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-D |
-213.0734 |
-16.4111 |
-1074.5 |
-1303.9844 |
333 |
144 |
30 |
47377 |
4 |
126 |
109 |
|
A-E |
-123.9759 |
-136.9438 |
-571.81 |
-832.7297 |
193 |
59 |
6 |
24599 |
14 |
104 |
84 |
|
A-I |
-127.0279 |
-145.9904 |
-571.309 |
-844.3273 |
191 |
50 |
6 |
24185 |
14 |
104 |
83 |
|
B-C |
-114.4475 |
-144.297 |
-574.568 |
-833.3125 |
193 |
56 |
6 |
24228 |
14 |
104 |
83 |
|
B-D |
-98.792 |
-144.4727 |
-525.449 |
-768.7137 |
189 |
38 |
5 |
22626 |
13 |
103 |
84 |
|
B-K |
-202.1104 |
-32.235 |
-1076.88 |
-1311.2254 |
336 |
143 |
29 |
47904 |
4 |
129 |
108 |
|
C-D |
-132.1075 |
-132.0656 |
-563.495 |
-827.6681 |
192 |
54 |
6 |
24118 |
14 |
102 |
85 |
|
C-F |
-202.9383 |
-18.5821 |
-1061.74 |
-1283.2604 |
332 |
144 |
28 |
47753 |
4 |
127 |
109 |
|
E-H |
-185.6046 |
-33.1511 |
-1068.77 |
-1287.5257 |
332 |
143 |
29 |
47420 |
4 |
129 |
107 |
|
E-I |
-97.0641 |
-145.7076 |
-543.701 |
-786.4727 |
189 |
52 |
5 |
23467 |
14 |
101 |
83 |
|
E-O |
0.0 |
41.1681 |
0.0 |
41.1681 |
11 |
0 |
0 |
0 |
0 |
0 |
0 |
|
E-P |
-5.9791 |
-1.4845 |
12 |
ARG393P, ARG394P, ASN226E, ASP155E, GLU213E, GLU227E, GLU399P, HIS219E, LYS209E, LYS281P, LYS398P, LYS7P |
F-G |
-95.2045 |
-148.7484 |
-561.527 |
-805.48 |
188 |
58 |
5 |
23777 |
13 |
102 |
85 |
|
F-H |
-110.1506 |
-125.4412 |
-565.529 |
-801.1208 |
194 |
69 |
6 |
24731 |
14 |
104 |
85 |
|
G-H |
-89.86 |
-153.9164 |
-541.897 |
-785.6734 |
188 |
52 |
6 |
23191 |
15 |
102 |
83 |
|
G-J |
-181.7663 |
-28.9374 |
-1015.45 |
-1226.1537 |
331 |
129 |
29 |
46827 |
4 |
126 |
107 |
|
G-R |
0.0 |
25.6073 |
9 |
ASP155G, ASP17R, ASP18R, ASP230G, ASP235G, GLU23R, LYS153G, LYS154G, LYS19R |
H-M |
0.0 |
0.0 |
-0.7932 |
-0.7932 |
6 |
0 |
0 |
59 |
0 |
6 |
6 |
|
H-O |
0.0 |
10.7178 |
0.0 |
10.7178 |
8 |
0 |
0 |
0 |
0 |
0 |
0 |
|
H-P |
0.0 |
0.0665 |
4 |
ASP17H, GLU8P, LYS10P, LYS19H |
I-L |
-191.5689 |
-19.6265 |
-1051.24 |
-1262.4354 |
329 |
140 |
29 |
47107 |
4 |
125 |
107 |
|
I-P |
0.0 |
-5.5386 |
3 |
GLU72P, LYS398I, LYS92P |
J-K |
-74.8121 |
-134.3971 |
-485.124 |
-694.3332 |
177 |
35 |
5 |
20931 |
14 |
97 |
78 |
|
J-L |
-107.2282 |
-129.6495 |
-553.371 |
-790.2487 |
188 |
57 |
6 |
24129 |
13 |
101 |
87 |
|
K-L |
-105.997 |
-146.9222 |
-548.071 |
-800.9902 |
188 |
53 |
5 |
23565 |
14 |
102 |
85 |
|
L-O |
0.0 |
-8.0763 |
0.0 |
-8.0763 |
3 |
0 |
0 |
0 |
0 |
0 |
0 |
|
M-P |
-195.8917 |
-14.6532 |
73 |
ARG250M, ARG250P, ARG256M, ARG256P, ASN200M, ASN200P, ASN350M, ASP121P, ASP123M, ASP123P, ASP14M, ASP14P, ASP166P, ASP167M, ASP167P, ASP169M, ASP169P, ASP176M, ASP176P, ASP17M, ASP17P, ASP210M, ASP210P, ASP251M, ASP251P, ASP255M, ASP255P, ASP348M, ASP348P, GLN185M, GLN185P, GLU187M, GLU187P, GLY164M, GLY164P, GLY173M, GLY253M, GLY253P, HIS180M, HIS180P, HIS441M, HIS441P, ILE177M, ILE177P, ILE201M, ILE201P, LEU186M, LEU186P, LYS136M, LYS136P, LYS137M, LYS137P, LYS188M, LYS188P, LYS189M, LYS189P, LYS192M, LYS192P, LYS216P, LYS223M, LYS223P, LYS248M, LYS248P, LYS365M, LYS365P, PHE254M, PHE254P, SER175M, SER175P, TYR252M, TYR252P, VAL171M, VAL171P |
M-Q |
-108.7612 |
-146.8994 |
50 |
ALA302M, ALA424Q, ARG330Q, ARG358Q, ARG376Q, ARG393Q, ARG394Q, ARG81M, ASN116M, ASN359Q, ASP112M, ASP155M, ASP235M, ASP293M, ASP383Q, ASP412Q, GLN115M, GLU128M, GLU195M, GLU197M, GLU233M, GLU234M, GLU240M, GLU311M, GLU356Q, GLU387Q, GLU391Q, GLU407Q, GLU425Q, GLU8Q, GLY380Q, HIS130M, LEU5Q, LYS114M, LYS136M, LYS153M, LYS154M, LYS294M, LYS328M, LYS328Q, LYS331Q, LYS371Q, LYS378Q, LYS410Q, LYS7Q, LYS83M, SER307M, THR405Q, TYR138M, VAL297M |
M-U |
-77.3858 |
-146.6585 |
48 |
ALA302U, ALA424M, ARG330M, ARG358M, ARG376M, ARG393M, ARG394M, ARG81U, ASN116U, ASN359M, ASP112U, ASP155U, ASP235U, ASP293U, ASP383M, ASP412M, GLN115U, GLU128U, GLU195U, GLU197U, GLU233U, GLU234U, GLU240U, GLU311U, GLU356M, GLU387M, GLU391M, GLU407M, GLU425M, GLU8M, GLY380M, HIS130U, LYS114U, LYS136U, LYS153U, LYS154U, LYS294U, LYS328M, LYS328U, LYS331M, LYS371M, LYS378M, LYS410M, LYS7M, LYS83U, SER238U, SER307U, VAL297U |
N-O |
-109.2291 |
-131.9148 |
-67.7009 |
-308.8448 |
74 |
12 |
0 |
3090 |
1 |
12 |
11 |
|
N-P |
-116.7454 |
-147.2735 |
50 |
ALA302P, ALA424N, ARG330N, ARG358N, ARG376N, ARG393N, ARG394N, ARG81P, ASN116P, ASN359N, ASP112P, ASP155P, ASP235P, ASP293P, ASP383N, ASP412N, GLN115P, GLU128P, GLU195P, GLU197P, GLU233P, GLU234P, GLU240P, GLU311P, GLU356N, GLU387N, GLU391N, GLU407N, GLU425N, GLU8N, GLY380N, HIS130P, LYS114P, LYS136P, LYS153P, LYS154P, LYS294P, LYS328N, LYS328P, LYS331N, LYS371N, LYS378N, LYS410N, LYS7N, LYS83P, SER238P, SER307P, THR405N, TYR138P, VAL297P |
N-W |
-197.6755 |
-32.5227 |
68 |
ARG250N, ARG250W, ARG256N, ARG256W, ASN200N, ASP123N, ASP123W, ASP14N, ASP14W, ASP166N, ASP167N, ASP167W, ASP169N, ASP169W, ASP176N, ASP176W, ASP17N, ASP17W, ASP210N, ASP210W, ASP251N, ASP251W, ASP255N, ASP255W, ASP348N, ASP348W, GLN185N, GLN185W, GLU187N, GLU187W, GLY164N, GLY164W, GLY173N, GLY253N, GLY253W, HIS180N, HIS180W, HIS441N, HIS441W, ILE177N, ILE177W, ILE201N, ILE201W, LEU186N, LEU186W, LYS136N, LYS136W, LYS137N, LYS137W, LYS188N, LYS188W, LYS189N, LYS189W, LYS192N, LYS192W, LYS216N, LYS216W, LYS223N, LYS223W, LYS248N, LYS248W, LYS365N, LYS365W, PHE254N, PHE254W, TYR252W, VAL171N, VAL171W |
O-P |
-90.0772 |
-131.4282 |
50 |
ALA302O, ALA424P, ARG330P, ARG358P, ARG376P, ARG393P, ARG394P, ARG81O, ASN116O, ASN359P, ASP112O, ASP155O, ASP235O, ASP293O, ASP383P, ASP412P, GLN115O, GLU128O, GLU195O, GLU197O, GLU233O, GLU234O, GLU240O, GLU311O, GLU356P, GLU387P, GLU391P, GLU407P, GLU425P, GLU8P, GLY380P, HIS130O, LEU5P, LYS114O, LYS136O, LYS153O, LYS154O, LYS294O, LYS328O, LYS328P, LYS331P, LYS371P, LYS378P, LYS410P, LYS7P, LYS83O, SER307O, THR405P, TYR138O, VAL297O |
O-R |
-229.091 |
-13.2491 |
77 |
ARG250O, ARG250R, ARG256O, ARG256R, ASN200O, ASN200R, ASN350O, ASP121O, ASP121R, ASP123O, ASP123R, ASP14O, ASP14R, ASP166O, ASP166R, ASP167O, ASP167R, ASP169O, ASP169R, ASP176O, ASP176R, ASP17O, ASP17R, ASP198O, ASP210O, ASP210R, ASP251O, ASP251R, ASP255O, ASP255R, ASP348O, ASP348R, GLN185O, GLN185R, GLU187O, GLU187R, GLY164O, GLY164R, GLY173O, GLY253O, GLY253R, HIS180O, HIS180R, HIS441O, HIS441R, ILE177O, ILE177R, ILE201O, ILE201R, LEU186O, LEU186R, LYS136O, LYS136R, LYS137O, LYS137R, LYS188O, LYS188R, LYS189O, LYS189R, LYS192O, LYS192R, LYS216O, LYS216R, LYS223O, LYS223R, LYS248O, LYS248R, LYS365O, LYS365R, PHE254O, PHE254R, SER175O, SER175R, TYR252O, TYR252R, VAL171O, VAL171R |
Q-T |
-195.0842 |
-15.4201 |
73 |
ARG250Q, ARG250T, ARG256Q, ARG256T, ASN200T, ASN350Q, ASP121Q, ASP121T, ASP123Q, ASP123T, ASP14Q, ASP14T, ASP166Q, ASP167Q, ASP167T, ASP169Q, ASP169T, ASP176Q, ASP176T, ASP17Q, ASP17T, ASP210Q, ASP210T, ASP251Q, ASP251T, ASP255Q, ASP255T, ASP348Q, ASP348T, GLN185Q, GLN185T, GLU187Q, GLU187T, GLY164Q, GLY164T, GLY173Q, GLY253Q, GLY253T, HIS180Q, HIS180T, HIS441Q, HIS441T, ILE177Q, ILE177T, ILE201Q, ILE201T, LEU186Q, LEU186T, LYS136Q, LYS136T, LYS137Q, LYS137T, LYS188Q, LYS188T, LYS189Q, LYS189T, LYS192Q, LYS192T, LYS216Q, LYS216T, LYS223Q, LYS223T, LYS248Q, LYS248T, LYS365Q, LYS365T, PHE254Q, PHE254T, SER175T, TYR252Q, TYR252T, VAL171Q, VAL171T |
Q-U |
-96.5296 |
-130.0833 |
47 |
ARG330U, ARG358U, ARG376U, ARG393U, ARG394U, ARG81Q, ASN116Q, ASN359U, ASP112Q, ASP155Q, ASP235Q, ASP293Q, ASP383U, ASP412U, GLN115Q, GLU128Q, GLU195Q, GLU197Q, GLU233Q, GLU234Q, GLU240Q, GLU311Q, GLU356U, GLU387U, GLU391U, GLU407U, GLU425U, GLU8U, GLY380U, HIS130Q, LEU5U, LYS114Q, LYS136Q, LYS153Q, LYS154Q, LYS294Q, LYS328Q, LYS328U, LYS331U, LYS371U, LYS378U, LYS410U, LYS7U, LYS83Q, SER307Q, TYR9U, VAL297Q |
R-S |
-113.4662 |
-125.3088 |
54 |
ALA302R, ALA424S, ARG330S, ARG358S, ARG376S, ARG393S, ARG394S, ARG81R, ASN116R, ASN359S, ASP112R, ASP155R, ASP235R, ASP293R, ASP383S, ASP412S, GLN115R, GLN215R, GLU128R, GLU195R, GLU197R, GLU233R, GLU234R, GLU240R, GLU311R, GLU356S, GLU387S, GLU391S, GLU407S, GLU425S, GLU8S, GLY133R, GLY377S, GLY380S, HIS130R, LEU5S, LYS114R, LYS136R, LYS153R, LYS154R, LYS294R, LYS328R, LYS328S, LYS331S, LYS371S, LYS378S, LYS410S, LYS7S, LYS83R, SER307R, SER397S, THR405S, TYR138R, VAL297R |
R-T |
-135.6944 |
-154.6786 |
52 |
ALA302T, ALA424R, ARG330R, ARG358R, ARG376R, ARG393R, ARG394R, ARG81T, ASN116T, ASN359R, ASP112T, ASP155T, ASP235T, ASP293T, ASP383R, ASP412R, GLN115T, GLU128T, GLU195T, GLU197T, GLU233T, GLU234T, GLU240T, GLU311T, GLU356R, GLU387R, GLU391R, GLU407R, GLU425R, GLU8R, GLY133T, GLY377R, GLY380R, HIS130T, LEU5R, LYS114T, LYS136T, LYS153T, LYS154T, LYS294T, LYS328R, LYS328T, LYS331R, LYS371R, LYS378R, LYS410R, LYS7R, LYS83T, SER238T, SER307T, TYR131T, VAL297T |
S-T |
-101.0605 |
-150.9857 |
48 |
ALA302S, ALA424T, ARG330T, ARG358T, ARG376T, ARG393T, ARG394T, ARG81S, ASN116S, ASN359T, ASP112S, ASP155S, ASP235S, ASP293S, ASP383T, ASP412T, GLN115S, GLU128S, GLU195S, GLU197S, GLU233S, GLU234S, GLU240S, GLU311S, GLU356T, GLU387T, GLU391T, GLU407T, GLU425T, GLU8T, GLY380T, HIS130S, LYS114S, LYS136S, LYS153S, LYS154S, LYS294S, LYS328S, LYS328T, LYS331T, LYS371T, LYS378T, LYS410T, LYS7T, LYS83S, SER307S, TYR9T, VAL297S |
S-V |
-199.6663 |
-20.9306 |
69 |
ARG250S, ARG250V, ARG256S, ARG256V, ASN350S, ASP123S, ASP123V, ASP14S, ASP14V, ASP166S, ASP167S, ASP167V, ASP169S, ASP169V, ASP176S, ASP176V, ASP17S, ASP17V, ASP210S, ASP210V, ASP251S, ASP251V, ASP255S, ASP255V, ASP348S, ASP348V, GLN185S, GLN185V, GLU187S, GLU187V, GLY164S, GLY164V, GLY173S, GLY253S, GLY253V, HIS180S, HIS180V, HIS441S, HIS441V, ILE177S, ILE177V, ILE201S, ILE201V, LEU186S, LEU186V, LYS136S, LYS136V, LYS137S, LYS137V, LYS188S, LYS188V, LYS189S, LYS189V, LYS192S, LYS192V, LYS216S, LYS216V, LYS223S, LYS223V, LYS248S, LYS248V, LYS365S, LYS365V, PHE254S, PHE254V, SER175V, TYR252V, VAL171S, VAL171V |
U-X |
-187.1211 |
-30.6399 |
67 |
ARG250U, ARG250X, ARG256U, ARG256X, ASP123U, ASP123X, ASP14U, ASP14X, ASP166X, ASP167U, ASP167X, ASP169U, ASP169X, ASP176U, ASP176X, ASP17U, ASP17X, ASP210U, ASP210X, ASP251U, ASP251X, ASP255U, ASP255X, ASP348U, ASP348X, GLN185U, GLN185X, GLU187U, GLU187X, GLY164U, GLY164X, GLY173U, GLY253U, GLY253X, HIS180U, HIS180X, HIS441U, HIS441X, ILE177U, ILE177X, ILE201U, ILE201X, LEU186U, LEU186X, LYS136U, LYS136X, LYS137U, LYS137X, LYS188U, LYS188X, LYS189U, LYS189X, LYS192U, LYS192X, LYS216U, LYS216X, LYS223U, LYS223X, LYS248U, LYS248X, LYS365U, LYS365X, PHE254U, PHE254X, TYR252X, VAL171U, VAL171X |
V-W |
-105.6791 |
-133.2653 |
52 |
ALA302V, ALA424W, ARG330W, ARG358W, ARG376W, ARG393W, ARG394W, ARG81V, ASN116V, ASN359W, ASP112V, ASP155V, ASP235V, ASP293V, ASP383W, ASP412W, GLN115V, GLU128V, GLU195V, GLU197V, GLU233V, GLU234V, GLU240V, GLU311V, GLU356W, GLU387W, GLU391W, GLU407W, GLU425W, GLU8W, GLY133V, GLY377W, GLY380W, HIS130V, LEU5W, LYS114V, LYS136V, LYS153V, LYS154V, LYS294V, LYS328V, LYS328W, LYS331W, LYS371W, LYS378W, LYS410W, LYS7W, LYS83V, SER307V, SER397W, TYR9W, VAL297V |
V-X |
-96.5415 |
-147.1576 |
49 |
ALA302X, ALA424V, ARG330V, ARG358V, ARG376V, ARG393V, ARG394V, ARG81X, ASN116X, ASN359V, ASP112X, ASP155X, ASP235X, ASP293X, ASP383V, ASP412V, GLN115X, GLU128X, GLU195X, GLU197X, GLU233X, GLU234X, GLU240X, GLU311X, GLU356V, GLU387V, GLU391V, GLU407V, GLU425V, GLU8V, GLY380V, HIS130X, LEU5V, LYS114X, LYS136X, LYS153X, LYS154X, LYS294X, LYS328V, LYS328X, LYS331V, LYS371V, LYS378V, LYS410V, LYS7V, LYS83X, SER238X, SER307X, VAL297X |
W-X |
-104.6312 |
-145.0669 |
46 |
ARG330X, ARG358X, ARG376X, ARG393X, ARG394X, ARG81W, ASN116W, ASN359X, ASP112W, ASP155W, ASP235W, ASP293W, ASP383X, ASP412X, GLN115W, GLU128W, GLU195W, GLU197W, GLU233W, GLU234W, GLU240W, GLU311W, GLU356X, GLU387X, GLU391X, GLU407X, GLU425X, GLU8X, GLY380X, HIS130W, LYS114W, LYS136W, LYS153W, LYS154W, LYS294W, LYS328W, LYS328X, LYS331X, LYS371X, LYS378X, LYS410X, LYS7X, LYS83W, SER307W, SER397X, VAL297W |
|