3KMV

crystal structure of cbm42a from clostridium thermocellum

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 43
  • Norm. En. per Res.: -3.0386
• Hub Node: C(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	-27.5898	-0.2604	-102.808	-130.6582	43	3	0	3804	0	5	6
A-F	-11.0816	8.3544	-92.1468	-94.874	42	1	0	3417	0	5	3
B-C	-23.2584	-0.2028	-98.4201	-121.8813	41	2	0	3579	0	5	6
C-D	-10.0044	8.4542	-93.43	-94.9802	40	4	0	3520	0	5	3
C-E	-21.1897	52.8144	-144.77	-113.1453	56	6	1	4798	0	9	16
C-H	0.0	0.0	-0.1981	-0.1981	5	0	0	42	0	0	0
D-H	0.0	-3.7319	-16.0683	-19.8002	17	0	0	734	0	2	4
E-H	0.0	3.1483	-54.1521	-51.0038	49	0	0	3482	0	6	5
F-G	-23.2543	50.5775	-148.571	-121.2478	57	6	1	5121	0	9	16
F-H	0.0	2.082	-58.1031	-56.0211	46	1	0	3116	0	4	4

Interface residues

• A-B: ALA101B, ALA51A, ALA89A, ARG71A, ASN52A, ASN82A, ASP102B, ASP55B, ASP83A, GLN109B, GLU90A, GLY49A, GLY54A, GLY54B, GLY56B, GLY84A, GLY99B, ILE106B, ILE143B, ILE96B, LEU50A, LEU87A, LYS95B, PHE108B, PHE88A, PHE94B, PRO103B, PRO48A, PRO98B, SER104B, SER107B, SER53A, SER86A, THR85A, THR93A, THR9B, TYR105B, TYR111A, TYR117B, TYR57A, TYR57B, VAL58B, VAL97B
• A-F: ALA51F, ARG116F, ARG24A, ARG71F, ASN112F, ASN35A, ASN52F, ASN64A, ASN74F, ASP41A, GLN109F, GLN43A, GLU129F, GLU39A, GLU90F, GLY67A, HIS25A, HIS72F, LEU87F, LYS10A, LYS81A, MET40A, PHE113F, PHE28A, PRO114F, PRO38A, PRO66A, SER110F, SER62A, SER73F, SER86F, SER91F, THR115F, THR37A, THR93F, TYR111F, TYR57F, TYR65A, TYR68A, TYR75F, VAL36A, VAL63A
• B-C: ALA101C, ALA51B, ALA89B, ARG71B, ASN52B, ASN82B, ASP102C, ASP55C, ASP83B, GLN109C, GLU90B, GLY49B, GLY54B, GLY54C, GLY56C, GLY84B, GLY99C, ILE106C, ILE143C, ILE96C, LEU50B, LEU87B, LYS95C, PHE88B, PHE94C, PRO103C, PRO48B, PRO98C, SER104C, SER107C, SER53B, SER86B, THR85B, THR93B, TYR105C, TYR111B, TYR117C, TYR57B, TYR57C, VAL58C, VAL97C
• C-D: ALA51D, ARG116D, ARG24C, ASN112D, ASN35C, ASN52D, ASN64C, ASN74D, ASP41C, GLN109D, GLN43C, GLU129D, GLU39C, GLU90D, GLY67C, HIS25C, HIS72D, LEU127D, LEU87D, LYS10C, MET40C, PHE113D, PHE28C, PRO114D, PRO38C, PRO66C, SER110D, SER62C, SER86D, SER91D, THR115D, THR37C, THR93D, TYR111D, TYR57D, TYR65C, TYR68C, TYR75D, VAL36C, VAL63C
• C-E: ARG119C, ARG119E, ARG126C, ARG126E, ARG136C, ARG136E, ARG31C, ARG31E, ASN122C, ASN122E, ASN17C, ASN17E, ASN20C, ASN20E, ASN35C, ASN35E, ASP128C, ASP128E, ASP135C, ASP135E, ASP138C, ASP138E, ASP33C, ASP33E, GLN137C, GLN137E, GLU133C, GLU133E, GLU34C, GLU34E, HIS120C, HIS120E, ILE32C, ILE32E, LEU124C, LEU124E, LEU134C, LEU134E, MET21C, MET21E, PRO19C, PRO19E, SER15C, SER15E, THR132C, THR132E, TYR121C, TYR121E, TYR123C, TYR123E, TYR16C, TYR16E, TYR18C, TYR18E, VAL131C, VAL131E
• C-H: ASN35C, GLU34C, PRO48H, PRO7H, SER53H
• D-H: ALA89D, ASN82D, ASN82H, ASP83D, ASP83H, GLY67H, GLY84D, GLY84H, LEU50D, LEU50H, LYS81D, LYS81H, SER86D, THR85D, THR85H, TYR69D, TYR69H
• E-H: ALA26E, ARG24E, ASN27E, ASN35E, ASN64E, ASP102H, ASP33E, ASP41E, ASP55H, GLN43E, GLU34E, GLU39E, GLY49H, GLY54H, GLY56H, GLY99H, HIS25E, ILE106H, ILE143H, ILE8H, ILE96H, LEU46H, LYS10E, LYS12E, LYS142H, LYS95H, MET40E, PHE108H, PHE13H, PRO103H, PRO38E, PRO48H, PRO66E, PRO98H, SER104H, SER107H, SER145H, SER53H, THR37E, THR9H, TYR105H, TYR22E, TYR57H, TYR65E, VAL36E, VAL47H, VAL58H, VAL63E, VAL97H
• F-G: ALA101F, ARG119F, ARG119G, ARG126F, ARG126G, ARG136F, ARG136G, ARG31F, ARG31G, ASN122F, ASN122G, ASN17F, ASN17G, ASN20F, ASN20G, ASN35F, ASN35G, ASP128F, ASP128G, ASP135F, ASP135G, ASP138F, ASP138G, ASP33F, ASP33G, GLN137F, GLN137G, GLU133F, GLU133G, GLU34F, GLU34G, HIS120F, HIS120G, ILE32F, ILE32G, LEU124F, LEU124G, LEU134F, LEU134G, MET21F, MET21G, PRO19F, PRO19G, SER15F, SER15G, THR132F, THR132G, TYR121F, TYR121G, TYR123F, TYR123G, TYR16F, TYR16G, TYR18F, TYR18G, VAL131F, VAL131G
• F-H: ARG24H, ASN27H, ASN35H, ASN52F, ASN64H, ASP55F, GLN43H, GLU34H, GLU39H, GLY49F, GLY54F, GLY56F, GLY99F, ILE106F, ILE143F, ILE96F, LEU46F, LYS10H, LYS12H, LYS142F, LYS95F, MET40H, PHE108F, PHE94F, PRO103F, PRO38H, PRO48F, PRO66H, PRO98F, SER104F, SER107F, SER145F, SER42H, SER53F, SER59F, THR37H, THR9F, TYR105F, TYR22H, TYR57F, TYR65H, VAL36H, VAL47F, VAL58F, VAL63H, VAL97F