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 |
0.0 |
0.0 |
-0.0399 |
-0.0399 |
3 |
0 |
0 |
20 |
0 |
0 |
0 |
|
A-C |
0.0 |
0.0 |
-0.0034 |
-0.0034 |
2 |
0 |
0 |
4 |
0 |
1 |
0 |
|
A-D |
-85.1492 |
-72.7818 |
-511.034 |
-668.9651 |
242 |
24 |
11 |
23026 |
4 |
58 |
77 |
|
A-E |
-62.0537 |
-2.5575 |
-450.025 |
-514.6362 |
204 |
24 |
9 |
19734 |
4 |
67 |
64 |
|
A-G |
0.0 |
10.1741 |
-63.5373 |
-53.3632 |
70 |
3 |
1 |
4026 |
1 |
24 |
10 |
|
A-I |
0.0 |
0.0 |
-0.0886 |
-0.0886 |
5 |
0 |
0 |
26 |
0 |
1 |
0 |
|
A-W |
0.0 |
7.8012 |
2 |
6659CB8.7201, GLU24A5 |
B-E |
-54.271 |
-38.1362 |
-442.486 |
-534.8932 |
200 |
25 |
11 |
18897 |
3 |
43 |
50 |
|
B-F |
-86.9525 |
-14.7099 |
-637.854 |
-739.5164 |
273 |
37 |
16 |
27717 |
10 |
82 |
73 |
|
B-G |
-5.2111 |
-15.7559 |
-27.5108 |
-48.4778 |
56 |
0 |
0 |
1859 |
0 |
15 |
6 |
|
B-N |
0.0 |
-6.4013 |
-19.8402 |
-26.2415 |
19 |
1 |
0 |
773 |
1 |
14 |
12 |
|
C-D |
-38.4666 |
13.4086 |
-525.926 |
-550.9839 |
266 |
25 |
13 |
25050 |
1 |
79 |
72 |
|
C-F |
-67.4404 |
-79.6456 |
-504.835 |
-651.921 |
236 |
31 |
11 |
22589 |
5 |
58 |
75 |
|
C-G |
-20.0057 |
18.3461 |
-44.0971 |
-45.7567 |
52 |
3 |
0 |
2481 |
1 |
14 |
12 |
|
C-I |
0.0 |
0.0 |
-0.1166 |
-0.1166 |
2 |
0 |
0 |
9 |
0 |
1 |
2 |
|
D-F |
0.0 |
0.0 |
-1.3836 |
-1.3836 |
7 |
0 |
0 |
126 |
0 |
0 |
1 |
|
D-G |
0.0 |
-17.653 |
-70.1985 |
-87.8515 |
69 |
3 |
2 |
3974 |
1 |
19 |
14 |
|
D-I |
0.0 |
0.0 |
-0.0179 |
-0.0179 |
2 |
0 |
0 |
4 |
0 |
1 |
2 |
|
E-G |
-17.0835 |
-36.1727 |
-96.2723 |
-149.5285 |
64 |
10 |
2 |
4678 |
2 |
16 |
5 |
|
E-K |
0.0 |
-11.0895 |
-9.1595 |
-20.249 |
21 |
0 |
0 |
634 |
0 |
15 |
17 |
|
E-N |
0.0 |
-16.6943 |
-34.2145 |
-50.9088 |
43 |
1 |
0 |
1997 |
1 |
29 |
24 |
|
E-T |
0.0 |
-3.4759 |
2 |
GLU504T, LYS40E |
F-G |
-6.7706 |
-35.7491 |
-82.4798 |
-124.9995 |
83 |
7 |
4 |
4459 |
0 |
29 |
18 |
|
G-H |
-17.4306 |
-0.6019 |
-268.306 |
-286.3385 |
95 |
18 |
8 |
10949 |
0 |
22 |
22 |
|
G-I |
-21.1235 |
6.934 |
-221.455 |
-235.6445 |
94 |
8 |
17 |
10072 |
0 |
12 |
13 |
|
H-I |
0.0 |
0.0 |
-108.56 |
-108.56 |
64 |
3 |
8 |
6058 |
0 |
5 |
4 |
|
J-K |
0.0 |
0.0 |
-0.0131 |
-0.0131 |
3 |
0 |
0 |
11 |
0 |
0 |
0 |
|
J-M |
-59.9606 |
-83.3956 |
-510.304 |
-653.6602 |
235 |
29 |
11 |
22138 |
4 |
59 |
74 |
|
J-N |
-60.7423 |
10.2326 |
-463.292 |
-513.8017 |
216 |
21 |
10 |
20610 |
5 |
69 |
70 |
|
J-P |
-7.2577 |
-13.4134 |
-76.3063 |
-96.9775 |
74 |
9 |
3 |
4033 |
1 |
29 |
14 |
|
K-N |
-74.6139 |
-41.579 |
-446.325 |
-562.518 |
190 |
31 |
11 |
18766 |
4 |
44 |
50 |
|
K-O |
-88.3935 |
-38.8373 |
-652.253 |
-779.4838 |
278 |
38 |
17 |
28084 |
11 |
84 |
73 |
|
K-P |
0.0 |
19.7223 |
-34.069 |
-14.3467 |
57 |
0 |
0 |
2082 |
0 |
14 |
6 |
|
K-T |
0.0 |
-2.0932 |
2 |
ASP124K, LYS493T |
K-X |
-15.7689 |
11.9437 |
7 |
ASN28K, ASP436X, ASP465X, GLU29K, GLU464X, LYS430X, LYS91K |
L-M |
-55.5828 |
8.6263 |
-695.316 |
-742.2725 |
304 |
41 |
13 |
30422 |
8 |
94 |
80 |
|
L-O |
-55.902 |
-74.3794 |
-456.059 |
-586.3405 |
228 |
22 |
11 |
20664 |
6 |
58 |
70 |
|
L-P |
-12.9464 |
18.9108 |
-34.9151 |
-28.9507 |
43 |
1 |
0 |
1862 |
0 |
11 |
6 |
|
M-O |
0.0 |
0.0 |
-11.9405 |
-11.9405 |
11 |
0 |
1 |
779 |
0 |
0 |
3 |
|
M-P |
0.0 |
-13.5982 |
-73.7954 |
-87.3936 |
70 |
5 |
4 |
4103 |
2 |
27 |
22 |
|
N-P |
-18.8504 |
-58.5607 |
-107.716 |
-185.1272 |
68 |
6 |
3 |
5224 |
3 |
21 |
7 |
|
O-P |
0.0 |
-28.1127 |
-79.3524 |
-107.4651 |
80 |
3 |
5 |
4546 |
0 |
27 |
17 |
|
O-X |
0.0 |
0.6323 |
2 |
LYS176X, LYS40O |
P-Q |
0.0 |
0.0 |
-30.8981 |
-30.8981 |
57 |
5 |
5 |
2304 |
0 |
12 |
11 |
|
P-R |
0.0 |
0.0 |
-61.4024 |
-61.4024 |
63 |
3 |
8 |
3551 |
0 |
4 |
6 |
|
Q-R |
0.0 |
0.0 |
-0.8148 |
-0.8148 |
19 |
0 |
1 |
176 |
0 |
1 |
1 |
|
S-V |
-87.9028 |
-59.77 |
35 |
ARG173S, ARG212S, ARG274V, ARG288S, ARG364S, ARG82S, ASN35V, ASN57V, ASP172S, ASP330V, ASP352V, ASP38S, ASP81S, GLN282S, GLN379V, GLU126V, GLU240S, GLU294V, GLU357S, GLU56V, GLU86S, GLU88S, GLY273V, HIS118V, HIS328V, HIS53V, ILE33V, LYS152V, LYS211S, LYS382V, LYS85S, PRO122V, THR287V, TYR368V, VAL36S |
S-W |
-58.7338 |
-1.4173 |
30 |
ARG130S, ARG141S, ARG142S, ARG166S, ARG190W, ARG192W, ARG199W, ARG375S, ARG72W, ASN195W, ASP196W, ASP22W, ASP299S, ASP349S, ASP65W, GLU105W, GLU193W, GLU224W, GLU267W, GLU309S, GLU52S, GLU68W, GLU69S, GLY45S, ILE138S, LEU68S, LYS134S, LYS317S, SER346S, VAL16W |
S-Y |
0.0 |
-13.1982 |
6 |
ARG30Y, ASP335S, ASP411S, ASP413S, GLU7Y, LYS33Y |
T-W |
-47.0862 |
-44.5476 |
24 |
ARG212T, ARG274W, ARG288T, ARG82T, ASN35W, ASP330W, ASP38T, ASP81T, GLN282T, GLU126W, GLU240T, GLU294W, GLU56W, GLU86T, GLY273W, HIS118W, HIS328W, HIS53W, ILE33W, LYS152W, LYS211T, LYS85T, THR287W, VAL36T |
T-X |
-92.2768 |
-30.1359 |
45 |
ALA51T, ARG130T, ARG141T, ARG142T, ARG166T, ARG190X, ARG192X, ARG199X, ARG293T, ARG375T, ARG400T, ARG408X, ARG412X, ARG72X, ASN195X, ASP196X, ASP22X, ASP299T, ASP315X, ASP316X, ASP319X, ASP335T, ASP349T, ASP65X, GLN398T, GLU193X, GLU224X, GLU267X, GLU309T, GLU341X, GLU401T, GLU52T, GLU68X, GLU69T, GLY69X, ILE138T, ILE347T, LEU46T, LEU68T, LYS134T, SER378T, THR191X, THR348T, VAL16X, VAL423X |
T-Y |
0.0 |
-20.4763 |
2 |
ARG257Y, ASP335T |
U-V |
-48.4923 |
6.2901 |
39 |
ARG130U, ARG141U, ARG142U, ARG166U, ARG190V, ARG192V, ARG199V, ARG260V, ARG293U, ARG306U, ARG375U, ARG400U, ARG72V, ASP196V, ASP22V, ASP299U, ASP349U, ASP65V, GLN398U, GLU193V, GLU224V, GLU267V, GLU309U, GLU341V, GLU401U, GLU52U, GLU68V, GLU69U, LEU342V, LEU68U, LYS134U, LYS163V, LYS393U, SER346U, SER378U, THR191V, VAL16V, VAL279V, VAL423V |
U-X |
-68.9114 |
-74.7585 |
33 |
ARG173U, ARG212U, ARG274X, ARG82U, ASN35X, ASN57X, ASP288X, ASP330X, ASP352X, ASP38U, GLN220U, GLN282U, GLU126X, GLU240U, GLU294X, GLU29X, GLU357U, GLU376X, GLU56X, GLU86U, HIS118X, HIS328X, HIS53X, LEU351X, LYS152X, LYS211U, LYS361U, LYS382X, LYS85U, THR129X, THR287X, TYR360U, VAL36U |
U-Y |
0.0 |
6.0487 |
7 |
ARG293U, ASP269Y, ASP335U, GLU266Y, GLU294U, GLU5Y, LYS4Y |
V-Y |
0.0 |
-10.9464 |
5 |
ASP315V, ASP316V, ASP386V, LYS18Y, LYS4Y |
W-Y |
-15.1253 |
-37.117 |
9 |
ARG257Y, ARG259Y, ASP238Y, ASP316W, ASP319W, ASP386W, GLN260Y, THR264Y, VAL279W |
X-Y |
-2.738 |
-24.9608 |
4 |
ARG120Y, ARG9Y, ASP386X, GLU398X |
|