217	47	1	1	2930	0	15	8
F-H	-11.0027	-5.6579	-118.553	-135.2136	53	7	0	4875	2	6	8
G-H	-459.0432	-153.0427	-999.952	-1612.0378	202	64	52	36958	6	36	43

Interface residues

• A-B: ALA103A, ALA103B, ALA120A, ALA120B, ALA16A, ALA16B, ALA26A, ALA26B, ALA30A, ALA30B, ALA37A, ALA37B, ALA46A, ALA46B, ALA52A, ALA52B, ALA58A, ALA58B, ALA95A, ALA95B, ARG24A, ARG24B, ARG25A, ARG25B, ARG45A, ARG45B, ARG51A, ARG51B, ARG53A, ARG53B, ARG70A, ARG70B, ARG93A, ARG93B, ASN35A, ASN35B, ASN39A, ASN39B, ASN61A, ASN61B, ASN79A, ASN79B, ASN82A, ASN82B, ASP119A, ASP119B, ASP15B, ASP28A, ASP28B, ASP40A, ASP40B, ASP65A, ASP65B, ASP81A, ASP81B, CYS117A, CYS117B, CYS73A, CYS73B, CYS83A, CYS83B, CYS97A, CYS97B, GLN100A, GLN100B, GLN107A, GLN118A, GLN118B, GLN48A, GLN48B, GLN55A, GLN55B, GLN77A, GLN77B, GLN88B, GLU20A, GLU20B, GLU21A, GLU21B, GLU33A, GLU33B, GLU67A, GLU67B, GLY108A, GLY108B, GLY12A, GLY12B, GLY22A, GLY22B, GLY32A, GLY32B, GLY59A, GLY59B, GLY69A, GLY69B, HIS43A, HIS43B, HIS86A, HIS86B, ILE101A, ILE101B, ILE56A, ILE56B, LEU112A, LEU112B, LEU27A, LEU27B, LEU47A, LEU47B, LEU64A, LEU64B, LEU68A, LEU68B, LEU80A, LEU80B, LEU91A, LEU91B, LYS114A, LYS114B, LYS36A, LYS36B, LYS54A, LYS54B, LYS75A, LYS75B, LYS92A, LYS94A, LYS94B, MET110A, MET110B, MET14A, MET14B, MET41A, MET41B, PHE29A, PHE29B, PHE63A, PHE63B, PHE85A, PHE85B, PHE96A, PHE96B, PHE99A, PHE99B, PRO105A, PRO105B, PRO13A, PRO13B, PRO84A, PRO84B, SER113A, SER113B, SER115A, SER115B, SER17A, SER17B, SER38A, SER38B, SER44A, SER44B, SER98A, SER98B, THR109A, THR109B, THR111A, THR111B, THR116A, THR116B, THR71A, THR71B, THR72A, THR72B, THR74A, THR74B, THR76A, THR76B, TRP106A, TRP106B, TYR102A, TYR102B, TYR34A, TYR34B, TYR42A, TYR42B, TYR62A, TYR62B, VAL104A, VAL104B, VAL18A, VAL18B, VAL23A, VAL23B, VAL31A, VAL31B, VAL49A, VAL49B, VAL50A, VAL50B, VAL57A, VAL57B, VAL60A, VAL60B, VAL66A, VAL66B
• A-C: ALA37A, ALA37C, ASN35A, ASN35C, ASN39A, ASN39C, ASN61A, ASN61C, ASP40A, ASP40C, ASP65A, ASP65C, CYS117A, CYS117C, CYS97A, CYS97C, GLN100A, GLN100C, GLN118A, GLN118C, GLU33A, GLU33C, HIS43C, ILE101A, ILE101C, LEU112A, LEU64A, LEU64C, LYS114A, LYS114C, LYS36A, LYS36C, MET41A, MET41C, PHE29A, PHE29C, PHE63A, PHE63C, PHE99A, PHE99C, SER113A, SER113C, SER115A, SER115C, SER38A, SER38C, SER98A, SER98C, THR116A, THR116C, TYR34C, TYR42A, TYR42C, TYR62A, TYR62C, VAL66A, VAL66C
• A-D: ALA120A, ALA52D, ALA95A, ARG51D, ARG53D, ARG70D, ARG93D, ASN61A, ASP119A, ASP119D, ASP65A, CYS117A, CYS97A, GLN100A, GLN118A, GLN77D, GLN88D, GLU67A, HIS43A, HIS86D, HIS90D, LEU112D, LEU64A, LEU91D, LYS114A, LYS36A, LYS75D, LYS92D, LYS94A, LYS94D, MET110D, MET41A, PHE63A, PHE96A, PHE99A, PRO13D, PRO89D, SER113A, SER115A, SER98A, THR109D, THR111D, THR116A, THR74D, THR76D, TYR102A, TYR42A, TYR62A, VAL50D, VAL66A
• A-G: ALA120G, ALA46A, ALA95G, ARG24A, ARG45A, ASN82G, ASP15A, ASP28A, ASP65G, ASP81G, ASP87G, CYS83G, CYS97G, GLN118G, GLN48A, GLU19A, GLU20A, GLU21A, GLU67G, HIS86G, LEU47A, LEU68G, LYS92G, LYS94G, PHE85G, PHE96G, PRO84G, SER17A, THR71G, THR72G, VAL18A, VAL49A, VAL66G
• A-H: ALA16A, ALA16H, ALA46A, ALA46H, ALA52A, ALA52H, ARG24A, ARG24H, ARG45A, ARG45H, ARG51A, ARG51H, ARG53A, ARG53H, ASP15A, ASP15H, ASP28H, GLN48A, GLN48H, GLU19A, GLU19H, GLU20A, LEU27A, LEU27H, LEU47A, LEU47H, SER17A, SER17H, VAL18A, VAL18H, VAL23A, VAL49A, VAL49H, VAL50A, VAL50H
• B-C: ALA120B, ALA120C, ALA52B, ALA95C, ARG51B, ARG53B, ARG70B, ARG93B, ASN61C, ASP119B, ASP119C, ASP65C, CYS117C, CYS97C, GLN100C, GLN118C, GLN77B, GLN88B, GLU67C, HIS86B, HIS90B, LEU112B, LEU64C, LEU91B, LYS114C, LYS36C, LYS75B, LYS92B, LYS94C, MET110B, MET41C, PHE63C, PHE96C, PHE99C, PRO13B, PRO89B, SER113C, SER115C, SER98C, THR111B, THR116C, THR72B, THR74B, THR76B, TYR102C, TYR42C, TYR62C, VAL50B, VAL66C
• B-D: ALA52D, ALA58D, ARG51B, ARG51D, ARG53B, ARG53D, ARG70B, ARG70D, ASN79B, ASN79D, ASP87B, ASP87D, CYS73B, CYS73D, CYS83B, GLN107B, GLN107D, GLN48B, GLN55B, GLN55D, GLN77B, GLN77D, GLN88B, GLN88D, GLY108D, GLY11B, GLY11D, GLY12B, GLY12D, HIS86B, HIS86D, HIS90B, HIS90D, ILE56D, LEU80B, LEU91B, LEU91D, LYS54B, LYS54D, LYS75B, LYS75D, MET14B, MET14D, PRO13B, PRO13D, PRO78B, PRO78D, PRO84B, PRO84D, PRO89B, PRO89D, THR109B, THR109D, THR71B, THR71D, THR72B, THR72D, THR74B, THR74D, THR76B, THR76D, TRP106B, TRP106D, TYR102B, TYR102D, VAL104B, VAL104D, VAL50B, VAL50D, VAL57B, VAL57D
• B-E: ARG51E, ARG53E, ASP87B, CYS83B, GLY11E, GLY12E, PRO84B
• B-G: ARG70B, ARG93B, ASN79B, ASN79G, ASN82B, ASN82G, ASP81B, ASP81G, ASP87B, ASP87G, CYS73G, CYS83B, CYS83G, GLN88G, GLU67B, GLY69B, HIS86B, HIS86G, LEU68B, LEU80B, LYS92B, LYS92G, LYS94B, PHE85B, PHE85G, PRO84B, PRO84G, PRO89G, THR71B, THR71G, THR72B, THR72G
• B-H: ARG24H, ARG45H, ASP65B, GLN48H, GLU19H, GLU67B, LEU47H, LEU64B, LYS94B, PHE63B, PHE85B, PHE96B, VAL18H, VAL66B
• C-D: ALA103C, ALA103D, ALA120D, ALA16C, ALA16D, ALA26C, ALA26D, ALA30C, ALA30D, ALA37C, ALA37D, ALA46C, ALA46D, ALA52C, ALA52D, ALA58C, ALA58D, ALA95C, ALA95D, ARG24C, ARG24D, ARG25C, ARG25D, ARG45C, ARG45D, ARG51C, ARG51D, ARG53C, ARG53D, ARG70C, ARG70D, ARG93C, ARG93D, ASN35C, ASN35D, ASN39C, ASN39D, ASN61C, ASN61D, ASN79C, ASN79D, ASN82C, ASN82D, ASP119C, ASP119D, ASP15C, ASP28C, ASP28D, ASP40C, ASP40D, ASP65C, ASP65D, ASP81C, ASP81D, CYS117C, CYS117D, CYS73C, CYS73D, CYS83C, CYS83D, CYS97C, CYS97D, GLN100C, GLN100D, GLN107D, GLN118C, GLN118D, GLN48C, GLN48D, GLN55C, GLN55D, GLN77C, GLN77D, GLN88C, GLU20C, GLU20D, GLU21C, GLU21D, GLU33C, GLU33D, GLU67C, GLU67D, GLY108C, GLY108D, GLY12C, GLY12D, GLY22C, GLY22D, GLY32C, GLY32D, GLY59C, GLY59D, GLY69C, GLY69D, HIS43C, HIS43D, HIS86C, HIS86D, HIS90C, ILE101C, ILE101D, ILE56C, ILE56D, LEU112C, LEU112D, LEU27C, LEU27D, LEU47C, LEU47D, LEU64C, LEU64D, LEU68C, LEU68D, LEU80C, LEU80D, LEU91C, LEU91D, LYS114C, LYS114D, LYS36C, LYS36D, LYS54C, LYS54D, LYS75C, LYS75D, LYS92D, LYS94C, LYS94D, MET110C, MET110D, MET14C, MET14D, MET41C, MET41D, PHE29C, PHE29D, PHE63C, PHE63D, PHE85C, PHE85D, PHE96C, PHE96D, PHE99C, PHE99D, PRO105C, PRO105D, PRO13C, PRO13D, PRO78C, PRO84C, PRO84D, SER113C, SER113D, SER115C, SER115D, SER17C, SER17D, SER38C, SER38D, SER44C, SER44D, SER98C, SER98D, THR109C, THR109D, THR111C, THR111D, THR116C, THR116D, THR71C, THR71D, THR72C, THR72D, THR74C, THR74D, THR76C, THR76D, TRP106C, TRP106D, TYR102C, TYR102D, TYR34C, TYR34D, TYR42C, TYR42D, TYR62C, TYR62D, VAL104C, VAL104D, VAL18C, VAL18D, VAL23C, VAL23D, VAL31C, VAL31D, VAL49C, VAL49D, VAL50C, VAL50D, VAL57C, VAL57D, VAL60C, VAL60D, VAL66C, VAL66D
• E-F: ALA103E, ALA103F, ALA120E, ALA120F, ALA16E, ALA16F, ALA26E, ALA26F, ALA30E, ALA30F, ALA37E, ALA37F, ALA46E, ALA46F, ALA52E, ALA52F, ALA58E, ALA58F, ALA95E, ALA95F, ARG24E, ARG24F, ARG25E, ARG25F, ARG45E, ARG45F, ARG51E, ARG51F, ARG53E, ARG53F, ARG70E, ARG70F, ARG93E, ARG93F, ASN35E, ASN35F, ASN39E, ASN39F, ASN61E, ASN61F, ASN79E, ASN79F, ASN82E, ASN82F, ASP119E, ASP119F, ASP15E, ASP28E, ASP28F, ASP40E, ASP40F, ASP65E, ASP65F, ASP81E, ASP81F, CYS117E, CYS117F, CYS73E, CYS73F, CYS83E, CYS83F, CYS97E, CYS97F, GLN100E, GLN100F, GLN107F, GLN118E, GLN118F, GLN48E, GLN48F, GLN55E, GLN55F, GLN77E, GLN77F, GLN88E, GLU20E, GLU20F, GLU21E, GLU21F, GLU33E, GLU33F, GLU67E, GLU67F, GLY108E, GLY108F, GLY12F, GLY22E, GLY22F, GLY32E, GLY32F, GLY59E, GLY59F, GLY69E, GLY69F, HIS43E, HIS43F, HIS86E, HIS86F, ILE101E, ILE101F, ILE56E, ILE56F, LEU112E, LEU112F, LEU27E, LEU27F, LEU47E, LEU47F, LEU64E, LEU64F, LEU68E, LEU68F, LEU80E, LEU80F, LEU91E, LEU91F, LYS114E, LYS114F, LYS36E, LYS36F, LYS54E, LYS54F, LYS75E, LYS75F, LYS92E, LYS92F, LYS94E, LYS94F, MET110E, MET110F, MET14E, MET14F, MET41E, MET41F, PHE29E, PHE29F, PHE63E, PHE63F, PHE85E, PHE85F, PHE96E, PHE96F, PHE99E, PHE99F, PRO105E, PRO105F, PRO13E, PRO13F, PRO84E, PRO84F, SER113E, SER113F, SER115E, SER115F, SER17E, SER17F, SER38E, SER38F, SER44E, SER44F, SER98E, SER98F, THR109E, THR109F, THR111E, THR111F, THR116E, THR116F, THR71E, THR71F, THR72E, THR72F, THR74E, THR74F, THR76E, THR76F, TRP106E, TRP106F, TYR102E, TYR102F, TYR34E, TYR34F, TYR42E, TYR42F, TYR62E, TYR62F, VAL104E, VAL104F, VAL18E, VAL18F, VAL23E, VAL23F, VAL31E, VAL31F, VAL49E, VAL49F, VAL50E, VAL50F, VAL57E, VAL57F, VAL60E, VAL60F, VAL66E, VAL66F
• E-G: ALA52E, ALA52G, ALA58E, ARG51E, ARG51G, ARG53E, ARG53G, ARG70E, ARG70G, ASN79G, ASP87E, ASP87G, CYS73E, CYS73G, CYS83G, GLN107E, GLN107G, GLN48E, GLN48G, GLN55E, GLN55G, GLN77E, GLN77G, GLN88E, GLN88G, GLY108E, GLY11E, GLY11G, GLY12E, GLY12G, HIS86E, HIS86G, HIS90E, HIS90G, ILE56E, ILE56G, LEU91E, LEU91G, LYS54E, LYS54G, LYS75E, LYS75G, MET14E, MET14G, PHE85E, PRO13E, PRO13G, PRO78E, PRO78G, PRO84E, PRO84G, PRO89E, PRO89G, THR109E, THR109G, THR111E, THR111G, THR71E, THR71G, THR72E, THR72G, THR74E, THR74G, THR76E, THR76G, TRP106E, TYR102E, TYR102G, VAL104E, VAL104G, VAL49E, VAL50E, VAL50G, VAL57E, VAL57G
• E-H: ALA120E, ALA120H, ALA52E, ALA95E, ALA95H, ARG51E, ARG53E, ARG70E, ARG93E, ASN61H, ASP119E, ASP119H, ASP65H, CYS117H, CYS97H, GLN100H, GLN118H, GLN77E, GLN88E, GLU67H, HIS86E, HIS90E, LEU112E, LEU64H, LEU91E, LYS114H, LYS36H, LYS75E, LYS92E, LYS94E, LYS94H, MET110E, MET41H, PHE63H, PHE96H, PHE99H, PRO13E, PRO89E, SER113H, SER98H, THR111E, THR116H, THR72E, THR74E, THR76E, TYR102H, TYR42H, TYR62H, VAL50E, VAL66H
• F-G: ALA120F, ALA52G, ALA95F, ARG51G, ARG53G, ARG70G, ARG93G, ASN61F, ASP119F, ASP119G, ASP65F, CYS117F, CYS97F, GLN100F, GLN118F, GLN77G, GLN88G, GLU67F, HIS86G, HIS90G, LEU64F, LEU91G, LYS114F, LYS36F, LYS75G, LYS92G, LYS94F, LYS94G, MET110G, MET41F, PHE63F, PHE96F, PHE99F, PRO13G, PRO89G, SER113F, SER98F, THR111G, THR116F, THR72G, THR74G, THR76G, TYR102F, TYR42F, TYR62F, VAL50G, VAL66F
• F-H: ALA37F, ASN35F, ASN35H, ASN39F, ASN39H, ASN61F, ASN61H, ASP40F, ASP40H, ASP65F, ASP65H, CYS117F, CYS117H, CYS97F, CYS97H, GLN100F, GLN100H, GLN118H, GLU33F, GLU33H, GLY32F, ILE101F, ILE101H, LEU64F, LEU64H, LYS114F, LYS114H, LYS36F, LYS36H, MET41F, MET41H, PHE29F, PHE29H, PHE63F, PHE63H, PHE99F, PHE99H, SER113F, SER113H, SER115F, SER115H, SER38F, SER38H, SER98F, SER98H, THR116F, THR116H, TYR42F, TYR42H, TYR62F, TYR62H, VAL66F, VAL66H
• G-H: ALA103G, ALA103H, ALA120H, ALA16G, ALA16H, ALA26G, ALA26H, ALA30G, ALA30H, ALA37G, ALA37H, ALA46G, ALA46H, ALA52G, ALA52H, ALA58G, ALA58H, ALA95G, ALA95H, ARG24G, ARG24H, ARG25G, ARG25H, ARG45G, ARG45H, ARG51G, ARG51H, ARG53G, ARG53H, ARG70G, ARG70H, ARG93G, ARG93H, ASN35G, ASN35H, ASN39G, ASN39H, ASN61G, ASN61H, ASN79G, ASN82G, ASN82H, ASP119G, ASP119H, ASP28G, ASP28H, ASP40G, ASP40H, ASP65G, ASP65H, ASP81G, ASP81H, CYS117G, CYS117H, CYS73G, CYS73H, CYS83G, CYS83H, CYS97G, CYS97H, GLN100G, GLN100H, GLN107H, GLN118G, GLN118H, GLN48G, GLN48H, GLN55G, GLN55H, GLN77G, GLN77H, GLN88G, GLU19H, GLU20G, GLU20H, GLU21G, GLU21H, GLU33G, GLU33H, GLU67G, GLU67H, GLY108G, GLY108H, GLY12G, GLY22G, GLY22H, GLY32G, GLY32H, GLY59G, GLY59H, GLY69G, GLY69H, HIS43G, HIS43H, HIS86G, HIS86H, ILE101G, ILE101H, ILE56G, ILE56H, LEU112G, LEU112H, LEU27G, LEU27H, LEU47G, LEU47H, LEU64G, LEU64H, LEU68G, LEU68H, LEU80G, LEU80H, LEU91G, LEU91H, LYS114G, LYS114H, LYS36G, LYS36H, LYS54G, LYS54H, LYS75G, LYS75H, LYS92G, LYS92H, LYS94G, LYS94H, MET110G, MET110H, MET14G, MET14H, MET41G, MET41H, PHE29G, PHE29H, PHE63G, PHE63H, PHE85G, PHE85H, PHE96G, PHE96H, PHE99G, PHE99H, PRO105G, PRO105H, PRO13G, PRO13H, PRO84G, PRO84H, SER113G, SER113H, SER115G, SER115H, SER17G, SER17H, SER38G, SER38H, SER44G, SER44H, SER98G, SER98H, THR109G, THR109H, THR111G, THR111H, THR116G, THR116H, THR71G, THR71H, THR72G, THR72H, THR74G, THR74H, THR76G, THR76H, TRP106G, TRP106H, TYR102G, TYR102H, TYR34G, TYR34H, TYR42G, TYR42H, TYR62G, TYR62H, VAL104G, VAL104H, VAL18G, VAL18H, VAL23G, VAL23H, VAL31G, VAL31H, VAL49G, VAL49H, VAL50G, VAL50H, VAL57G, VAL57H, VAL60G, VAL60H, VAL66G, VAL66H