1TOC

structure of serine proteinase

• Total interactions analyzed: 66
• Total true interactions: 20
• Strongest Interaction:
  • Chains: F-T
  • Int. Res.: 164
  • Norm. En. per Res.: -3.8499
• Hub Node: B(5)

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	-59.3605	-55.8367	494.125	378.9279	84	32	1	12727	10	36	27
B-R	-96.4336	-38.2689	-468.184	-602.8866	163	44	11	18894	3	58	39
B-C	0.0	0.0	-0.0854	-0.0854	3	0	0	15	0	1	1
B-D	0.0	0.0	-0.5924	-0.5924	14	0	0	181	0	2	2
B-F	0.0	-9.5317	-62.1646	-71.6963	44	0	3	3487	0	20	29
B-T	0.0	7.3866	-16.0102	-8.6236	19	0	0	883	0	6	8
R-F	0.0	5.475	-22.6322	-17.1572	20	0	0	949	0	5	8
C-D	-48.2535	-55.4973	426.231	322.4802	83	31	1	12717	9	36	27
C-T	0.0	0.0	-0.5229	-0.5229	7	0	0	99	0	1	3
D-S	-92.6138	-27.0583	-422.065	-541.7372	163	45	9	18241	5	59	39
D-T	-6.7606	-7.449	-35.1819	-49.3915	26	4	1	1852	0	12	8
D-H	0.0	-6.7581	-58.2173	-64.9754	43	0	3	3282	0	22	27
D-U	-5.1941	1.9027	-23.7704	-27.0618	22	7	0	1255	0	8	9
S-H	-11.2301	11.691	-24.3501	-23.8892	21	1	0	1107	0	7	9
E-F	-46.6728	-55.6349	429.709	327.4013	83	31	1	12817	10	36	27
F-T	-92.4811	-55.0241	-483.875	-631.3802	164	37	9	18910	6	61	38
F-H	0.0	0.0	-0.0394	-0.0394	5	0	0	23	0	3	2
T-H	0.0	0.0	-0.0007	-0.0007	4	0	0	2	0	0	0
G-H	-56.6911	-54.2891	377.02	266.0397	85	28	1	12770	9	36	27
H-U	-99.3786	-27.7711	-450.02	-577.1697	158	44	10	18264	4	59	39

Interface residues

• A-B: ALA132B, ALA1A, ALA22B, ARG137B, ARG206B, ARG4A, ASN159B, ASN204B, ASN205B, ASP116B, ASP14A, ASP1A, ASP21B, CYS122B, CYS1A, GLN11A, GLN13A, GLN14A, GLN209B, GLN20B, GLU14A, GLU23B, GLU8A, GLY133B, GLY136B, GLY19B, GLY25B, GLY2A, HIS119B, HIS131B, ILE118B, ILE14A, ILE47B, LEU114B, LEU123B, LEU129B, LEU130B, LEU14A, LEU160B, LEU162B, LEU26B, LEU3A, LEU46B, LEU6A, LYS10A, LYS129B, LYS135B, LYS14A, LYS186B, LYS202B, LYS9A, MET201B, MET210B, PHE134B, PHE14A, PHE199B, PHE7A, PRO120B, PRO124B, PRO161B, PRO204B, PRO28B, PRO5A, SER115B, SER14A, SER203B, SER27B, SER48B, THR139B, THR14A, TRP207B, TRP29B, TYR117B, TYR14A, TYR184B, TYR204B, TYR208B, VAL121B, VAL12A, VAL138B, VAL157B, VAL158B, VAL200B, VAL24B
• B-R: ALA112R, ALA115R, ALA190B, ALA41R, ALA49R, ALA55B, ARG110B, ARG145B, ARG173B, ARG21R, ARG221B, ARG24R, ARG35B, ARG67B, ARG73B, ARG75B, ARG77B, ASN101R, ASN143B, ASN2R, ASN6R, ASN7R, ASN98B, ASP102B, ASP189B, ASP194B, ASP56R, ASP60B, ASP62B, ASP63B, CYS109R, CYS113R, CYS191B, CYS220B, CYS35R, CYS42B, CYS46R, CYS50R, CYS58B, CYS5R, CYS65R, CYS89R, GLN110R, GLN151B, GLN38B, GLN47R, GLN48R, GLU100R, GLU104R, GLU106R, GLU108R, GLU118R, GLU146B, GLU149B, GLU192B, GLU217B, GLU25R, GLU38R, GLU39B, GLU45R, GLU55R, GLU60R, GLU77B, GLU80B, GLU97B, GLY114R, GLY119R, GLY142B, GLY193B, GLY196B, GLY197B, GLY216B, GLY219B, GLY226B, GLY26R, GLY39R, GLY53R, GLY54R, GLY67R, GLY99R, HIS44R, HIS57B, HIS57R, HIS62R, ILE117R, ILE16B, ILE174B, ILE176B, ILE212B, ILE82B, LEU1R, LEU30R, LEU40B, LEU41B, LEU4R, LEU60B, LEU64B, LEU65B, LEU66R, LEU99B, LYS224B, LYS36B, LYS60B, LYS70B, LYS78B, LYS81B, MET32B, MET61R, MET84B, PHE103R, PHE227B, PHE23R, PHE34B, PHE51R, PHE60B, PRO116R, PRO37B, PRO60B, PRO8R, SER105R, SER149B, SER195B, SER1R, SER214B, SER37B, SER37R, SER42R, SER58R, SER59R, SER63R, SER64R, SER72B, SER83B, THR102R, THR10R, THR147B, THR149B, THR172B, THR27R, THR28R, THR74B, THR80R, TRP141B, TRP148B, TRP215B, TRP60B, TRP96B, TYR228B, TYR40R, TYR60B, TYR76B, TYR81R, TYR82R, TYR94B, VAL107R, VAL111R, VAL138B, VAL149B, VAL150B, VAL213B, VAL3R, VAL52R, VAL66B
• B-C: ALA149B, ASP1C, GLU149B
• B-D: ALA149B, ARG145B, ARG206D, ASN204D, ASP125D, ASP243D, GLN127D, GLN239D, LYS126D, LYS235D, THR128D, THR149B, TYR208D, VAL149B
• B-F: ALA170B, ALA170F, ARG165B, ARG165F, ARG173B, ARG173F, ARG175B, ARG175F, ASP222B, ASP222F, CYS168B, CYS168F, GLU164B, GLU164F, GLU186B, GLU186F, GLY186B, GLY186F, GLY223B, GLY223F, ILE174B, ILE174F, LYS169B, LYS169F, LYS185B, LYS185F, LYS224B, LYS224F, PRO166B, PRO166F, PRO186B, PRO186F, SER171B, SER171F, THR172B, THR172F, TYR184B, TYR184F, TYR225B, TYR225F, VAL163B, VAL163F, VAL167B, VAL167F
• B-T: ARG144B, ARG145B, ARG187B, ARG221B, ASN14T, ASN15T, ASP12T, ASP16T, ASP221B, ASP222B, CYS13T, CYS220B, GLU146B, GLU18B, GLY188B, SER37T, THR147B, TRP148B, VAL17B
• R-F: ARG144F, ARG145F, ARG187F, ARG221F, ASN14R, ASN15R, ASP12R, ASP16R, ASP189F, ASP221F, ASP222F, CYS13R, CYS220F, GLU146F, GLU18F, GLY188F, SER37R, THR147F, TRP148F, VAL17F
• C-D: ALA132D, ALA1C, ALA22D, ARG137D, ARG206D, ARG4C, ASN159D, ASN204D, ASN205D, ASP116D, ASP14C, ASP1C, ASP21D, CYS122D, CYS1C, GLN11C, GLN13C, GLN14C, GLN209D, GLN20D, GLU14C, GLU23D, GLU8C, GLY133D, GLY136D, GLY19D, GLY25D, GLY2C, HIS119D, HIS131D, ILE118D, ILE14C, ILE47D, LEU114D, LEU123D, LEU129D, LEU130D, LEU14C, LEU160D, LEU162D, LEU26D, LEU3C, LEU46D, LEU6C, LYS10C, LYS129D, LYS135D, LYS14C, LYS186D, LYS202D, LYS9C, MET201D, MET210D, PHE134D, PHE14C, PHE199D, PHE7C, PRO120D, PRO161D, PRO204D, PRO28D, PRO5C, SER115D, SER14C, SER203D, SER27D, SER48D, THR139D, THR14C, TRP207D, TRP29D, TYR117D, TYR14C, TYR184D, TYR204D, TYR208D, VAL121D, VAL12C, VAL138D, VAL157D, VAL158D, VAL200D, VAL24D
• C-T: ALA11T, GLN18T, GLU14C, HIS9T, ILE14C, PRO33T, THR10T
• D-S: ALA112S, ALA115S, ALA190D, ALA41S, ALA49S, ALA55D, ALA56D, ARG110D, ARG145D, ARG173D, ARG21S, ARG221D, ARG24S, ARG35D, ARG67D, ARG73D, ARG75D, ARG77D, ASN101S, ASN143D, ASN2S, ASN6S, ASN7S, ASN98D, ASP102D, ASP189D, ASP194D, ASP221D, ASP56S, ASP60D, ASP62D, ASP63D, CYS109S, CYS113S, CYS191D, CYS220D, CYS35S, CYS42D, CYS46S, CYS50S, CYS58D, CYS5S, CYS65S, GLN110S, GLN151D, GLN38D, GLN47S, GLN48S, GLU100S, GLU104S, GLU106S, GLU108S, GLU113D, GLU118S, GLU146D, GLU149D, GLU192D, GLU217D, GLU25S, GLU38S, GLU39D, GLU45S, GLU55S, GLU60S, GLU77D, GLU80D, GLU97D, GLY114S, GLY119S, GLY142D, GLY193D, GLY196D, GLY197D, GLY216D, GLY219D, GLY226D, GLY26S, GLY39S, GLY53S, GLY54S, GLY99S, HIS44S, HIS57D, HIS57S, HIS62S, HIS9S, ILE117S, ILE16D, ILE174D, ILE176D, ILE212D, ILE82D, LEU1S, LEU40D, LEU41D, LEU4S, LEU60D, LEU64D, LEU65D, LEU99D, LYS224D, LYS36D, LYS60D, LYS70D, LYS78D, LYS81D, LYS97D, MET61S, MET84D, PHE103S, PHE227D, PHE23S, PHE34D, PHE51S, PHE60D, PRO116S, PRO37D, PRO60D, PRO8S, PRO97S, SER105S, SER149D, SER195D, SER1S, SER214D, SER37D, SER37S, SER42S, SER58S, SER59S, SER63S, SER64S, SER83D, THR102S, THR10S, THR147D, THR149D, THR172D, THR27S, THR28S, THR74D, THR80S, TRP141D, TRP148D, TRP215D, TRP60D, TRP96D, TYR225D, TYR228D, TYR40S, TYR60D, TYR76D, TYR81S, TYR94D, VAL107S, VAL111S, VAL149D, VAL150D, VAL213D, VAL3S, VAL52S, VAL66D, VAL79D
• D-T: ALA11T, ALA129D, ALA17T, ALA34T, ASN14T, ASN15T, ASP12T, ASP16T, ASP20T, CYS13T, GLN127D, GLN18T, HIS131D, LEU129D, LEU130D, LYS126D, LYS129D, PHE134D, PRO204D, PRO33T, SER32T, THR10T, THR128D, THR36T, TYR204D, VAL19T
• D-H: ALA170D, ALA170H, ARG165D, ARG165H, ARG173D, ARG173H, ARG175H, ASP222D, ASP222H, CYS168D, CYS168H, GLU164D, GLU164H, GLU186D, GLU186H, GLY186D, GLY186H, GLY223D, GLY223H, ILE174D, ILE174H, LYS169D, LYS169H, LYS185D, LYS185H, LYS224D, LYS224H, PRO166D, PRO166H, PRO186D, PRO186H, SER171D, SER171H, THR172D, THR172H, TYR184D, TYR184H, TYR225D, TYR225H, VAL163D, VAL163H, VAL167D, VAL167H
• D-U: ALA17U, ARG144D, ARG145D, ARG187D, ARG221D, ASN14U, ASN15U, ASP12U, ASP16U, ASP189D, ASP221D, ASP222D, CYS13U, CYS220D, GLU146D, GLU18D, GLY188D, SER37U, THR147D, THR149D, TRP148D, VAL17D
• S-H: ALA17S, ARG144H, ARG145H, ARG187H, ARG221H, ASN14S, ASN15S, ASP12S, ASP16S, ASP221H, ASP222H, CYS13S, CYS220H, GLU146H, GLU18H, GLY186H, GLY188H, SER37S, THR147H, TRP148H, VAL17H
• E-F: ALA132F, ALA1E, ALA22F, ARG137F, ARG206F, ARG4E, ASN159F, ASN204F, ASN205F, ASP116F, ASP14E, ASP1E, ASP21F, CYS122F, CYS1E, GLN11E, GLN13E, GLN14E, GLN209F, GLN20F, GLU14E, GLU23F, GLU8E, GLY133F, GLY136F, GLY19F, GLY25F, GLY2E, HIS119F, HIS131F, ILE118F, ILE14E, ILE47F, LEU114F, LEU123F, LEU129F, LEU130F, LEU14E, LEU160F, LEU162F, LEU26F, LEU3E, LEU46F, LEU6E, LYS10E, LYS129F, LYS135F, LYS14E, LYS186F, LYS202F, LYS9E, MET201F, MET210F, PHE134F, PHE14E, PHE199F, PHE7E, PRO120F, PRO161F, PRO204F, PRO28F, PRO5E, SER115F, SER14E, SER203F, SER27F, SER48F, THR139F, THR14E, TRP207F, TRP29F, TYR117F, TYR14E, TYR184F, TYR204F, TYR208F, VAL121F, VAL12E, VAL138F, VAL157F, VAL158F, VAL200F, VAL24F
• F-T: ALA112T, ALA115T, ALA190F, ALA41T, ALA49T, ALA55F, ALA56F, ARG110F, ARG145F, ARG173F, ARG21T, ARG221F, ARG24T, ARG35F, ARG67F, ARG73F, ARG75F, ARG77F, ASN101T, ASN143F, ASN2T, ASN6T, ASN7T, ASN98F, ASP102F, ASP189F, ASP194F, ASP221F, ASP56T, ASP60F, ASP62F, ASP63F, CYS109T, CYS113T, CYS191F, CYS220F, CYS35T, CYS42F, CYS46T, CYS50T, CYS58F, CYS5T, CYS65T, CYS89T, GLN110T, GLN151F, GLN38F, GLN47T, GLN48T, GLU100T, GLU104T, GLU106T, GLU108T, GLU118T, GLU146F, GLU149F, GLU192F, GLU217F, GLU25T, GLU38T, GLU39F, GLU45T, GLU55T, GLU60T, GLU77F, GLU80F, GLU97F, GLY114T, GLY119T, GLY142F, GLY193F, GLY196F, GLY197F, GLY216F, GLY219F, GLY226F, GLY26T, GLY39T, GLY53T, GLY54T, GLY99T, HIS44T, HIS57F, HIS57T, HIS62T, ILE117T, ILE16F, ILE174F, ILE176F, ILE212F, ILE82F, LEU1T, LEU40F, LEU41F, LEU4T, LEU60F, LEU64F, LEU65F, LEU99F, LYS109F, LYS224F, LYS36F, LYS60F, LYS70F, LYS78F, LYS81F, LYS97F, MET32F, MET61T, MET84F, PHE103T, PHE227F, PHE23T, PHE34F, PHE51T, PHE60F, PRO116T, PRO152F, PRO37F, PRO60F, PRO8T, PRO97T, SER105T, SER149F, SER195F, SER1T, SER214F, SER37F, SER37T, SER42T, SER58T, SER59T, SER63T, SER64T, SER83F, THR102T, THR10T, THR147F, THR149F, THR172F, THR27T, THR28T, THR74F, THR80T, TRP141F, TRP148F, TRP215F, TRP60F, TRP96F, TYR228F, TYR40T, TYR60F, TYR76F, TYR81T, TYR94F, VAL107T, VAL111T, VAL138F, VAL149F, VAL150F, VAL213F, VAL3T, VAL52T, VAL66F
• F-H: ARG35F, ASP60F, ASP63F, LYS126H, SER37F
• T-H: HIS131H, LYS126H, THR27T, THR28T
• G-H: ALA132H, ALA1G, ALA22H, ARG137H, ARG206H, ARG4G, ASN159H, ASN204H, ASN205H, ASP116H, ASP125H, ASP14G, ASP1G, ASP21H, CYS122H, CYS1G, GLN11G, GLN13G, GLN14G, GLN209H, GLN20H, GLU14G, GLU23H, GLU8G, GLY133H, GLY136H, GLY19H, GLY25H, GLY2G, HIS119H, HIS131H, ILE118H, ILE14G, ILE47H, LEU114H, LEU123H, LEU129H, LEU130H, LEU14G, LEU160H, LEU162H, LEU26H, LEU3G, LEU46H, LEU6G, LYS10G, LYS129H, LYS135H, LYS14G, LYS186H, LYS202H, LYS9G, MET201H, MET210H, PHE134H, PHE14G, PHE199H, PHE7G, PRO120H, PRO124H, PRO161H, PRO204H, PRO28H, PRO5G, SER115H, SER14G, SER203H, SER27H, SER48H, THR139H, THR14G, TRP207H, TRP29H, TYR117H, TYR14G, TYR184H, TYR204H, TYR208H, VAL121H, VAL12G, VAL138H, VAL157H, VAL158H, VAL200H, VAL24H
• H-U: ALA112U, ALA115U, ALA190H, ALA41U, ALA49U, ALA55H, ARG110H, ARG145H, ARG173H, ARG221H, ARG24U, ARG35H, ARG67H, ARG73H, ARG75H, ARG77H, ASN101U, ASN143H, ASN2U, ASN6U, ASN7U, ASN98H, ASP102H, ASP189H, ASP194H, ASP56U, ASP60H, ASP62H, ASP63H, CYS109U, CYS113U, CYS191H, CYS220H, CYS35U, CYS42H, CYS46U, CYS50U, CYS58H, CYS5U, CYS65U, CYS89U, GLN110U, GLN151H, GLN38H, GLN47U, GLN48U, GLU100U, GLU104U, GLU106U, GLU108U, GLU118U, GLU146H, GLU149H, GLU192H, GLU217H, GLU25U, GLU38U, GLU39H, GLU45U, GLU55U, GLU60U, GLU77H, GLU80H, GLU97H, GLY114U, GLY119U, GLY142H, GLY193H, GLY196H, GLY197H, GLY216H, GLY219H, GLY226H, GLY26U, GLY39U, GLY53U, GLY54U, GLY67U, GLY99U, HIS44U, HIS57H, HIS57U, HIS62U, ILE117U, ILE16H, ILE174H, ILE176H, ILE212H, ILE82H, LEU1U, LEU40H, LEU41H, LEU4U, LEU60H, LEU65H, LEU99H, LYS224H, LYS36H, LYS60H, LYS70H, LYS78H, LYS81H, LYS97H, MET32H, MET61U, MET84H, PHE103U, PHE227H, PHE23U, PHE34H, PHE51U, PHE60H, PRO116U, PRO152H, PRO37H, PRO60H, PRO8U, SER105U, SER149H, SER195H, SER1U, SER214H, SER37H, SER37U, SER42U, SER58U, SER59U, SER63U, SER64U, SER83H, THR102U, THR10U, THR147H, THR149H, THR172H, THR27U, THR28U, THR74H, TRP141H, TRP148H, TRP215H, TRP60H, TRP96H, TYR228H, TYR40U, TYR60H, TYR76H, TYR81U, TYR82U, TYR94H, VAL107U, VAL111U, VAL149H, VAL150H, VAL213H, VAL3U, VAL52U, VAL66H