All Interactions
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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 |
int. res. |
A-B |
-626.3411 |
-176.5464 |
-2317.65 |
-3120.5375 |
695 |
337 |
49 |
99209 |
18 |
137 |
128 |
|
A-C |
-546.3315 |
-165.7233 |
-2247.54 |
-2959.5948 |
695 |
303 |
49 |
97843 |
16 |
136 |
128 |
|
A-E |
-18.0175 |
-38.9838 |
177.824 |
120.8226 |
85 |
92 |
1 |
7159 |
2 |
25 |
27 |
|
A-N |
0.0 |
8.7148 |
2 |
ASP186N, GLU21A |
A-O |
-30.6541 |
-3.2645 |
8 |
GLN8A, GLU21A, GLY26A, LYS3O, MET34O, PHE201O, PRO7A, TYR33O |
B-C |
-566.7371 |
-168.8136 |
-2330.22 |
-3065.7707 |
702 |
345 |
52 |
99415 |
16 |
136 |
127 |
|
B-M |
-44.5334 |
-1.3017 |
15 |
ARG455M, ARG540M, ARG669B, ARG82B, ARG941B, ASP362B, GLU105M, GLU581B, GLU59M, GLY342B, LYS80B, SER453M, SER692B, SER81M, THR108M |
C-E |
-40.9881 |
-16.0932 |
-74.9875 |
-132.0689 |
123 |
133 |
6 |
11799 |
3 |
15 |
18 |
|
C-K |
-55.3774 |
10.9147 |
17 |
ALA894C, ALA949C, ARG669C, ARG669K, ARG82K, ASN670C, ASP359K, ASP71K, GLN353C, GLN353K, GLN361C, GLU581K, GLY342C, GLY693K, HIS931C, LEU652K, TYR77K |
C-N |
-8.1084 |
17.3667 |
6 |
ARG87N, ASP58C, ASP89N, GLU90N, HIS53C, THR52C |
C-O |
-12.2677 |
-5.2908 |
18 |
ARG30O, ARG59C, ARG91C, ASN215O, ASP221O, ASP224O, ASP26O, ASP54C, ASP58C, ASP636C, ASP89C, GLU936C, HIS53C, HIS623C, HIS928C, HIS931C, SER627C, THR7O |
D-E |
-568.7781 |
-167.5507 |
-2269.09 |
-3005.4188 |
702 |
349 |
50 |
99333 |
16 |
136 |
126 |
|
D-F |
-609.8646 |
-166.4352 |
-2178.51 |
-2954.8098 |
701 |
386 |
49 |
99753 |
16 |
138 |
128 |
|
D-G |
0.0 |
0.0 |
-8.1431 |
-8.1431 |
11 |
1 |
0 |
447 |
0 |
0 |
0 |
|
D-P |
-12.6362 |
-2.4479 |
4 |
GLU21D, GLY26D, LYS3P, PHE201P |
D-R |
-75.8285 |
15.7196 |
15 |
ARG18R, ARG746D, ASN43R, ASN658D, ASN754D, ASP901D, GLU50R, GLU751D, LYS745D, LYS861D, SER726D, THR48R, THR660D, THR859D, VAL52R |
E-F |
-562.2965 |
-160.4216 |
-2067.13 |
-2789.8481 |
700 |
374 |
50 |
100003 |
16 |
139 |
129 |
|
E-J |
0.0 |
3.2394 |
3 |
ARG735E, ASP734E, ASP734J |
E-K |
-10.1713 |
0.0 |
4 |
ARG62K, ASN733E, SER60K, SER727E |
E-Q |
0.0 |
4.6413 |
4 |
ARG112Q, ASP108Q, ASP749E, GLU751E |
E-R |
0.0 |
-4.5379 |
2 |
GLU50R, HIS558E |
E-T |
-3.7175 |
13.7284 |
7 |
ARG112T, ASP806E, ASP807E, GLN106T, GLU113T, LYS809E, LYS811E |
F-G |
-51.8751 |
8.8682 |
3.7735 |
-39.2335 |
177 |
149 |
3 |
15121 |
0 |
15 |
19 |
|
F-J |
-28.3666 |
12.7754 |
9 |
ARG59F, ARG735J, ARG91F, ARG932F, ASN733J, ASP725J, ASP89F, HIS898J, SER60F |
F-K |
-24.8402 |
-53.066 |
7 |
ARG59F, ARG59K, ASP58F, ASP58K, HIS623F, HIS623K, SER60K |
F-P |
-56.8822 |
-5.4148 |
27 |
ALA24P, ARG30P, ARG59F, ARG634F, ARG91F, ARG932F, ASN635F, ASN90F, ASN948F, ASP221P, ASP224P, ASP26P, ASP54F, ASP58F, ASP636F, ASP89F, GLN25P, GLU936F, GLY225P, HIS623F, HIS928F, HIS931F, SER222P, SER35P, THR7P, TYR226P, TYR9P |
F-Q |
-18.9134 |
-71.4632 |
7 |
ARG103F, ARG66F, ARG72F, ASP610F, ASP97Q, ASP98Q, SER93Q |
F-T |
-19.1363 |
2.1603 |
6 |
ASP610F, ASP74F, ASP98T, LYS586F, LYS608F, LYS99T |
G-H |
-601.1336 |
-129.811 |
123 |
ALA119H, ALA171G, ALA237H, ALA50H, ALA756G, ALA843G, ALA883G, ARG103H, ARG221H, ARG311G, ARG322H, ARG381H, ARG452H, ARG522G, ARG538H, ARG543H, ARG553H, ARG62H, ARG66H, ARG735G, ARG795G, ARG836H, ARG926G, ASN121H, ASN387H, ASN42H, ASN449H, ASN455G, ASN455H, ASN456G, ASN475H, ASN551H, ASN570G, ASN638G, ASN733G, ASN823G, ASN824G, ASP101H, ASP291H, ASP378H, ASP407G, ASP639G, ASP734G, ASP788G, ASP812G, ASP886G, ASP94G, GLN560H, GLN61H, GLN757G, GLN778H, GLN803G, GLN839G, GLU202H, GLU207G, GLU207H, GLU242H, GLU288H, GLU293H, GLU401G, GLU406G, GLU408G, GLU423H, GLU444H, GLU450H, GLU460G, GLU460H, GLU751G, GLU837G, GLY169G, GLY206H, GLY454H, GLY552H, GLY752G, GLY826H, GLY838H, GLY851G, HIS13H, HIS166G, HIS403G, HIS537H, HIS53H, HIS558H, HIS820G, HIS822G, LEU123H, LEU549H, LEU63H, LEU849G, LEU884G, LYS126H, LYS180G, LYS238H, LYS282G, LYS431H, LYS43H, LYS448H, LYS762G, LYS852G, LYS861G, PHE265G, PHE414G, PRO203H, PRO846G, SER116H, SER235H, SER24H, SER267G, SER39G, SER446H, SER641G, THR165G, THR405G, THR426H, THR48H, THR57H, TYR11H, TYR120H, TYR211H, TYR233H, TYR841G, VAL167G, VAL428H |
G-I |
-565.055 |
-172.9637 |
123 |
ALA119G, ALA171I, ALA237G, ALA50G, ALA756I, ALA843I, ARG103G, ARG221G, ARG322G, ARG381G, ARG452G, ARG45G, ARG522I, ARG538G, ARG543G, ARG553G, ARG62G, ARG66G, ARG735I, ARG795I, ARG836G, ARG926I, ASN121G, ASN387G, ASN42G, ASN449G, ASN455I, ASN456I, ASN475G, ASN551G, ASN570I, ASN638I, ASN733I, ASN823I, ASN824I, ASP101G, ASP291G, ASP378G, ASP407I, ASP639I, ASP734I, ASP788I, ASP812I, ASP886I, ASP94I, GLN204G, GLN560G, GLN61G, GLN757I, GLN778G, GLN803I, GLN821I, GLN839I, GLU202G, GLU207G, GLU242G, GLU288G, GLU293G, GLU401I, GLU406I, GLU408I, GLU423G, GLU444G, GLU450G, GLU460G, GLU460I, GLU751I, GLU837I, GLY169I, GLY206G, GLY454G, GLY552G, GLY752I, GLY826G, GLY838G, GLY851I, HIS13G, HIS166I, HIS403I, HIS537G, HIS53G, HIS558G, HIS820I, HIS822I, LEU123G, LEU549G, LEU63G, LEU736I, LEU737I, LEU849I, LEU884I, LYS126G, LYS180I, LYS238G, LYS282I, LYS431G, LYS43G, LYS448G, LYS762I, LYS852I, LYS861I, PHE265I, PHE414I, PRO203G, PRO846I, SER116G, SER235G, SER24G, SER267I, SER39I, SER446G, SER641I, THR165I, THR405I, THR426G, THR48G, THR57G, TYR11G, TYR120G, TYR233G, TYR841I, VAL167I, VAL428G |
G-J |
-6.3193 |
-3.7016 |
6 |
ARG669J, ASN670J, ASP734G, ASP901G, GLU936J, SER726G |
G-P |
-85.4698 |
17.5937 |
24 |
ALA949G, ARG30P, ARG43P, ARG48P, ARG634G, ARG669G, ARG926G, ASN32P, ASN355G, ASN895G, ASN948G, ASP26P, ASP636G, ASP639G, GLU936G, HIS39P, HIS928G, HIS931G, ILE189P, ILE31P, SER35P, THR950G, TYR33P, TYR939G |
G-T |
0.0 |
-4.6338 |
2 |
GLU50T, HIS558G |
H-I |
-593.767 |
-167.5709 |
122 |
ALA119I, ALA171H, ALA237I, ALA50I, ALA756H, ALA843H, ALA883H, ARG103I, ARG221I, ARG322I, ARG381I, ARG452I, ARG522H, ARG538I, ARG543I, ARG553I, ARG62I, ARG66I, ARG735H, ARG795H, ARG836I, ARG926H, ASN121I, ASN387I, ASN449I, ASN455H, ASN455I, ASN456H, ASN475I, ASN551I, ASN570H, ASN638H, ASN733H, ASN823H, ASN824H, ASP101I, ASP291I, ASP378I, ASP407H, ASP639H, ASP734H, ASP788H, ASP812H, ASP886H, ASP94H, GLN560I, GLN61I, GLN757H, GLN778I, GLN803H, GLN839H, GLU202I, GLU207H, GLU207I, GLU242I, GLU288I, GLU293I, GLU401H, GLU406H, GLU408H, GLU423I, GLU444I, GLU450I, GLU460H, GLU460I, GLU751H, GLU837H, GLY169H, GLY206I, GLY454I, GLY552I, GLY752H, GLY826I, GLY838I, GLY851H, HIS13I, HIS166H, HIS403H, HIS537I, HIS53I, HIS558I, HIS820H, HIS822H, LEU123I, LEU549I, LEU63I, LEU736H, LEU737H, LEU849H, LEU884H, LYS126I, LYS180H, LYS238I, LYS282H, LYS431I, LYS43I, LYS448I, LYS762H, LYS852H, LYS861H, PHE265H, PHE414H, PRO203I, PRO846H, SER116I, SER235I, SER24I, SER267H, SER39H, SER446I, SER641H, THR165H, THR405H, THR426I, THR48I, THR57I, TYR11I, TYR120I, TYR233I, TYR841H, VAL167H, VAL428I |
H-J |
-21.4096 |
-56.0442 |
11 |
ARG103H, ARG62H, ARG72H, ASP610H, ASP71J, ASP89H, GLU73J, GLU936J, HIS931J, SER352J, VAL70J |
H-Q |
0.0 |
-13.5662 |
2 |
ARG73Q, GLU242H |
H-S |
-35.5359 |
-37.9345 |
13 |
ARG18S, ARG26S, ASP35S, ASP362H, ASP695H, GLN27S, LYS586H, LYS685H, PRO696H, SER32S, SER692H, THR684H, TRP22S |
I-T |
-62.7941 |
7.1753 |
13 |
ARG18T, ARG746I, ASN43T, ASN658I, ASN754I, ASP749I, ASP901I, GLU50T, GLU751I, LYS745I, LYS861I, THR859I, VAL52T |
J-K |
-576.6097 |
-171.9952 |
119 |
ALA119K, ALA171J, ALA237K, ALA50K, ALA756J, ALA843J, ARG103K, ARG221K, ARG322K, ARG381K, ARG452K, ARG522J, ARG538K, ARG543K, ARG553K, ARG62K, ARG66K, ARG735J, ARG795J, ARG836K, ARG926J, ASN121K, ASN387K, ASN42K, ASN449K, ASN455J, ASN456J, ASN475K, ASN551K, ASN570J, ASN638J, ASN733J, ASN823J, ASN824J, ASP101K, ASP291K, ASP378K, ASP407J, ASP639J, ASP734J, ASP788J, ASP812J, ASP886J, ASP94J, GLN560K, GLN61K, GLN757J, GLN778K, GLN803J, GLN839J, GLN889J, GLU202K, GLU207K, GLU242K, GLU288K, GLU293K, GLU401J, GLU406J, GLU408J, GLU423K, GLU444K, GLU450K, GLU460J, GLU460K, GLU751J, GLU837J, GLY169J, GLY206K, GLY454K, GLY552K, GLY752J, GLY826K, GLY838K, GLY851J, HIS13K, HIS166J, HIS403J, HIS537K, HIS53K, HIS558K, HIS820J, HIS822J, LEU123K, LEU549K, LEU63K, LEU849J, LEU884J, LYS126K, LYS180J, LYS238K, LYS282J, LYS431K, LYS43K, LYS448K, LYS762J, LYS852J, LYS861J, PHE265J, PHE414J, PRO203K, PRO846J, SER116K, SER235K, SER24K, SER267J, SER39J, SER446K, SER641J, THR165J, THR405J, THR426K, THR48K, THR52K, THR57K, TYR11K, TYR120K, TYR841J, VAL167J, VAL428K |
J-L |
-575.7646 |
-172.7302 |
123 |
ALA119J, ALA171L, ALA237J, ALA50J, ALA756L, ALA843L, ARG103J, ARG221J, ARG322J, ARG381J, ARG452J, ARG45J, ARG522L, ARG538J, ARG543J, ARG553J, ARG62J, ARG66J, ARG735L, ARG795L, ARG836J, ARG926L, ASN121J, ASN387J, ASN449J, ASN455L, ASN456L, ASN475J, ASN551J, ASN570L, ASN638L, ASN733L, ASN823L, ASN824L, ASP101J, ASP291J, ASP378J, ASP407L, ASP447J, ASP639L, ASP734L, ASP788L, ASP812L, ASP886L, ASP94L, GLN170J, GLN204J, GLN560J, GLN61J, GLN757L, GLN803L, GLN821L, GLN839L, GLU202J, GLU207J, GLU242J, GLU288J, GLU293J, GLU401L, GLU406L, GLU408L, GLU423J, GLU444J, GLU450J, GLU460J, GLU460L, GLU751L, GLU837L, GLY169L, GLY206J, GLY454J, GLY552J, GLY752L, GLY826J, GLY838J, GLY838L, GLY851L, HIS13J, HIS166L, HIS403L, HIS537J, HIS53J, HIS558J, HIS820L, HIS822L, LEU123J, LEU549J, LEU63J, LEU736L, LEU737L, LEU849L, LEU884L, LYS126J, LYS180L, LYS238J, LYS282L, LYS431J, LYS43J, LYS448J, LYS762L, LYS852L, LYS861L, PHE265L, PHE414L, PRO203J, PRO846L, SER116J, SER235J, SER24J, SER267L, SER446J, SER641L, THR165L, THR405L, THR426J, THR48J, THR57J, TYR11J, TYR120J, TYR233J, TYR841L, VAL167L, VAL428J |
J-P |
-14.0514 |
43.3321 |
13 |
ARG59J, ARG93P, ASN635J, ASP58J, ASP636J, ASP89J, ASP94P, GLU82P, GLU98P, HIS623J, HIS898J, THR173P, TYR226P |
J-Q |
0.0 |
-3.7045 |
4 |
ASP107J, GLU58Q, LYS586J, LYS608J |
J-R |
0.0 |
11.0218 |
2 |
ASP123R, ASP749J |
J-S |
-2.5946 |
0.0187 |
5 |
ARG125S, ASP123S, ASP807J, GLN119S, LYS811J |
K-L |
-586.998 |
-165.5982 |
120 |
ALA119L, ALA171K, ALA237L, ALA50L, ALA756K, ALA843K, ALA883K, ARG103L, ARG221L, ARG322L, ARG381L, ARG452L, ARG522K, ARG538L, ARG543L, ARG553L, ARG62L, ARG66L, ARG735K, ARG795K, ARG836L, ARG926K, ASN121L, ASN387L, ASN42L, ASN449L, ASN455K, ASN455L, ASN456K, ASN475L, ASN551L, ASN570K, ASN638K, ASN733K, ASN823K, ASN824K, ASP101L, ASP291L, ASP378L, ASP407K, ASP639K, ASP734K, ASP788K, ASP812K, ASP886K, ASP94K, GLN560L, GLN61L, GLN757K, GLN778L, GLN803K, GLN839K, GLU202L, GLU207K, GLU207L, GLU242L, GLU288L, GLU293L, GLU401K, GLU406K, GLU408K, GLU423L, GLU444L, GLU450L, GLU460K, GLU460L, GLU751K, GLU837K, GLY169K, GLY206L, GLY454L, GLY552L, GLY752K, GLY826L, GLY838L, GLY851K, HIS13L, HIS166K, HIS403K, HIS537L, HIS53L, HIS558L, HIS820K, HIS822K, LEU123L, LEU549L, LEU63L, LEU849K, LEU884K, LYS126L, LYS180K, LYS238L, LYS282K, LYS431L, LYS43L, LYS448L, LYS762K, LYS852K, LYS861K, PHE265K, PHE414K, PRO203L, PRO846K, SER116L, SER235L, SER24L, SER267K, SER39K, SER446L, SER641K, THR165K, THR405K, THR426L, THR48L, THR57L, TYR11L, TYR120L, TYR841K, VAL167K, VAL428L |
K-N |
0.0 |
7.9616 |
2 |
ASP886K, GLU288N |
K-O |
-27.7519 |
8.8873 |
18 |
ALA949K, ARG43O, ARG48O, ARG634K, ARG669K, ARG926K, ASN32O, ASN895K, ASP26O, ASP636K, ASP639K, GLU936K, HIS39O, HIS928K, HIS931K, ILE189O, TYR27O, TYR939K |
K-P |
-18.3986 |
11.2769 |
18 |
ARG179P, ARG59K, ARG72P, ASN624K, ASP217P, ASP221P, ASP224P, ASP54K, ASP58K, GLN17K, GLN8K, GLU177P, GLU21K, HIS53K, HIS623K, LYS220P, PRO15P, PRO178P |
L-N |
0.0 |
39.0899 |
5 |
ASP289N, ASP54L, ASP58L, GLU288N, HIS53L |
L-Q |
-42.1466 |
-12.8615 |
9 |
ARG18Q, ASP901L, GLU50Q, GLU751L, LYS745L, LYS861L, SER726L, THR859L, VAL52Q |
M-N |
-22.1514 |
25.8029 |
8 |
ALA103N, ARG104N, ARG44M, ARG56M, ARG65N, ASN106N, LEU46M, THR49M |
N-O |
-21.2163 |
23.0073 |
18 |
ARG193N, ARG233N, ARG53O, ASN199O, ASP221O, ASP271N, ASP89N, GLN194N, GLN211O, GLN58O, GLU179N, GLU190O, GLU294N, GLU57O, HIS207O, LYS220O, THR198N, TYR197O |
Q-R |
-9.6667 |
8.5818 |
8 |
ALA95R, ARG96Q, GLU113Q, GLU113R, LEU131Q, LYS132Q, LYS132R, LYS99R |
Q-S |
0.0 |
-9.7584 |
3 |
ARG96Q, ARG96S, ASP97Q |
Q-T |
-17.7472 |
-22.7027 |
6 |
ARG125Q, ASP123T, ASP97Q, LYS132Q, LYS132T, LYS99T |
R-S |
-11.8331 |
-44.846 |
4 |
ARG125R, ASP108S, ASP97S, LYS132R |
S-T |
0.0 |
3.1461 |
4 |
ARG96S, ASP108T, LYS99S, LYS99T |
|