1N0E

crystal structure of a cell division and cell wall biosynthesis protein upf0040 from mycoplasma pneumoniae: indication of a novel fold with a possible new conserved sequence motif

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: A-H
  • Int. Res.: 102
  • Norm. En. per Res.: -5.3063
• Hub Node: A(4)

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	-69.101	-99.4749	-387.327	-555.9028	108	24	10	14776	8	35	24
A-C	-18.1047	-3.5349	-43.9583	-65.5979	18	2	0	1503	0	8	4
A-G	-9.6477	-2.0411	-45.9669	-57.6557	17	3	0	1479	0	8	4
A-H	-69.1963	-103.3898	-368.66	-541.2461	102	15	12	13898	8	33	21
B-C	-37.1503	-78.3741	-393.535	-509.0594	118	33	15	15645	8	41	31
B-D	-13.484	-2.6604	-47.5218	-63.6663	18	3	0	1539	0	8	4
B-H	-19.9058	-4.6452	-36.8965	-61.4475	17	2	0	1339	0	8	3
C-D	-62.1268	-100.9333	-375.509	-538.5691	105	22	12	14090	8	35	24
C-E	-6.2277	-2.8704	-42.8106	-51.9087	18	2	0	1470	0	8	4
D-E	-66.901	-102.6459	-369.235	-538.7819	102	16	12	13949	8	33	21
D-F	-12.8845	-4.7141	-31.8868	-49.4854	17	1	0	1255	0	7	3
E-F	-60.941	-99.7988	-385.7	-546.4399	108	21	11	14848	8	36	27
E-G	-19.9852	-2.5931	-40.3814	-62.9597	17	1	0	1478	0	8	4
F-G	-56.7941	-80.0499	-409.75	-546.5941	117	22	15	15623	8	41	29
F-H	-16.088	-3.1453	-45.1645	-64.3978	17	2	0	1492	0	8	4
G-H	-51.0505	-100.0402	-418.563	-569.6537	109	17	12	15465	8	37	27

Interface residues

• A-B: ALA101B, ALA159A, ALA99B, ARG161A, ARG59B, ARG68A, ARG68B, ARG91B, ARG95B, ASN100B, ASN102B, ASN117B, ASN151A, ASN58B, ASN63A, ASN63B, ASN81B, ASP105B, ASP121B, ASP135A, ASP72B, ASP89B, CYS64A, CYS64B, GLN133A, GLN23A, GLN71B, GLN74B, GLN79A, GLN79B, GLN87B, GLU138A, GLU153A, GLU156A, GLU160A, GLU62A, GLU62B, GLU66A, GLU66B, GLU78B, GLY132A, GLY24A, GLY29A, GLY53B, GLY60A, GLY60B, HIS136A, HIS25A, ILE131A, ILE55B, ILE57B, ILE97A, ILE97B, LEU130A, LEU149A, LEU155A, LEU27A, LEU28A, LEU65A, LEU65B, LEU93A, LEU93B, LEU96B, LYS46A, LYS69B, LYS75A, LYS75B, LYS88B, LYS94B, MET162A, MET26A, PHE103B, PHE134A, PHE22A, PHE31A, PHE50A, PHE61A, PHE61B, PHE73B, PHE77B, PHE80A, PHE80B, PHE83A, PHE83B, PHE98B, PRO70B, PRO84B, SER152A, SER154A, SER54B, SER82B, SER85B, THR157A, THR30A, THR86B, THR90B, THR92B, TRP140A, TYR145A, TYR148A, TYR148B, TYR76A, TYR76B, VAL104B, VAL106B, VAL129A, VAL158A, VAL56B
• A-C: ALA159A, ARG161A, ARG91C, ARG95C, ASP89C, GLN87C, GLU156A, GLU160A, LEU155A, LYS88C, MET162A, PRO84C, SER154A, SER85C, THR157A, THR86C, THR90C, VAL158A
• A-G: ALA159G, ARG161G, ARG91A, ARG95A, ASP89A, GLN87A, GLU156G, GLU160G, LEU155G, LYS88A, MET162G, PRO84A, SER85A, THR157G, THR86A, THR90A, VAL158G
• A-H: ALA101A, ALA150H, ALA159H, ALA99A, ARG161H, ARG59A, ARG68A, ARG68H, ARG91A, ARG95A, ASN100A, ASN102A, ASN117A, ASN151H, ASN58A, ASN63A, ASN63H, ASN81A, ASP121A, ASP135H, ASP72A, ASP89A, CYS64A, CYS64H, GLN133H, GLN71A, GLN74A, GLN79H, GLN87A, GLU138H, GLU153H, GLU156H, GLU160H, GLU62A, GLU62H, GLU66A, GLU66H, GLU78A, GLY132H, GLY29H, GLY60A, GLY60H, HIS136H, ILE131H, ILE55A, ILE57A, ILE97A, ILE97H, LEU130H, LEU149H, LEU155H, LEU27H, LEU28H, LEU47H, LEU65A, LEU65H, LEU93A, LEU93H, LEU96A, LYS46H, LYS69A, LYS75A, LYS75H, LYS88A, LYS94A, MET162H, MET26H, PHE103A, PHE134H, PHE31H, PHE50H, PHE61A, PHE61H, PHE73A, PHE77A, PHE80A, PHE80H, PHE83A, PHE83H, PHE98A, PRO70A, PRO84A, SER152H, SER154H, SER82A, SER85A, THR157H, THR30H, THR86A, THR90A, THR90H, THR92A, TRP140H, TYR145H, TYR148A, TYR148H, TYR76A, TYR76H, VAL104A, VAL129H, VAL158H, VAL56A
• B-C: ALA101C, ALA150B, ALA159B, ALA99C, ARG161B, ARG59C, ARG68B, ARG68C, ARG91C, ARG95C, ASN100C, ASN102C, ASN117C, ASN151B, ASN19B, ASN58C, ASN63B, ASN63C, ASN81C, ASP105C, ASP121C, ASP135B, ASP72C, ASP89C, CYS64B, CYS64C, GLN133B, GLN23B, GLN71C, GLN74C, GLN79B, GLN79C, GLN87C, GLU138B, GLU153B, GLU156B, GLU160B, GLU18B, GLU52C, GLU62B, GLU62C, GLU66B, GLU66C, GLU78C, GLY132B, GLY24B, GLY29B, GLY53C, GLY60B, GLY60C, HIS136B, HIS25B, ILE131B, ILE55C, ILE57C, ILE97B, ILE97C, LEU130B, LEU149B, LEU155B, LEU27B, LEU28B, LEU47B, LEU65B, LEU65C, LEU93B, LEU93C, LEU96C, LYS46B, LYS69C, LYS75B, LYS75C, LYS88C, LYS94C, MET162B, MET26B, PHE103C, PHE134B, PHE22B, PHE31B, PHE50B, PHE51C, PHE61B, PHE61C, PHE73C, PHE77C, PHE80B, PHE80C, PHE83B, PHE83C, PHE98C, PRO15B, PRO70C, PRO84C, SER152B, SER154B, SER54C, SER82C, SER85C, THR157B, THR16B, THR30B, THR86C, THR90B, THR90C, THR92C, TRP140B, TYR145B, TYR148B, TYR148C, TYR21B, TYR76B, TYR76C, VAL104C, VAL106C, VAL129B, VAL158B, VAL56C
• B-D: ALA159B, ARG161B, ARG91D, ARG95D, ASP89D, GLN87D, GLU156B, GLU160B, LEU155B, LYS88D, MET162B, PRO84D, SER154B, SER85D, THR157B, THR86D, THR90D, VAL158B
• B-H: ALA159H, ARG161H, ARG91B, ARG95B, ASP89B, GLN87B, GLU156H, GLU160H, LEU155H, LYS88B, MET162H, PRO84B, SER85B, THR157H, THR86B, THR90B, VAL158H
• C-D: ALA101D, ALA150C, ALA159C, ALA99D, ARG161C, ARG59D, ARG68C, ARG68D, ARG91D, ARG95D, ASN100D, ASN102D, ASN117D, ASN151C, ASN58D, ASN63C, ASN63D, ASN81D, ASP121D, ASP135C, ASP72C, ASP72D, ASP89D, CYS64C, CYS64D, GLN133C, GLN71D, GLN74D, GLN79C, GLN79D, GLN87D, GLU138C, GLU153C, GLU156C, GLU160C, GLU62C, GLU62D, GLU66C, GLU66D, GLU78D, GLY132C, GLY29C, GLY60C, GLY60D, HIS136C, ILE131C, ILE55D, ILE57D, ILE97C, ILE97D, LEU130C, LEU149C, LEU155C, LEU27C, LEU28C, LEU47C, LEU65C, LEU65D, LEU93C, LEU93D, LEU96D, LYS46C, LYS69D, LYS75C, LYS75D, LYS88D, LYS94D, MET162C, MET26C, PHE103D, PHE134C, PHE31C, PHE50C, PHE61C, PHE61D, PHE73D, PHE77D, PHE80C, PHE80D, PHE83C, PHE83D, PHE98D, PRO70D, PRO84D, SER152C, SER154C, SER82C, SER82D, SER85D, THR157C, THR30C, THR86D, THR90C, THR90D, THR92D, TRP140C, TYR145C, TYR148C, TYR148D, TYR76C, TYR76D, VAL104D, VAL129C, VAL158C, VAL56D
• C-E: ALA159C, ARG161C, ARG91E, ARG95E, ASP89E, GLN87E, GLU156C, GLU160C, LEU155C, LYS88E, MET162C, PRO84E, SER154C, SER85E, THR157C, THR86E, THR90E, VAL158C
• D-E: ALA101E, ALA150D, ALA159D, ALA99E, ARG161D, ARG59E, ARG68D, ARG68E, ARG91E, ARG95E, ASN100E, ASN102E, ASN117E, ASN151D, ASN58E, ASN63D, ASN63E, ASN81E, ASP121E, ASP135D, ASP72E, ASP89E, CYS64D, CYS64E, GLN133D, GLN71E, GLN74E, GLN79D, GLN87E, GLU138D, GLU153D, GLU156D, GLU160D, GLU62D, GLU62E, GLU66D, GLU66E, GLU78E, GLY132D, GLY29D, GLY60D, GLY60E, HIS136D, ILE131D, ILE55E, ILE57E, ILE97D, ILE97E, LEU130D, LEU149D, LEU155D, LEU27D, LEU28D, LEU47D, LEU65D, LEU65E, LEU93D, LEU93E, LEU96E, LYS46D, LYS69E, LYS75D, LYS75E, LYS88E, LYS94E, MET162D, MET26D, PHE103E, PHE134D, PHE31D, PHE50D, PHE61D, PHE61E, PHE73E, PHE77E, PHE80D, PHE80E, PHE83D, PHE83E, PHE98E, PRO70E, PRO84E, SER152D, SER154D, SER82E, SER85E, THR157D, THR30D, THR86E, THR90D, THR90E, THR92E, TRP140D, TYR145D, TYR148D, TYR148E, TYR76D, TYR76E, VAL104E, VAL129D, VAL158D, VAL56E
• D-F: ALA159D, ARG161D, ARG91F, ARG95F, ASP89F, GLN87F, GLU156D, GLU160D, LEU155D, LYS88F, MET162D, PRO84F, SER85F, THR157D, THR86F, THR90F, VAL158D
• E-F: ALA101F, ALA150E, ALA159E, ALA99F, ARG161E, ARG59F, ARG68E, ARG68F, ARG91F, ARG95F, ASN100F, ASN102F, ASN117F, ASN151E, ASN58F, ASN63E, ASN63F, ASN81F, ASP105F, ASP121F, ASP135E, ASP72F, ASP89F, CYS64E, CYS64F, GLN133E, GLN23E, GLN71F, GLN74F, GLN79E, GLN79F, GLN87F, GLU138E, GLU153E, GLU156E, GLU160E, GLU62E, GLU62F, GLU66E, GLU66F, GLU78F, GLY132E, GLY24E, GLY29E, GLY53F, GLY60E, GLY60F, HIS136E, HIS25E, ILE131E, ILE55F, ILE57F, ILE97E, ILE97F, LEU130E, LEU149E, LEU155E, LEU27E, LEU28E, LEU65E, LEU65F, LEU93E, LEU93F, LEU96F, LYS46E, LYS69F, LYS75E, LYS75F, LYS88F, LYS94F, MET162E, MET26E, PHE103F, PHE134E, PHE22E, PHE31E, PHE50E, PHE61E, PHE61F, PHE73F, PHE77F, PHE80E, PHE80F, PHE83E, PHE83F, PHE98F, PRO70F, PRO84F, SER152E, SER154E, SER54F, SER82F, SER85F, THR157E, THR30E, THR86F, THR90F, THR92F, TRP140E, TYR145E, TYR148E, TYR148F, TYR76E, TYR76F, VAL104F, VAL129E, VAL158E, VAL56F
• E-G: ALA159E, ARG161E, ARG91G, ARG95G, ASP89G, GLN87G, GLU156E, GLU160E, LEU155E, LYS88G, MET162E, PRO84G, SER85G, THR157E, THR86G, THR90G, VAL158E
• F-G: ALA101G, ALA150F, ALA159F, ALA99G, ARG161F, ARG59G, ARG68F, ARG91G, ARG95G, ASN100G, ASN102G, ASN117G, ASN151F, ASN19F, ASN58G, ASN63F, ASN63G, ASN81G, ASP105G, ASP121G, ASP135F, ASP72G, ASP89G, CYS64F, CYS64G, GLN133F, GLN23F, GLN71G, GLN74G, GLN79F, GLN79G, GLN87G, GLU138F, GLU153F, GLU156F, GLU160F, GLU18F, GLU52G, GLU62F, GLU62G, GLU66F, GLU66G, GLU78G, GLY132F, GLY24F, GLY29F, GLY53G, GLY60F, GLY60G, HIS136F, HIS25F, ILE131F, ILE55G, ILE57G, ILE97F, ILE97G, LEU130F, LEU149F, LEU155F, LEU27F, LEU28F, LEU47F, LEU65F, LEU65G, LEU93F, LEU93G, LEU96G, LYS46F, LYS69G, LYS75F, LYS75G, LYS88G, LYS94G, MET162F, MET26F, PHE103G, PHE134F, PHE22F, PHE31F, PHE50F, PHE51G, PHE61F, PHE61G, PHE73G, PHE77G, PHE80F, PHE80G, PHE83F, PHE83G, PHE98G, PRO15F, PRO70G, PRO84G, SER152F, SER154F, SER54G, SER82G, SER85G, THR157F, THR16F, THR30F, THR86G, THR90F, THR90G, THR92G, TRP140F, TYR145F, TYR148F, TYR148G, TYR21F, TYR76F, TYR76G, VAL104G, VAL106G, VAL129F, VAL158F, VAL56G
• F-H: ALA159F, ARG161F, ARG91H, ARG95H, ASP89H, GLN87H, GLU156F, GLU160F, LEU155F, LYS88H, MET162F, PRO84H, SER85H, THR157F, THR86H, THR90H, VAL158F
• G-H: ALA101H, ALA159G, ALA99H, ARG161G, ARG59H, ARG68G, ARG68H, ARG91H, ARG95H, ASN100H, ASN102H, ASN117H, ASN151G, ASN58H, ASN63G, ASN63H, ASN81H, ASP105H, ASP121H, ASP135G, ASP72G, ASP72H, ASP89H, CYS64G, CYS64H, GLN133G, GLN23G, GLN71H, GLN74H, GLN79G, GLN79H, GLN87H, GLU138G, GLU153G, GLU156G, GLU160G, GLU62G, GLU62H, GLU66G, GLU66H, GLU78H, GLY132G, GLY24G, GLY29G, GLY53H, GLY60G, GLY60H, HIS136G, HIS25G, ILE131G, ILE55H, ILE57H, ILE97G, ILE97H, LEU130G, LEU149G, LEU155G, LEU27G, LEU28G, LEU65G, LEU65H, LEU93G, LEU93H, LEU96H, LYS46G, LYS69H, LYS75G, LYS75H, LYS88H, LYS94H, MET162G, MET26G, PHE103H, PHE134G, PHE22G, PHE31G, PHE50G, PHE61G, PHE61H, PHE73H, PHE77H, PHE80G, PHE80H, PHE83G, PHE83H, PHE98H, PRO70H, PRO84H, SER152G, SER154G, SER54H, SER82H, SER85H, THR157G, THR30G, THR86H, THR90G, THR90H, THR92H, TRP140G, TYR145G, TYR148G, TYR148H, TYR76G, TYR76H, VAL104H, VAL129G, VAL158G, VAL56H