3RDZ

crystal structure of rbti-trypsin complex at 2.26 angstrom resolution

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 92
  • Norm. En. per Res.: -4.1421
• Hub Node: A(3)

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-C	-60.3546	-53.7937	-254.068	-368.2163	92	17	2	8725	5	14	16
A-B	-15.6231	0.0	-84.8317	-100.4548	46	12	0	3634	0	0	1
A-D	0.0	0.0	-0.0711	-0.0711	8	0	0	45	0	0	2
C-B	0.0	0.0	-0.0018	-0.0018	3	0	0	2	0	0	0
B-D	-73.6586	-60.0683	-247.344	-381.0709	92	21	2	8682	5	14	15

Interface residues

• A-C: ALA169A, ALA181A, ALA216A, ALA42C, ALA56A, ARG33C, ARG45C, ARG48C, ARG51C, ASN141A, ASN74A, ASN97A, ASP102A, ASP189A, ASP194A, ASP46C, ASP50C, ASP64C, CYS180A, CYS191A, CYS215A, CYS43A, CYS49C, CYS4C, CYS59A, GLN173A, GLN192A, GLN217A, GLN3C, GLN8C, GLU39C, GLU9C, GLY140A, GLY146A, GLY182A, GLY193A, GLY196A, GLY197A, GLY212A, GLY214A, GLY222A, GLY39A, GLY40C, GLY44A, HIS41A, HIS58A, ILE136A, ILE19A, ILE73A, LEU156A, LEU36A, LEU37C, LEU47C, LEU99A, LYS143A, LYS188A, LYS220A, LYS61A, MET69C, PHE42A, PHE55C, PRO150A, PRO221A, PRO44C, SER144A, SER145A, SER148A, SER190A, SER195A, SER210A, SER213A, SER38A, SER41C, SER5C, SER96A, THR147A, THR65C, TRP139A, TRP211A, TRP53C, TYR149A, TYR170A, TYR224A, TYR40A, TYR60A, TYR94A, VAL209A, VAL20A, VAL223A, VAL43C, VAL67C, VAL68C
• A-B: ALA169A, ASN100A, ASN100B, ASN101A, ASN101B, ASN177A, ASN177B, ASN95A, ASN95B, ASN97A, ASN97B, CYS166A, GLN173A, GLN173B, GLY172A, GLY172B, HIS91B, ILE174A, ILE174B, LEU99A, LEU99B, LYS167A, LYS167B, MET178A, MET178B, PRO171A, PRO171B, PRO92B, SER164A, SER165A, SER168A, SER176A, SER176B, SER93B, SER96A, SER96B, THR175A, THR175B, THR98A, THR98B, TRP211A, TRP211B, TYR170A, TYR170B, TYR94B, VAL90B
• A-D: ALA42D, ARG33D, ASP163A, LEU37D, LYS167A, PRO38D, SER176A, SER41D
• C-B: GLU58C, PRO38C, SER176B
• B-D: ALA169B, ALA181B, ALA216B, ALA42D, ALA56B, ARG33D, ARG45D, ARG48D, ARG51D, ASN141B, ASN97B, ASP102B, ASP189B, ASP194B, ASP46D, ASP50D, ASP64D, CYS180B, CYS191B, CYS215B, CYS43B, CYS49D, CYS4D, CYS59B, GLN173B, GLN192B, GLN217B, GLN3D, GLN8D, GLU39D, GLU9D, GLY140B, GLY146B, GLY182B, GLY193B, GLY196B, GLY197B, GLY212B, GLY214B, GLY222B, GLY39B, GLY40D, GLY44B, HIS41B, HIS58B, ILE136B, ILE174B, ILE19B, ILE35D, ILE73B, LEU156B, LEU36B, LEU37D, LEU47D, LEU99B, LYS188B, LYS220B, LYS61B, MET69D, PHE42B, PHE55D, PRO150B, PRO221B, PRO38D, PRO44D, SER144B, SER145B, SER148B, SER190B, SER195B, SER210B, SER213B, SER38B, SER41D, SER5D, SER96B, THR147B, TRP139B, TRP211B, TRP53D, TYR149B, TYR170B, TYR224B, TYR40B, TYR60B, TYR94B, VAL209B, VAL20B, VAL223B, VAL43D, VAL67D, VAL68D