1ZS8

crystal structure of the murine mhc class ib molecule m10.5

• Total interactions analyzed: 45
• Total true interactions: 14
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 121
  • Norm. En. per Res.: -3.2169
• Hub Node: A(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	-32.2204	-31.1367	-321.527	-384.884	122	16	3	12002	1	36	31
A-C	0.0	0.0	-21.2573	-21.2573	29	1	0	991	0	12	10
A-E	0.0	0.0	-18.5001	-18.5001	39	0	1	1540	0	16	15
A-G	0.0	0.0	-0.7019	-0.7019	9	0	0	117	0	2	2
A-I	-9.1241	0.0	-82.2617	-91.3858	58	28	0	4012	0	16	18
A-J	0.0	0.0	-10.5014	-10.5014	19	0	0	709	0	4	5
B-G	0.0	0.0	-0.1109	-0.1109	7	0	0	34	0	10	9
C-D	-19.869	-31.1414	-317.403	-368.4134	122	18	3	12028	1	36	31
C-E	0.0	0.0	-3.4899	-3.4899	17	0	0	251	0	8	7
C-F	0.0	0.0	-0.1223	-0.1223	7	0	0	34	0	9	9
D-F	0.0	0.0	-0.6112	-0.6112	12	0	0	204	0	21	18
E-F	-35.4417	-31.1318	-322.668	-389.2415	121	17	3	12007	1	36	31
G-H	-19.8634	-31.142	-318.244	-369.2493	122	18	3	11995	1	36	31
I-J	-19.8763	-31.14	-322.627	-373.6433	121	16	3	12036	1	36	31

Interface residues

• A-B: ALA15B, ALA235A, ALA245A, ARG12B, ARG185A, ARG201A, ARG20A, ARG233A, ARG3B, ARG47A, ARG8A, ARG97B, ASN24B, ASP121A, ASP231A, ASP237A, ASP28A, ASP34B, ASP36A, ASP53B, ASP59B, ASP90A, ASP96B, ASP98B, CYS25B, GLN23A, GLN241A, GLN2B, GLN31A, GLN33A, GLN45A, GLN8B, GLN95A, GLU13A, GLU228A, GLU96A, GLY114A, GLY119A, GLY206A, GLY236A, GLY238A, GLY34A, HIS112A, HIS13B, HIS187A, HIS190A, HIS31B, HIS51B, HIS84B, HIS92A, ILE11A, ILE123A, ILE124A, ILE1B, ILE22A, ILE35B, ILE7B, ILE9A, LEU115A, LEU205A, LEU54B, LEU64B, LEU65B, LEU94A, LYS191A, LYS242A, LYS58B, LYS5A, LYS6B, MET12A, MET99B, PHE22B, PHE240A, PHE30B, PHE35A, PHE56B, PHE62B, PHE7A, PHE98A, PRO14A, PRO14B, PRO230A, PRO234A, PRO32B, SER11B, SER25A, SER28B, SER29A, SER33B, SER52B, SER55B, SER57B, SER61B, THR116A, THR189A, THR232A, THR239A, THR6A, THR86B, THR93A, TRP203A, TRP243A, TRP60B, TRP95B, TYR10B, TYR113A, TYR117A, TYR118A, TYR120A, TYR122A, TYR26A, TYR26B, TYR63B, TYR66B, TYR67B, TYR91A, VAL10A, VAL24A, VAL27B, VAL85B, VAL97A, VAL9B
• A-C: ARG20A, ARG38A, ARG74A, ARG75C, ASN143C, ASN84C, ASN85C, ASN86C, ASP36A, GLN45A, GLU18A, GLU83C, GLY139C, GLY15A, ILE16A, ILE78C, LEU17A, LEU72C, LYS141C, LYS87C, LYS88C, MET67A, PRO19A, SER37A, SER39A, THR82C, TYR79C, VAL138C, VAL81C
• A-E: ALA69E, ARG74E, ARG75A, ARG75E, ASN143A, ASN61E, GLU153A, GLU18E, GLU64E, GLU83A, GLU83E, GLY154A, GLY68A, GLY68E, HIS65E, ILE78A, ILE78E, LEU17E, LEU71A, LEU71E, LEU72A, LEU72E, LYS141A, LYS141E, MET67A, MET67E, MET80A, PRO19E, SER150A, SER70E, THR63E, THR76A, THR82A, THR82E, TYR79A, TYR79E, VAL138A, VAL138E, VAL151A
• A-G: ARG75G, GLU83G, HIS190A, ILE78G, LYS191A, THR82G, TRP273A, TYR79G, VAL192A
• A-I: ALA103A, ALA183A, ARG185A, ASN126I, ASN222I, ASN84I, ASN85I, ASN86I, ASP105A, ASP121I, ASP219A, ASP90I, CYS258A, GLN225I, GLN95I, GLU135I, GLY114I, GLY119I, GLY136I, GLY140I, GLY220A, GLY264A, GLY267A, GLY274A, HIS112I, HIS259A, HIS261A, ILE123I, ILE124I, LEU109A, LEU115I, LEU254A, LEU265A, LEU269A, LEU271A, LYS137I, LYS217A, LYS272A, LYS87I, PHE108A, PRO184A, PRO266A, PRO268A, SER107A, THR116I, THR133I, THR134I, THR186A, THR224I, THR257A, THR270A, TRP273A, TYR117I, TYR118I, TYR120I, TYR122I, VAL138I, VAL260A
• A-J: ARG3J, ASP59J, GLN2J, GLY220A, GLY267A, HIS259A, HIS261A, HIS31J, ILE1J, LEU265A, LEU269A, LYS217A, LYS58J, PRO266A, PRO268A, THR215A, THR270A, TRP60J, VAL260A
• B-G: ASN17B, GLU74B, GLY136G, GLY140G, LYS137G, LYS141G, LYS75B
• C-D: ALA15D, ALA235C, ALA245C, ARG12D, ARG185C, ARG201C, ARG20C, ARG233C, ARG3D, ARG47C, ARG8C, ARG97D, ASN24D, ASP121C, ASP231C, ASP237C, ASP34D, ASP36C, ASP53D, ASP59D, ASP90C, ASP96D, ASP98D, CYS25D, GLN23C, GLN241C, GLN2D, GLN31C, GLN33C, GLN45C, GLN8D, GLN95C, GLU13C, GLU228C, GLU96C, GLY114C, GLY119C, GLY206C, GLY236C, GLY238C, GLY29D, GLY34C, HIS112C, HIS13D, HIS187C, HIS190C, HIS31D, HIS51D, HIS84D, HIS92C, ILE11C, ILE123C, ILE124C, ILE1D, ILE22C, ILE35D, ILE7D, ILE9C, LEU115C, LEU205C, LEU54D, LEU64D, LEU65D, LEU94C, LYS191C, LYS242C, LYS58D, LYS5C, LYS6D, MET12C, MET99D, PHE22D, PHE240C, PHE30D, PHE35C, PHE56D, PHE62D, PHE7C, PHE98C, PRO14C, PRO14D, PRO230C, PRO234C, PRO32D, SER11D, SER25C, SER28D, SER29C, SER33D, SER52D, SER55D, SER57D, SER61D, THR116C, THR189C, THR232C, THR239C, THR6C, THR86D, THR93C, TRP203C, TRP243C, TRP60D, TRP95D, TYR10D, TYR113C, TYR117C, TYR118C, TYR120C, TYR122C, TYR26C, TYR26D, TYR63D, TYR66D, TYR67D, TYR91C, VAL10C, VAL24C, VAL27D, VAL85D, VAL97C, VAL9D
• C-E: ARG20E, ARG38E, ARG75C, ASN89C, ASP36E, GLU18C, GLY15C, GLY15E, ILE16C, ILE16E, LEU17C, LEU17E, LEU71C, LYS88C, PRO19C, SER37E, SER39E
• C-F: ARG20C, ARG38C, ARG45F, ARG81F, HIS51F, LEU17C, SER39C
• D-F: ARG45D, ARG45F, ASN42F, ASP76F, GLU44F, GLU47D, GLU47F, GLY43F, ILE46F, LYS41F, LYS48D, VAL49D
• E-F: ALA15F, ALA235E, ALA245E, ARG12F, ARG185E, ARG201E, ARG20E, ARG233E, ARG3F, ARG47E, ARG8E, ARG97F, ASN24F, ASP121E, ASP231E, ASP237E, ASP34F, ASP36E, ASP53F, ASP59F, ASP90E, ASP96F, ASP98F, CYS25F, GLN23E, GLN241E, GLN2F, GLN31E, GLN33E, GLN45E, GLN8F, GLN95E, GLU13E, GLU228E, GLU96E, GLY114E, GLY119E, GLY206E, GLY236E, GLY238E, GLY34E, HIS112E, HIS13F, HIS187E, HIS190E, HIS31F, HIS51F, HIS84F, HIS92E, ILE11E, ILE123E, ILE124E, ILE1F, ILE22E, ILE35F, ILE7F, ILE9E, LEU115E, LEU205E, LEU54F, LEU64F, LEU65F, LEU94E, LYS191E, LYS242E, LYS58F, LYS5E, LYS6F, MET12E, MET99F, PHE22F, PHE240E, PHE30F, PHE35E, PHE56F, PHE62F, PHE7E, PHE98E, PRO14E, PRO14F, PRO230E, PRO234E, PRO32F, SER11F, SER25E, SER28F, SER29E, SER33F, SER52F, SER55F, SER57F, SER61F, THR116E, THR189E, THR232E, THR239E, THR6E, THR86F, THR93E, TRP203E, TRP243E, TRP60F, TRP95F, TYR10F, TYR113E, TYR117E, TYR118E, TYR120E, TYR122E, TYR26E, TYR26F, TYR63F, TYR66F, TYR67F, TYR91E, VAL10E, VAL24E, VAL27F, VAL85F, VAL97E, VAL9F
• G-H: ALA15H, ALA235G, ALA245G, ARG12H, ARG185G, ARG201G, ARG20G, ARG233G, ARG3H, ARG47G, ARG8G, ARG97H, ASN24H, ASP121G, ASP231G, ASP237G, ASP34H, ASP36G, ASP53H, ASP59H, ASP90G, ASP96H, ASP98H, CYS25H, GLN23G, GLN241G, GLN2H, GLN31G, GLN33G, GLN45G, GLN8H, GLN95G, GLU13G, GLU228G, GLU96G, GLY114G, GLY119G, GLY206G, GLY236G, GLY238G, GLY29H, GLY34G, HIS112G, HIS13H, HIS187G, HIS190G, HIS31H, HIS51H, HIS84H, HIS92G, ILE11G, ILE123G, ILE124G, ILE1H, ILE22G, ILE35H, ILE7H, ILE9G, LEU115G, LEU205G, LEU54H, LEU64H, LEU65H, LEU94G, LYS191G, LYS242G, LYS58H, LYS5G, LYS6H, MET12G, MET99H, PHE22H, PHE240G, PHE30H, PHE35G, PHE56H, PHE62H, PHE7G, PHE98G, PRO14G, PRO14H, PRO230G, PRO234G, PRO32H, SER11H, SER25G, SER28H, SER29G, SER33H, SER52H, SER55H, SER57H, SER61H, THR116G, THR189G, THR232G, THR239G, THR6G, THR86H, THR93G, TRP203G, TRP243G, TRP60H, TRP95H, TYR10H, TYR113G, TYR117G, TYR118G, TYR120G, TYR122G, TYR26G, TYR26H, TYR63H, TYR66H, TYR67H, TYR91G, VAL10G, VAL24G, VAL27H, VAL85H, VAL97G, VAL9H
• I-J: ALA15J, ALA235I, ALA245I, ARG12J, ARG185I, ARG201I, ARG20I, ARG233I, ARG3J, ARG47I, ARG8I, ARG97J, ASN24J, ASP121I, ASP231I, ASP237I, ASP34J, ASP36I, ASP53J, ASP59J, ASP90I, ASP96J, ASP98J, CYS25J, GLN23I, GLN241I, GLN2J, GLN31I, GLN33I, GLN45I, GLN8J, GLN95I, GLU13I, GLU228I, GLU96I, GLY114I, GLY119I, GLY206I, GLY236I, GLY238I, GLY34I, HIS112I, HIS13J, HIS187I, HIS190I, HIS31J, HIS51J, HIS84J, HIS92I, ILE11I, ILE123I, ILE124I, ILE1J, ILE22I, ILE35J, ILE7J, ILE9I, LEU115I, LEU205I, LEU54J, LEU64J, LEU65J, LEU94I, LYS191I, LYS242I, LYS58J, LYS5I, LYS6J, MET12I, MET99J, PHE22J, PHE240I, PHE30J, PHE35I, PHE56J, PHE62J, PHE7I, PHE98I, PRO14I, PRO14J, PRO230I, PRO234I, PRO32J, SER11J, SER25I, SER28J, SER29I, SER33J, SER52J, SER55J, SER57J, SER61J, THR116I, THR189I, THR232I, THR239I, THR6I, THR86J, THR93I, TRP203I, TRP243I, TRP60J, TRP95J, TYR10J, TYR113I, TYR117I, TYR118I, TYR120I, TYR122I, TYR26I, TYR26J, TYR63J, TYR66J, TYR67J, TYR91I, VAL10I, VAL24I, VAL27J, VAL85J, VAL97I, VAL9J