1PY1

complex of gga1-vhs domain and beta-secretase c-terminal phosphopeptide

• Total interactions analyzed: 28
• Total true interactions: 11
• Strongest Interaction:
  • Chains: D-H
  • Int. Res.: 37
  • Norm. En. per Res.: -5.9173
• 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-B	-31.3844	31.734	-144.038	-143.6885	76	12	0	6226	0	27	24
A-E	-56.8155	-35.9077	-129.983	-222.7063	38	14	4	4559	2	10	11
A-F	0.0	0.0	-0.004	-0.004	2	0	0	4	0	2	1
B-C	0.0	0.0	-0.1088	-0.1088	8	0	0	65	0	0	3
B-E	0.0	0.0	-0.0137	-0.0137	2	0	0	12	0	2	0
B-F	-55.8082	-28.6625	-123.076	-207.5467	37	10	4	4431	1	15	12
C-D	-38.3427	31.407	-148.755	-155.6908	79	7	0	6189	0	27	24
C-G	-45.194	-27.9751	-129.325	-202.4941	36	6	4	4626	1	7	10
C-H	0.0	0.0	-0.0173	-0.0173	2	0	0	12	0	2	0
D-G	0.0	0.0	-0.0094	-0.0094	2	0	0	10	0	1	0
D-H	-50.8257	-42.5861	-125.53	-218.9418	37	8	5	4470	2	11	13

Interface residues

• A-B: ALA12A, ALA12B, ALA47B, ALA52A, ALA52B, ALA63A, ALA63B, ARG106A, ARG106B, ARG16A, ARG16B, ARG49A, ARG49B, ARG89A, ARG89B, ASN15A, ASN15B, ASN19A, ASN19B, GLN56A, GLN56B, GLN59A, GLN59B, GLU11A, GLU11B, GLU60A, GLU60B, GLU62A, GLU62B, GLU8A, GLU93A, GLU93B, HIS53A, HIS53B, ILE14A, ILE14B, ILE55A, ILE55B, LEU103A, LEU103B, LEU10A, LEU10B, LEU21A, LEU21B, LEU46A, LEU46B, LEU50A, LEU50B, LEU51A, LEU51B, LYS54A, LYS54B, LYS96A, LYS96B, PHE33B, PHE90A, PHE90B, PRO20A, PRO20B, PRO45A, PRO58A, PRO58B, PRO7B, SER105A, SER108A, SER57A, SER57B, THR107A, THR18A, THR18B, THR48A, THR48B, THR9A, TRP61A, TYR102A, TYR102B
• A-E: ALA133A, ALA135A, ARG89A, ASN92A, ASP2E, ASP3E, ASP83A, GLN137A, GLN142A, GLN56A, GLU134A, GLU84A, GLU93A, GLY86A, ILE132A, ILE144A, ILE4E, ILE95A, LEU103A, LEU139A, LEU6E, LEU7E, LEU91A, LEU94A, LYS101A, LYS131A, LYS141A, LYS87A, LYS8E, LYS96A, MET138A, PHE88A, PHE90A, SER99A, TYR102A, TYR136A, VAL97A, VAL98A
• A-F: ARG106A, ILE4F
• B-C: GLU128B, LYS140C, PRO127B, PRO127C, THR123C, TYR120C, VAL124C, VAL130B
• B-E: ARG106B, ILE4E
• B-F: ALA133B, ALA135B, ARG89B, ASN92B, ASP2F, ASP3F, ASP83B, GLN137B, GLN142B, GLN56B, GLU134B, GLU84B, GLU93B, GLY86B, ILE132B, ILE4F, ILE95B, LEU103B, LEU139B, LEU6F, LEU7F, LEU91B, LEU94B, LYS101B, LYS131B, LYS141B, LYS87B, LYS8F, LYS96B, MET138B, PHE88B, PHE90B, SER99B, TYR102B, TYR136B, VAL97B, VAL98B
• C-D: ALA12C, ALA12D, ALA47C, ALA52C, ALA52D, ALA63C, ALA63D, ARG106C, ARG106D, ARG16C, ARG16D, ARG49C, ARG49D, ARG89C, ARG89D, ASN15C, ASN15D, ASN19C, ASN19D, GLN56C, GLN56D, GLN59C, GLN59D, GLU11C, GLU11D, GLU60C, GLU60D, GLU62C, GLU62D, GLU8C, GLU8D, GLU93C, GLU93D, HIS53C, HIS53D, ILE14C, ILE14D, ILE55C, ILE55D, LEU103C, LEU103D, LEU10C, LEU10D, LEU21C, LEU21D, LEU46C, LEU46D, LEU50C, LEU50D, LEU51C, LEU51D, LYS54C, LYS54D, LYS96C, LYS96D, PHE33C, PHE33D, PHE90C, PHE90D, PRO20C, PRO20D, PRO45D, PRO58C, PRO58D, SER105C, SER105D, SER108C, SER57C, SER57D, THR107C, THR107D, THR18C, THR18D, THR48C, THR48D, TRP61C, TRP61D, TYR102C, TYR102D
• C-G: ALA133C, ALA135C, ARG89C, ASN92C, ASP3G, ASP83C, GLN137C, GLN142C, GLU134C, GLU84C, GLU93C, GLY86C, ILE132C, ILE144C, ILE4G, ILE95C, LEU103C, LEU139C, LEU6G, LEU7G, LEU91C, LEU94C, LYS101C, LYS131C, LYS141C, LYS87C, LYS8G, LYS96C, MET138C, PHE88C, PHE90C, SER99C, TYR102C, TYR136C, VAL97C, VAL98C
• C-H: ARG106C, ILE4H
• D-G: ARG106D, ILE4G
• D-H: ALA133D, ALA135D, ARG89D, ASN92D, ASP2H, ASP3H, ASP83D, GLN137D, GLN142D, GLN56D, GLU134D, GLU84D, GLU93D, GLY86D, ILE144D, ILE4H, ILE95D, LEU103D, LEU139D, LEU6H, LEU7H, LEU91D, LEU94D, LYS101D, LYS131D, LYS141D, LYS87D, LYS8H, LYS96D, MET138D, PHE88D, PHE90D, PRO45D, SER99D, TYR102D, TYR136D, VAL97D