3FDM

alpha/beta foldamer in complex with bcl-xl

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 64
  • Norm. En. per Res.: -4.7339
• 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	-84.4453	-151.8157	-609.259	-845.52	180	26	22	24027	12	40	32
A-C	0.0	-16.2544	-4.0426	-20.297	16	0	0	387	0	12	10
A-D	-22.9967	-64.735	-215.24	-302.9717	64	4	11	7172	6	12	11
B-E	-15.3765	-37.0436	-188.438	-240.8581	63	8	9	6461	4	13	11
C-D	-21.4672	-21.0835	-18.3995	-60.9502	13	2	0	805	2	7	5
C-F	-11.5292	-31.2011	-174.882	-217.6123	62	2	8	6344	2	13	11

Interface residues

• A-B: ALA142A, ALA142B, ALA149A, ALA149B, ALA167A, ALA167B, ALA168A, ALA168B, ALA171A, ALA171B, ALA84A, ALA84B, ALA85A, ALA85B, ALA89A, ALA89B, ALA93A, ALA93B, ARG102A, ARG102B, ARG165A, ARG165B, ARG6A, ARG6B, ARG91A, ARG91B, ASN175A, ASN175B, ASN5A, ASN5B, ASP11A, ASP11B, ASP156A, ASP156B, ASP176A, ASP176B, ASP95A, ASP95B, CYS151A, CYS151B, GLN160A, GLN160B, GLN183A, GLN183B, GLN19A, GLN19B, GLN26A, GLN26B, GLN3A, GLN3B, GLN88A, GLN88B, GLU153A, GLU153B, GLU158A, GLU158B, GLU179A, GLU179B, GLU7A, GLU7B, GLU92A, GLU92B, GLU96A, GLU96B, GLU98A, GLU98B, GLY147A, GLY147B, GLY148A, GLY148B, GLY21A, GLY21B, GLY94A, GLY94B, HIS177A, HIS177B, ILE140A, ILE140B, ILE166A, ILE166B, ILE182A, ILE182B, LEU13A, LEU13B, LEU150A, LEU150B, LEU162A, LEU162B, LEU174A, LEU174B, LEU178A, LEU178B, LEU17A, LEU17B, LEU8A, LEU8B, LEU90A, LEU90B, LEU99A, LEU99B, LYS157A, LYS157B, LYS16A, LYS16B, LYS20A, LYS20B, LYS87A, LYS87B, MET170A, MET170B, MET1A, MET1B, MET83A, MET83B, PHE105B, PHE123A, PHE123B, PHE12A, PHE12B, PHE143A, PHE143B, PHE144A, PHE144B, PHE146A, PHE146B, PHE191A, PHE191B, PHE97A, PHE97B, PRO180A, PRO180B, SER0A, SER0B, SER145A, SER145B, SER14A, SER14B, SER154A, SER154B, SER164A, SER164B, SER18A, SER18B, SER23A, SER23B, SER25A, SER25B, SER2A, SER2B, SER4A, SER4B, THR172A, THR172B, TRP137A, TRP169A, TRP169B, TRP188A, TRP188B, TRP24A, TRP24B, TYR15A, TYR15B, TYR173A, TYR173B, TYR22A, TYR22B, VAL10A, VAL10B, VAL141A, VAL141B, VAL152A, VAL152B, VAL155A, VAL155B, VAL163A, VAL163B, VAL86A, VAL86B, VAL9A, VAL9B
• A-C: ALA104A, ARG102C, ARG103A, ARG103C, ASP107A, ASP107C, ASP156C, GLN111A, HIS113A, PHE105A, SER106A, SER106C, SER110A, SER110C, THR109C, VAL152C
• A-D: ALA104A, ALA12D, ALA142A, ALA149A, ALA2D, ALA89A, ALA93A, ARG100A, ARG102A, ARG132A, ARG139A, ARG15D, ARG4D, ASN128A, ASN136A, ASN14D, ASN197A, ASN198A, ASP107A, ASP11D, ASP133A, ASP95A, GLN111A, GLU129A, GLU193A, GLU92A, GLU96A, GLU98A, GLY10D, GLY134A, GLY138A, GLY147A, GLY196A, GLY94A, ILE140A, LEU108A, LEU112A, LEU130A, LEU194A, LEU6D, LEU90A, LEU99A, LYS8D, PHE105A, PHE131A, PHE13D, PHE143A, PHE144A, PHE146A, PHE191A, PHE97A, SER106A, SER110A, SER145A, THR109A, THR190A, TRP137A, TRP181A, TYR101A, TYR195A, VAL126A, VAL127A, VAL135A, VAL141A
• B-E: ALA104B, ALA12E, ALA142B, ALA149B, ALA2E, ALA89B, ALA93B, ARG100B, ARG103B, ARG132B, ARG139B, ARG15E, ARG4E, ASN136B, ASN14E, ASN197B, ASP107B, ASP11E, ASP133B, ASP95B, GLN111B, GLU129B, GLU193B, GLU92B, GLU96B, GLU98B, GLY10E, GLY134B, GLY138B, GLY147B, GLY196B, GLY94B, ILE140B, LEU108B, LEU112B, LEU130B, LEU194B, LEU6E, LEU90B, LEU99B, LYS8E, PHE105B, PHE131B, PHE13E, PHE143B, PHE144B, PHE146B, PHE191B, PHE97B, SER106B, SER110B, SER145B, THR109B, THR190B, TRP137B, TRP181B, TYR101B, TYR195B, VAL126B, VAL127B, VAL135B, VAL141B, VAL192B
• C-D: ALA2D, ARG4D, ASP156C, GLN160C, GLU153C, GLU158C, LYS157C, LYS8D, MET159C, SER154C, THR109C, VAL152C, VAL155C
• C-F: ALA104C, ALA12F, ALA142C, ALA149C, ALA2F, ALA89C, ALA93C, ARG100C, ARG103C, ARG132C, ARG139C, ARG15F, ARG4F, ASN136C, ASN14F, ASN197C, ASN198C, ASP107C, ASP11F, ASP133C, ASP95C, GLN111C, GLU129C, GLU193C, GLU92C, GLU96C, GLU98C, GLY10F, GLY134C, GLY138C, GLY147C, GLY196C, GLY94C, ILE140C, LEU108C, LEU112C, LEU130C, LEU194C, LEU6F, LEU90C, LEU99C, LYS8F, PHE105C, PHE13F, PHE143C, PHE144C, PHE146C, PHE191C, PHE97C, SER106C, SER110C, SER145C, THR109C, THR190C, TRP137C, TRP181C, TYR101C, TYR195C, VAL126C, VAL127C, VAL135C, VAL141C