3DMM

crystal structure of the cd8 alpha beta/h-2dd complex

• Total interactions analyzed: 10
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-P
  • Int. Res.: 87
  • Norm. En. per Res.: -5.0984
• 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-B	-42.0327	-55.64	-351.865	-449.5377	129	15	1	13169	4	36	38
A-P	-71.9479	-44.2949	-327.321	-443.5638	87	21	3	10525	5	16	18
A-C	-6.4896	-31.3559	-102.501	-140.3465	53	6	0	4123	2	10	9
A-D	-7.5197	2.607	-57.453	-62.3658	57	1	0	2685	0	25	14
B-C	0.0	0.0	-0.0102	-0.0102	6	0	0	4	0	2	2
B-D	0.0	-0.9214	-0.2626	-1.1839	7	0	0	87	0	2	2
C-D	-26.5008	-13.0998	-266.508	-306.1086	98	23	10	10700	1	6	11

Interface residues

• A-B: ALA117A, ALA11A, ALA125A, ALA205A, ALA236A, ALA66B, ALA99A, ARG111A, ARG12B, ARG14A, ARG193A, ARG202A, ARG21A, ARG234A, ARG35A, ARG48A, ARG6A, ARG97B, ASN21B, ASN24B, ASN30A, ASP102A, ASP119A, ASP122A, ASP183A, ASP238A, ASP37A, ASP39A, ASP53B, ASP59B, ASP96B, ASP98B, CYS121A, CYS25B, GLN115A, GLN242A, GLN29B, GLN2B, GLN6B, GLN87A, GLN8B, GLN96A, GLU229A, GLU232A, GLU24A, GLU32A, GLU50B, GLY100A, GLY112A, GLY120A, GLY207A, GLY237A, GLY239A, HIS13B, HIS188A, HIS191A, HIS192A, HIS31B, HIS34B, HIS67B, HIS93A, ILE124A, ILE1B, ILE22B, ILE64B, ILE7B, LEU206A, LEU230A, LEU65B, LEU95A, LYS186A, LYS243A, LYS3B, LYS58B, MET0B, MET23A, MET54B, MET98A, MET99B, PHE116A, PHE208A, PHE241A, PHE30B, PHE56B, PHE62B, PHE8A, PRO14B, PRO15B, PRO235A, PRO32B, PRO33B, SER11B, SER246A, SER38A, SER4A, SER52B, SER55B, SER57B, SER61B, SER92A, THR10A, THR190A, THR200A, THR233A, THR240A, THR28B, THR94A, TRP114A, TRP204A, TRP244A, TRP60B, TRP95B, TRP97A, TYR10B, TYR113A, TYR118A, TYR123A, TYR209A, TYR22A, TYR26B, TYR27A, TYR63B, TYR7A, VAL12A, VAL231A, VAL25A, VAL27B, VAL9A, VAL9B
• A-P: ALA11A, ALA139A, ALA140A, ALA150A, ALA152A, ALA153A, ALA67A, ALA6P, ALA81A, ALA99A, ARG144A, ARG155A, ARG170A, ARG1P, ARG5P, ARG62A, ARG65A, ARG66A, ARG6A, ARG75A, ARG79A, ARG83A, ASN70A, ASP156A, ASP77A, CYS164A, GLN72A, GLN96A, GLU148A, GLU163A, GLU166A, GLU24A, GLU55A, GLU58A, GLU63A, GLU71A, GLY100A, GLY151A, GLY26A, GLY2P, GLY4P, GLY69A, ILE10P, ILE124A, ILE142A, ILE52A, LEU160A, LEU168A, LEU5A, LEU78A, LEU82A, LEU95A, LYS146A, LYS68A, MET98A, PHE116A, PHE33A, PHE74A, PHE7P, PHE8A, PRO3P, SER73A, THR143A, THR80A, THR9P, TRP114A, TRP133A, TRP147A, TRP167A, TRP97A, TYR113A, TYR118A, TYR123A, TYR159A, TYR171A, TYR22A, TYR45A, TYR59A, TYR7A, TYR84A, TYR85A, VAL25A, VAL28A, VAL34A, VAL76A, VAL8P, VAL9A
• A-C: ALA57C, ARG194A, ARG202A, ASN107C, ASN220A, ASN61C, ASP198A, CYS36C, GLN226A, GLN34C, GLU196A, GLU222A, GLU223A, GLU227A, GLU229A, GLY221A, GLY35C, HIS60C, ILE105C, LEU219A, LEU224A, LEU39C, LYS256A, LYS62C, MET110C, MET228A, MET56C, PHE52C, PRO250A, SER103C, SER106C, SER108C, SER246A, SER31C, SER33C, SER37C, SER58C, SER59C, THR200A, THR225A, THR64C, TRP244A, TRP38C, TYR257A, TYR55C, VAL104C, VAL109C, VAL199A, VAL247A, VAL248A, VAL249A, VAL32C, VAL54C
• A-D: ALA211A, ALA245A, ARG111A, ARG6A, ARG77D, ARG78D, ASN220A, ASN30A, ASP102A, ASP212A, GLN218A, GLN226A, GLU128A, GLU21D, GLU222A, GLU223A, GLU227A, GLU229A, GLU232A, GLU262A, GLU264A, GLY100D, GLY221A, HIS263A, ILE213A, ILE25D, LEU110A, LEU215A, LEU224A, LEU230A, LEU28D, LYS103D, LYS23D, LYS243A, LYS27D, LYS55D, MET104D, MET228A, PRO102D, SER101D, SER246A, SER26D, SER30D, SER52D, SER53D, SER54D, THR214A, THR216A, THR225A, THR233A, THR29D, THR98D, TRP217A, TYR113A, TYR32D, VAL247A, VAL99D
• B-C: GLN6B, GLU67C, LYS3B, LYS68C, SER71C, THR4B
• B-D: ARG77D, ASP59B, GLN29B, ILE25D, LYS23D, LYS58B, SER57B
• C-D: ALA49D, ALA4C, ALA57C, ALA97D, ARG35D, ARG37D, ASN107C, ASP42D, ASP66C, CYS102C, CYS36C, CYS96D, GLN34C, GLN38D, GLN3D, GLN41C, GLN49C, GLU36D, GLU46D, GLU61D, GLU67C, GLY100D, GLY107D, GLY109D, GLY35C, GLY56D, GLY60D, ILE105C, ILE2D, ILE31D, ILE63C, LEU1D, LEU34D, LEU39C, LEU47C, LEU48D, LEU58D, LYS103D, LYS111D, LYS12C, LYS43D, LYS55D, LYS62C, LYS68C, MET104D, MET110C, MET56C, PHE101C, PHE106D, PHE112C, PHE40C, PHE45D, PHE47D, PHE52C, PHE93D, PHE95D, PRO102D, PRO117C, PRO48C, PRO50C, SER101D, SER103C, SER106C, SER108C, SER113C, SER114C, SER30D, SER37C, SER50D, SER52D, SER54D, SER6D, THR108D, THR110D, THR51C, THR64C, THR98D, TRP33D, TRP38C, TRP51D, TRP65C, TYR100C, TYR111C, TYR32D, TYR44D, TYR55C, TYR59D, TYR94D, TYR99C, VAL104C, VAL105D, VAL109C, VAL115C, VAL116C, VAL53C, VAL54C, VAL57D, VAL99D