3R2X

crystal structure of the de novo designed binding protein hb36.3 in complex the the 1918 influenza virus hemagglutinin

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 55
  • Norm. En. per Res.: -1.9058
• Hub Node: A(2)

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	-217.1491	-34.8328	-27.6461	-279.6281	225	40	29	29725	5	47	40
A-C	-13.5767	-15.984	-49.0275	-78.5883	43	2	1	2281	1	6	3
B-C	0.0	0.0	-104.817	-104.817	55	15	4	5416	0	5	5

Interface residues

• A-B: ALA130B, ALA19A, ALA317A, ALA35B, ALA36B, ALA44B, ALA5B, ALA65B, ALA7B, ALA96B, ARG106B, ARG109A, ARG116B, ARG153B, ARG310A, ARG315A, ARG321A, ASN104B, ASN114B, ASN117B, ASN135B, ASN20A, ASN21A, ASN28B, ASN296A, ASN322A, ASN33A, ASN41A, ASN50B, ASN53B, ASN60B, ASN71B, ASN72B, ASN95B, ASP104A, ASP109B, ASP112B, ASP11A, ASP11A5, ASP145B, ASP19B, ASP27A, ASP37B, ASP85B, ASP86B, ASP90B, CB6.38195-6.79451, CB6.9514229.03969, CB7.2072320.16471, CB7.76165-14.16513, CB8.44715-3.19345, CB8.956109.19987, CYS137B, CYS144B, CYS148B, CYS14A, CYS281A, CYS305A, GLN27B, GLN282A, GLN295A, GLN30B, GLN62B, GLU103B, GLU105B, GLU106A, GLU107A, GLU110A, GLU11B, GLU120B, GLU132B, GLU139B, GLU29B, GLU304A, GLU31A, GLU57B, GLU69B, GLU74B, GLU78B, GLU89A, GLU97B, GLY12B, GLY136B, GLY13B, GLY16A, GLY16B, GLY1B, GLY20B, GLY23B, GLY264A, GLY266A, GLY303A, GLY319A, GLY31B, GLY33B, GLY67B, GLY87B, GLY8B, HIS111B, HIS142B, HIS18A, HIS25B, HIS26B, HIS298A, HIS38A, ILE103A, ILE10B, ILE133B, ILE13A, ILE15A, ILE18B, ILE267A, ILE268A, ILE302A, ILE323A, ILE45B, ILE48B, ILE56B, ILE66A, ILE6B, ILE87A, ILE91B, LEU101B, LEU102B, LEU108B, LEU118B, LEU126B, LEU292A, LEU2B, LEU30A, LEU314A, LEU320A, LEU42A, LEU43A, LEU54A, LEU73B, LEU89B, LEU98B, LEU99B, LYS121B, LYS123B, LYS131B, LYS143B, LYS280A, LYS307A, LYS313A, LYS32A, LYS51B, LYS54A, LYS58B, LYS68B, LYS82B, MET149B, MET17B, MET316A, MET59B, PHE110B, PHE138B, PHE140B, PHE294A, PHE63B, PHE70B, PHE88B, PHE9B, PRO284A, PRO293A, PRO299A, PRO306A, PRO324A, SER113A, SER114A, SER22A, SER264A, SER265A, SER290A, SER291A, SER311A, SER32B, SER39A, SER40B, SER54B, THR107B, THR12A, THR15B, THR25A, THR269A, THR283A, THR28A, THR301A, THR312A, THR318A, THR35A, THR37A, THR41B, THR49B, THR61B, THR64B, THR93B, TRP14B, TRP21B, TRP92B, TYR105A, TYR119B, TYR141B, TYR17A, TYR22B, TYR24B, TYR308A, TYR34B, TYR86A, TYR94B, VAL100B, VAL115B, VAL122B, VAL152B, VAL26A, VAL29A, VAL300A, VAL309A, VAL34A, VAL36A, VAL40A, VAL52B, VAL55B, VAL66B
• A-C: ALA317A, ALA37C, ALA62C, ARG315A, ARG54C, ASN20A, ASN21A, ASN289A, ASN41A, ASN64C, ASP50C, GLU34C, GLU36C, GLY319A, HIS18A, HIS38A, ILE58C, LEU292A, LEU320A, LEU42A, LEU43A, LEU51C, LYS280A, MET316A, MET53C, MET56C, PHE294A, PHE49C, PHE61C, PHE63C, PRO293A, SER22A, SER290A, SER291A, SER39A, SER47C, THR318A, THR37A, TRP57C, TYR59C, VAL33C, VAL40A, VAL60C
• B-C: ALA36B, ALA44B, ALA48C, ALA52C, ALA62C, ALA72C, ARG65C, ARG77C, ASN43B, ASN50B, ASN53B, ASN64C, ASP19B, ASP46B, ASP50C, GLN38B, GLN42B, GLN73C, GLU46C, GLU57B, GLY20B, GLY47B, HIS111B, HIS71C, ILE18B, ILE45B, ILE48B, ILE56B, ILE67C, LYS51B, LYS58B, MET17B, MET53C, MET56C, MET59B, PHE24C, PHE49C, PHE61C, PHE63C, PHE69C, PRO66C, PRO68C, PRO70C, SER47C, SER54B, THR41B, THR49B, THR61B, TRP21B, TRP57C, TYR22B, TYR59C, VAL52B, VAL55B, VAL60C