3D54

stucture of purlqs from thermotoga maritima

• Total interactions analyzed: 66
• Total true interactions: 24
• Strongest Interaction:
  • Chains: F-G
  • Int. Res.: 114
  • Norm. En. per Res.: -4.6799
• Hub Node: A(6)

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	0.0	0.0	-0.3041	-0.3041	3	0	0	31	0	6	1
A-C	-2.5034	4.424	-93.3882	-91.4675	60	7	5	5143	1	27	28
A-D	-24.6222	-4.8966	-295.695	-325.2138	125	10	4	12393	10	57	41
A-E	0.0	1.1294	-16.1824	-15.053	13	4	0	1117	0	4	4
A-H	0.0	0.0	-0.3894	-0.3894	7	0	0	104	0	3	5
A-I	0.0	66.6392	-51.2807	15.3585	33	2	0	1953	2	30	24
B-C	-101.9286	-70.8874	-365.403	-538.219	116	20	22	16319	7	61	56
B-D	-18.8001	-5.0522	-111.101	-134.9533	58	5	4	5801	1	17	15
C-D	0.0	22.6827	-53.6256	-30.9429	30	2	3	2564	0	9	12
D-E	0.0	0.0	-0.6896	-0.6896	8	0	0	146	0	3	5
D-L	0.0	4.2299	-17.0905	-12.8606	29	6	0	1387	0	19	22
E-F	0.0	0.0	-0.29	-0.29	3	0	0	31	0	6	1
E-G	-3.1604	3.0792	-97.5131	-97.5943	61	6	5	5217	1	27	28
E-H	-34.5144	-41.7136	-310.819	-387.047	127	10	4	12631	10	59	42
F-G	-106.2734	-71.6208	-355.61	-533.5042	114	20	23	16264	7	61	57
F-H	-21.087	-7.6283	-112.45	-141.1653	59	6	5	5828	1	17	15
G-H	0.0	22.3416	-52.8685	-30.5269	30	3	3	2550	0	9	12
H-I	0.0	0.0	-0.0756	-0.0756	2	0	0	9	0	2	0
I-J	0.0	0.0	-0.3095	-0.3095	3	0	0	31	0	6	1
I-K	0.0	1.0886	-88.4814	-87.3928	61	4	5	5021	1	27	27
I-L	-24.8413	-58.6336	-313.407	-396.8818	127	7	4	12632	9	58	40
J-K	-83.9404	-70.7764	-359.606	-514.3228	115	22	22	16348	7	63	57
J-L	-22.6565	-6.932	-115.74	-145.3286	58	5	7	5918	1	18	15
K-L	0.0	26.5456	-58.2078	-31.6622	31	4	3	2680	0	9	13

Interface residues

• A-B: ARG20B, ASP124A, GLU120A
• A-C: ALA181A, ALA214A, ALA77A, ALA85A, ARG13C, ARG17C, ARG184A, ARG20C, ARG267A, ARG26C, ARG302A, ASN15C, ASN71C, ASN82A, ASP124A, ASP185A, ASP18C, ASP211A, GLN208A, GLN282A, GLU22C, GLU268A, GLU283A, GLU30C, GLU75C, GLU79A, GLY121A, GLY180A, GLY183A, GLY210A, HIS304A, ILE207A, ILE78A, LEU205A, LEU305A, LEU306A, LYS204A, LYS38C, PHE213A, PHE307A, PRO19C, PRO212A, PRO269A, PRO72C, PRO75A, PRO80A, SER128A, SER206A, SER281A, THR182A, THR203A, THR23C, TYR125A, TYR12C, TYR81A, VAL16C, VAL209A, VAL27C, VAL73C, VAL74C
• A-D: ALA123A, ALA141D, ALA190D, ALA19D, ALA214A, ALA22D, ARG101A, ARG137D, ARG17D, ARG189D, ARG367A, ARG393A, ARG396A, ARG561A, ASN105D, ASN127A, ASN14D, ASN503A, ASP116A, ASP124A, ASP16D, ASP18D, ASP211A, ASP374A, ASP380A, ASP55D, CYS112D, CYS15D, GLN104D, GLN372A, GLN505A, GLU120A, GLU188D, GLU192D, GLU193D, GLU215A, GLU220A, GLU24D, GLU368A, GLU371A, GLU558A, GLU562A, GLU66D, GLY108D, GLY121A, GLY126A, GLY12D, GLY130A, GLY143D, GLY196D, GLY210A, GLY378A, GLY49D, GLY50D, GLY54D, GLY564A, HIS142D, HIS186D, HIS21D, HIS304A, HIS375A, ILE111D, ILE119A, ILE129A, ILE138D, ILE140D, ILE195D, ILE219A, ILE25D, LEU194D, LEU223A, LEU305A, LEU35D, LYS109D, LYS113D, LYS216A, LYS303A, LYS395A, LYS506A, LYS509A, MET217A, MET376A, MET392A, PHE110D, PHE213A, PHE370A, PHE51D, PRO102A, PRO11D, PRO132A, PRO139D, PRO212A, PRO384A, PRO385A, PRO504A, SER107D, SER128A, SER13D, SER52D, THR103A, THR133A, THR379A, THR381A, TRP114D, TYR10D, TYR125A, TYR20D, TYR32D, TYR373A, TYR53D, TYR563A, TYR56D, TYR81A, VAL115D, VAL131A, VAL191D, VAL209A, VAL369A, VAL377A, VAL382A, VAL383A, VAL391A, VAL507A, VAL62D, VAL9D
• A-E: ARG603A, ARG603E, GLU568A, GLU568E, LEU601A, LEU601E, LYS566A, LYS566E, PRO512A, SER602A, SER602E, THR600A, THR600E
• A-H: ARG587A, GLU131H, GLU134H, GLY133H, LYS132H, LYS135H, LYS514A
• A-I: ARG159A, ARG159I, ARG396A, ARG396I, ASN160A, ASN160I, ASN503A, ASN503I, ASP161A, ASP161I, ASP397A, ASP397I, ASP60A, ASP60I, ASP61A, ASP61I, GLN505A, GLN505I, GLY398A, GLY398I, ILE394A, ILE394I, LEU59A, LEU59I, LYS395A, LYS395I, LYS501A, LYS501I, MET162A, TYR62A, TYR62I, TYR63A, TYR63I
• B-C: ALA51B, ALA51C, ALA57B, ALA57C, ALA64B, ALA64C, ALA7B, ALA7C, ARG20B, ARG26B, ARG29B, ARG29C, ARG40B, ARG40C, ARG80B, ARG80C, ASP9B, ASP9C, CYS65B, CYS65C, GLN11B, GLN11C, GLU25B, GLU25C, GLU31B, GLU31C, GLU48B, GLU48C, GLU50B, GLU50C, GLU52B, GLU52C, GLU59B, GLU59C, GLU66B, GLU66C, GLU67B, GLU67C, GLU76B, GLU78B, GLU78C, GLY21B, GLY21C, GLY33B, GLY33C, GLY42B, GLY42C, HIS46B, HIS46C, ILE24B, ILE24C, ILE45B, ILE45C, ILE60B, ILE60C, ILE8B, ILE8C, LEU28B, LEU28C, LEU34B, LEU34C, LEU39B, LEU39C, LEU3B, LEU3C, LEU41B, LEU41C, LEU47B, LEU47C, LEU68B, LEU68C, LEU69B, LEU69C, LEU82B, LEU82C, LYS32B, LYS32C, LYS37B, LYS37C, LYS38B, LYS38C, LYS43B, LYS43C, LYS56B, LYS56C, LYS5B, LYS5C, LYS62B, LYS62C, LYS63B, LYS63C, MET1B, MET1C, PHE4B, PHE4C, PHE6B, PHE6C, PRO2C, PRO35B, PRO35C, SER44B, SER44C, THR23B, THR23C, VAL10B, VAL10C, VAL27B, VAL27C, VAL36B, VAL36C, VAL49B, VAL49C, VAL61B, VAL61C, VAL79B, VAL79C
• B-D: ALA101D, ALA61D, ALA63D, ALA64B, ALA64D, ARG13B, ARG146D, ARG17B, ARG20B, ARG58D, ARG65D, ASN105D, ASN164D, ASN71B, ASP18B, CYS65B, GLN104D, GLU22B, GLU66B, GLU67B, GLU75B, GLU94D, GLY100D, GLY108D, GLY165D, GLY21B, GLY96D, ILE150D, ILE45B, ILE93D, LEU102D, LEU103D, LEU41B, LEU57D, LEU68B, LEU69B, LEU98D, LYS109D, LYS149D, LYS43B, LYS99D, PHE110D, PHE144D, PRO19B, PRO59D, PRO72B, SER106D, SER107D, THR23B, TYR12B, TYR56D, VAL10B, VAL148D, VAL16B, VAL62D, VAL70B, VAL73B, VAL74B
• C-D: ALA61D, ALA63D, ALA64D, ARG17C, ARG20C, ARG26C, ARG58D, ARG65D, ASP18C, ASP55D, GLU22C, GLU31C, GLU66D, GLY21C, GLY54D, ILE24C, LEU28C, LEU35D, LEU39C, LEU41C, LEU57D, LYS32C, LYS67D, PHE51D, PRO19C, THR23C, TYR53D, TYR56D, VAL27C, VAL62D
• D-E: ARG587E, GLU131D, GLU134D, GLY133D, LYS132D, LYS135D, LYS161D, LYS514E
• D-L: ARG4D, ARG4L, ASP37D, ASP37L, ASP41D, ASP41L, GLU29D, GLU29L, GLY34D, GLY34L, LEU35L, LYS2D, LYS2L, LYS38D, LYS38L, MET1D, MET1L, PRO30D, PRO30L, SER31D, SER31L, TYR20D, TYR20L, TYR32D, TYR32L, TYR42D, TYR42L, VAL33D, VAL33L
• E-F: ARG20F, ASP124E, GLU120E
• E-G: ALA181E, ALA214E, ALA77E, ALA85E, ARG13G, ARG17G, ARG184E, ARG20G, ARG267E, ARG26G, ARG302E, ASN15G, ASN71G, ASN82E, ASP124E, ASP185E, ASP18G, ASP211E, GLN208E, GLN282E, GLU22G, GLU268E, GLU283E, GLU30G, GLU31G, GLU75G, GLU79E, GLY121E, GLY180E, GLY183E, GLY210E, HIS304E, ILE207E, ILE78E, LEU205E, LEU305E, LEU306E, LYS204E, LYS38G, MET217E, PHE213E, PHE307E, PRO19G, PRO212E, PRO72G, PRO75E, PRO80E, SER128E, SER206E, SER281E, THR182E, THR203E, THR23G, TYR125E, TYR12G, TYR81E, VAL16G, VAL209E, VAL27G, VAL73G, VAL74G
• E-H: ALA123E, ALA141H, ALA190H, ALA19H, ALA214E, ALA22H, ARG101E, ARG137H, ARG17H, ARG189H, ARG367E, ARG393E, ARG396E, ARG561E, ASN105H, ASN127E, ASN14H, ASN503E, ASP116E, ASP116H, ASP124E, ASP16H, ASP18H, ASP211E, ASP374E, ASP380E, ASP55H, CYS112H, CYS15H, GLN104H, GLN372E, GLN505E, GLU120E, GLU188H, GLU192H, GLU193H, GLU215E, GLU220E, GLU24H, GLU283E, GLU368E, GLU371E, GLU558E, GLU562E, GLU66H, GLY108H, GLY121E, GLY126E, GLY12H, GLY130E, GLY143H, GLY196H, GLY210E, GLY378E, GLY49H, GLY50H, GLY54H, GLY564E, HIS142H, HIS186H, HIS21H, HIS304E, HIS375E, ILE111H, ILE119E, ILE129E, ILE138H, ILE140H, ILE195H, ILE219E, ILE25H, LEU194H, LEU223E, LEU305E, LEU35H, LYS109H, LYS113H, LYS216E, LYS303E, LYS395E, LYS506E, LYS509E, MET217E, MET376E, MET392E, PHE110H, PHE144H, PHE213E, PHE370E, PHE51H, PRO102E, PRO11H, PRO132E, PRO139H, PRO212E, PRO384E, PRO504E, SER107H, SER128E, SER13H, SER52H, THR103E, THR379E, THR381E, TRP114H, TYR10H, TYR125E, TYR20H, TYR32H, TYR373E, TYR53H, TYR563E, TYR56H, TYR81E, VAL115H, VAL131E, VAL157E, VAL191H, VAL209E, VAL369E, VAL377E, VAL382E, VAL383E, VAL391E, VAL507E, VAL62H, VAL9H
• F-G: ALA51F, ALA51G, ALA57F, ALA57G, ALA64F, ALA64G, ALA7F, ALA7G, ARG20F, ARG26F, ARG29F, ARG29G, ARG40F, ARG40G, ARG80F, ARG80G, ASP9F, ASP9G, CYS65F, CYS65G, GLN11F, GLN11G, GLU25F, GLU25G, GLU31F, GLU31G, GLU48F, GLU48G, GLU50F, GLU50G, GLU52F, GLU52G, GLU59F, GLU59G, GLU66F, GLU66G, GLU67F, GLU67G, GLU76F, GLU78F, GLU78G, GLY21F, GLY21G, GLY33F, GLY33G, GLY42F, GLY42G, HIS46F, HIS46G, ILE24F, ILE24G, ILE45F, ILE45G, ILE60F, ILE60G, ILE8F, ILE8G, LEU28F, LEU28G, LEU34F, LEU34G, LEU39F, LEU39G, LEU3F, LEU3G, LEU41F, LEU41G, LEU47F, LEU47G, LEU68F, LEU68G, LEU69F, LEU69G, LEU82F, LEU82G, LYS32F, LYS32G, LYS37F, LYS37G, LYS38F, LYS38G, LYS43F, LYS43G, LYS56F, LYS56G, LYS5F, LYS5G, LYS62F, LYS62G, LYS63F, LYS63G, MET1G, PHE4F, PHE4G, PHE6F, PHE6G, PRO35F, PRO35G, SER44F, SER44G, THR23F, THR23G, VAL10F, VAL10G, VAL27F, VAL27G, VAL36F, VAL36G, VAL49F, VAL49G, VAL61F, VAL61G, VAL79F, VAL79G
• F-H: ALA101H, ALA61H, ALA63H, ALA64F, ALA64H, ARG13F, ARG146H, ARG17F, ARG20F, ARG58H, ARG65H, ASN105H, ASN164H, ASN71F, ASP167H, ASP18F, CYS65F, GLN104H, GLU22F, GLU66F, GLU67F, GLU75F, GLU94H, GLY100H, GLY108H, GLY165H, GLY21F, GLY96H, ILE150H, ILE45F, ILE93H, LEU102H, LEU103H, LEU41F, LEU57H, LEU68F, LEU69F, LEU98H, LYS109H, LYS149H, LYS43F, LYS99H, PHE110H, PHE144H, PRO19F, PRO59H, PRO72F, SER106H, SER107H, THR23F, TYR12F, TYR56H, VAL10F, VAL148H, VAL16F, VAL62H, VAL70F, VAL73F, VAL74F
• G-H: ALA61H, ALA63H, ALA64H, ARG17G, ARG20G, ARG26G, ARG58H, ARG65H, ASP55H, GLU22G, GLU25G, GLU31G, GLU66H, GLY21G, GLY54H, ILE24G, LEU28G, LEU35H, LEU39G, LEU41G, LEU57H, LYS32G, LYS67H, PHE51H, PRO19G, THR23G, TYR53H, TYR56H, VAL27G, VAL62H
• H-I: GLN205H, GLU316I
• I-J: ARG20J, ASP124I, GLU120I
• I-K: ALA181I, ALA214I, ALA77I, ALA85I, ARG13K, ARG17K, ARG184I, ARG20K, ARG267I, ARG26K, ARG302I, ASN15K, ASN71K, ASN82I, ASP124I, ASP185I, ASP18K, ASP211I, GLN208I, GLN282I, GLU22K, GLU268I, GLU283I, GLU30K, GLU75K, GLU79I, GLY121I, GLY180I, GLY183I, GLY210I, HIS304I, ILE207I, ILE78I, LEU205I, LEU305I, LEU306I, LYS204I, LYS38K, MET217I, PHE213I, PHE307I, PRO19K, PRO212I, PRO269I, PRO72K, PRO75I, PRO80I, SER128I, SER206I, SER281I, THR182I, THR203I, THR23K, TYR125I, TYR12K, TYR81I, VAL16K, VAL209I, VAL27K, VAL73K, VAL74K
• I-L: ALA123I, ALA141L, ALA190L, ALA19L, ALA214I, ALA22L, ARG101I, ARG137L, ARG17L, ARG189L, ARG367I, ARG393I, ARG396I, ARG561I, ASN105L, ASN127I, ASN14L, ASN503I, ASP116I, ASP124I, ASP16L, ASP18L, ASP211I, ASP374I, ASP380I, ASP55L, CYS112L, CYS15L, GLN104L, GLN372I, GLN505I, GLU120I, GLU188L, GLU192L, GLU193L, GLU215I, GLU220I, GLU24L, GLU283I, GLU368I, GLU371I, GLU558I, GLU562I, GLU66L, GLY108L, GLY121I, GLY126I, GLY12L, GLY130I, GLY143L, GLY196L, GLY210I, GLY378I, GLY398I, GLY49L, GLY50L, GLY54L, GLY564I, HIS142L, HIS186L, HIS21L, HIS304I, HIS375I, ILE111L, ILE119I, ILE129I, ILE138L, ILE140L, ILE195L, ILE219I, ILE25L, ILE394I, LEU194L, LEU223I, LEU305I, LEU35L, LYS109L, LYS113L, LYS216I, LYS303I, LYS395I, LYS506I, LYS509I, MET217I, MET376I, MET392I, PHE110L, PHE213I, PHE370I, PHE51L, PRO102I, PRO11L, PRO132I, PRO139L, PRO212I, PRO384I, PRO504I, SER107L, SER128I, SER13L, SER52L, THR103I, THR379I, THR381I, TRP114L, TYR10L, TYR125I, TYR20L, TYR32L, TYR373I, TYR53L, TYR563I, TYR56L, TYR81I, VAL115L, VAL131I, VAL157I, VAL191L, VAL209I, VAL369I, VAL377I, VAL382I, VAL383I, VAL391I, VAL507I, VAL62L, VAL9L
• J-K: ALA51J, ALA51K, ALA57J, ALA57K, ALA64J, ALA64K, ALA7J, ALA7K, ARG20J, ARG26J, ARG29J, ARG29K, ARG40J, ARG40K, ARG80J, ARG80K, ASP9J, ASP9K, CYS65J, CYS65K, GLN11J, GLN11K, GLU25J, GLU25K, GLU31J, GLU31K, GLU48J, GLU48K, GLU50J, GLU50K, GLU52J, GLU52K, GLU59J, GLU59K, GLU66J, GLU66K, GLU67J, GLU67K, GLU76J, GLU78J, GLU78K, GLY21J, GLY21K, GLY33J, GLY33K, GLY42J, GLY42K, HIS46J, HIS46K, ILE24J, ILE24K, ILE45J, ILE45K, ILE60J, ILE60K, ILE8J, ILE8K, LEU28J, LEU28K, LEU34J, LEU34K, LEU39J, LEU39K, LEU3J, LEU3K, LEU41J, LEU41K, LEU47J, LEU47K, LEU68J, LEU68K, LEU69J, LEU69K, LEU82J, LEU82K, LYS32J, LYS32K, LYS37J, LYS37K, LYS38J, LYS38K, LYS43J, LYS43K, LYS56J, LYS56K, LYS5J, LYS5K, LYS62J, LYS62K, LYS63J, LYS63K, MET1J, MET1K, PHE4J, PHE4K, PHE6J, PHE6K, PRO35J, PRO35K, SER44J, SER44K, THR23J, THR23K, VAL10J, VAL10K, VAL27J, VAL27K, VAL36J, VAL36K, VAL49J, VAL49K, VAL61J, VAL61K, VAL79J, VAL79K
• J-L: ALA101L, ALA61L, ALA63L, ALA64J, ALA64L, ARG13J, ARG146L, ARG17J, ARG20J, ARG58L, ARG65L, ASN105L, ASN164L, ASN71J, ASP167L, ASP18J, CYS65J, GLN104L, GLU22J, GLU66J, GLU67J, GLU75J, GLU94L, GLY100L, GLY108L, GLY165L, GLY21J, GLY96L, ILE150L, ILE45J, ILE93L, LEU102L, LEU103L, LEU41J, LEU57L, LEU68J, LEU69J, LEU98L, LYS109L, LYS149L, LYS43J, LYS99L, PHE144L, PRO19J, PRO59L, PRO72J, SER106L, SER107L, THR23J, TYR12J, TYR56L, VAL10J, VAL148L, VAL16J, VAL62L, VAL70J, VAL73J, VAL74J
• K-L: ALA61L, ALA63L, ALA64L, ARG17K, ARG20K, ARG26K, ARG58L, ARG65L, ASP55L, GLU22K, GLU25K, GLU30K, GLU31K, GLU66L, GLY21K, GLY54L, ILE24K, LEU28K, LEU35L, LEU39K, LEU41K, LEU57L, LYS32K, LYS67L, PHE51L, PRO19K, THR23K, TYR53L, TYR56L, VAL27K, VAL62L