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. |
M-N |
-138.7362 |
-202.5607 |
-994.988 |
-1336.2849 |
431 |
64 |
18 |
44425 |
16 |
196 |
180 |
|
M-O |
-134.2755 |
-199.1413 |
-989.157 |
-1322.5738 |
432 |
61 |
17 |
44049 |
16 |
195 |
180 |
|
M-P |
0.0 |
-2.1565 |
-2.166 |
-4.3225 |
21 |
0 |
0 |
274 |
0 |
4 |
7 |
|
M-V |
0.0 |
-4.0124 |
-2.5938 |
-6.6062 |
21 |
0 |
0 |
313 |
0 |
4 |
7 |
|
M-k |
-12.7861 |
8.283 |
6 |
ARG131k, ARG54M, ASP325M, ASP339M, SER136k, TYR53M |
M-l |
-5.7048 |
-39.0298 |
15 |
ARG122l, ARG125l, ARG90l, ASP364M, ASP378M, GLU112l, GLU354M, GLU360M, GLU379M, GLU46l, HIS361M, LYS108l, LYS111l, LYS124l, LYS52l |
M-m |
-35.5131 |
18.149 |
8 |
ALA126m, ARG125m, ARG343M, ARG54M, ASN138m, GLY137m, TYR128m, TYR53M |
M-n |
-42.4165 |
-38.8109 |
13 |
ARG125n, ARG376M, ASN380M, ASP367M, ASP368M, ASP378M, ASP383M, GLU112n, GLU379M, HIS85n, LYS102n, LYS108n, THR377M |
N-O |
0.0 |
-2.2539 |
-2.2552 |
-4.509 |
21 |
0 |
0 |
288 |
0 |
4 |
7 |
|
N-V |
-144.4473 |
-197.2384 |
-992.46 |
-1334.1457 |
433 |
72 |
17 |
44655 |
16 |
195 |
183 |
|
N-W |
0.0 |
-3.9787 |
-2.6313 |
-6.61 |
22 |
0 |
0 |
321 |
0 |
4 |
8 |
|
N-k |
-39.3126 |
17.284 |
9 |
ALA126k, ARG125k, ARG343N, ARG54N, ASN138k, ASP339N, GLY137k, TYR128k, TYR53N |
N-l |
-43.3286 |
-39.9763 |
13 |
ARG125l, ARG376N, ASN380N, ASP367N, ASP368N, ASP378N, ASP383N, GLU112l, GLU379N, HIS85l, LYS102l, LYS108l, THR377N |
N-m |
-6.0185 |
-36.8262 |
15 |
ARG122m, ARG125m, ARG90m, ASP364N, ASP378N, GLU112m, GLU354N, GLU360N, GLU379N, GLU46m, HIS361N, LYS108m, LYS111m, LYS124m, LYS52m |
N-v |
-14.2223 |
8.0929 |
6 |
ARG131v, ARG54N, ASP325N, ASP339N, SER136v, TYR53N |
O-P |
-143.3092 |
-200.6065 |
-1011.58 |
-1355.4958 |
435 |
75 |
18 |
45605 |
16 |
201 |
183 |
|
O-Q |
0.0 |
-2.6759 |
-2.1644 |
-4.8403 |
21 |
0 |
0 |
279 |
0 |
4 |
7 |
|
O-l |
-36.4898 |
18.1814 |
8 |
ALA126l, ARG125l, ARG343O, ARG54O, ASN138l, GLY137l, TYR128l, TYR53O |
O-m |
-3.2446 |
8.353 |
3 |
ARG131m, ARG54O, ASP339O |
O-n |
-3.6498 |
-39.1167 |
15 |
ARG122n, ARG125n, ARG90n, ASP364O, ASP378O, GLU112n, GLU354O, GLU360O, GLU379O, GLU46n, HIS361O, LYS108n, LYS111n, LYS124n, LYS52n |
O-o |
-37.6149 |
-38.7217 |
13 |
ARG125o, ARG376O, ASN380O, ASP367O, ASP368O, ASP378O, ASP383O, GLU112o, GLU379O, HIS85o, LYS102o, LYS108o, THR377O |
P-Q |
-135.2917 |
-200.6752 |
-998.772 |
-1334.739 |
433 |
69 |
18 |
44868 |
16 |
196 |
182 |
|
P-R |
0.0 |
-4.7039 |
-2.2495 |
-6.9534 |
21 |
0 |
0 |
293 |
0 |
4 |
8 |
|
P-l |
-10.8604 |
7.8766 |
7 |
ARG131l, ARG54P, ASP325P, ASP339P, GLN52P, SER130l, SER136l |
P-n |
-39.8733 |
17.0047 |
9 |
ALA126n, ARG125n, ARG343P, ARG54P, ASN138n, GLN52P, GLY137n, TYR128n, TYR53P |
P-o |
-5.8055 |
-36.6499 |
15 |
ARG122o, ARG125o, ARG90o, ASP364P, ASP378P, GLU112o, GLU354P, GLU360P, GLU379P, GLU46o, HIS361P, LYS108o, LYS111o, LYS124o, LYS52o |
P-p |
-36.3961 |
-38.5564 |
13 |
ARG125p, ARG376P, ASN380P, ASP367P, ASP368P, ASP378P, ASP383P, GLU112p, GLU379P, HIS85p, LYS102p, LYS108p, THR377P |
Q-R |
-133.7948 |
-206.4898 |
-989.902 |
-1330.1866 |
435 |
73 |
17 |
44983 |
16 |
195 |
186 |
|
Q-X |
0.0 |
-4.1937 |
-0.4905 |
-4.6843 |
12 |
0 |
0 |
81 |
0 |
2 |
5 |
|
Q-n |
-17.7453 |
7.9177 |
8 |
ARG131n, ARG54Q, ASP325Q, ASP339Q, GLN52Q, SER130n, SER136n, TYR53Q |
Q-o |
-38.5363 |
17.7662 |
8 |
ALA126o, ARG125o, ARG343Q, ARG54Q, ASN138o, GLY137o, TYR128o, TYR53Q |
Q-p |
-6.3075 |
-36.6907 |
15 |
ARG122p, ARG125p, ARG90p, ASP364Q, ASP378Q, GLU112p, GLU354Q, GLU360Q, GLU379Q, GLU46p, HIS361Q, LYS108p, LYS111p, LYS124p, LYS52p |
Q-r |
-41.0445 |
-39.5698 |
18 |
ARG125-3.7496963.218826, ARG125r, ARG376Q, ASN380Q, ASP367Q, ASP368Q, ASP378Q, ASP383Q, GLU112-6.9030293.115915, GLU112-7.9612662.950319, GLU112r, GLU379Q, HIS85r, LYS102-10.8914942.766536, LYS102-11.5390592.714637, LYS102r, LYS108r, THR377Q |
R-U |
0.0 |
-4.0307 |
-2.6346 |
-6.6653 |
21 |
0 |
0 |
313 |
0 |
4 |
7 |
|
R-X |
-134.8868 |
-198.7855 |
-207.847 |
-541.5193 |
187 |
13 |
2 |
9901 |
2 |
81 |
77 |
|
R-o |
-13.6273 |
8.2831 |
6 |
ARG131o, ARG54R, ASP325R, ASP339R, SER136o, TYR53R |
R-p |
-35.142 |
18.4883 |
8 |
ALA126p, ARG125p, ARG343R, ARG54R, ASN138p, GLY137p, TYR128p, TYR53R |
R-q |
-41.5303 |
-38.6313 |
13 |
ARG125q, ARG376R, ASN380R, ASP367R, ASP368R, ASP378R, ASP383R, GLU112q, GLU379R, HIS85q, LYS102q, LYS108q, THR377R |
R-r |
-3.6139 |
-38.8308 |
16 |
ARG122r, ARG125r, ARG90-3.6138912.945175, ARG90r, ASP364R, ASP378R, GLU112r, GLU354R, GLU360R, GLU379R, GLU46r, HIS361R, LYS108r, LYS111r, LYS124r, LYS52r |
S-T |
-133.8564 |
-201.7092 |
-991.993 |
-1327.5586 |
433 |
60 |
18 |
44636 |
16 |
200 |
182 |
|
S-U |
-133.3643 |
-200.3568 |
-965.62 |
-1299.3411 |
429 |
53 |
17 |
43893 |
16 |
195 |
179 |
|
S-W |
0.0 |
-2.1095 |
-2.1015 |
-4.211 |
21 |
0 |
0 |
274 |
0 |
4 |
7 |
|
S-X |
0.0 |
-2.063 |
0.0 |
-2.063 |
3 |
0 |
0 |
0 |
0 |
0 |
0 |
|
S-q |
-13.247 |
8.0728 |
6 |
ARG131q, ARG54S, ASP325S, ASP339S, SER136q, TYR53S |
S-s |
-16.6755 |
-35.0442 |
17 |
ALA126s, ARG122s, ARG125s, ARG90s, ASP364S, ASP378S, GLU112s, GLU354S, GLU360S, GLU379S, GLU46s, HIS361S, LYS108s, LYS111s, LYS124s, LYS52s, TYR115s |
S-t |
-39.4741 |
17.5414 |
9 |
ALA126t, ARG125t, ARG343S, ARG54S, ASN138t, ASP339S, GLY137t, TYR128t, TYR53S |
S-u |
-36.388 |
-39.1244 |
13 |
ARG125u, ARG376S, ASN380S, ASP367S, ASP368S, ASP378S, ASP383S, GLU112u, GLU379S, HIS85u, LYS102u, LYS108u, THR377S |
T-U |
0.0 |
-2.2393 |
-2.3091 |
-4.5484 |
20 |
0 |
0 |
286 |
0 |
4 |
6 |
|
T-V |
0.0 |
-4.1597 |
-2.388 |
-6.5476 |
22 |
0 |
0 |
303 |
0 |
4 |
8 |
|
T-W |
-131.2292 |
-196.4155 |
-993.584 |
-1321.2287 |
432 |
64 |
17 |
44449 |
16 |
193 |
180 |
|
T-s |
-40.377 |
18.2186 |
9 |
ALA126s, ARG125s, ARG343T, ARG54T, ASN138s, ASP339T, GLY137s, TYR128s, TYR53T |
T-t |
-13.9063 |
8.2454 |
6 |
ARG131t, ARG54T, ASP325T, ASP339T, SER136t, TYR53T |
T-u |
-7.8781 |
-38.0501 |
16 |
ARG122u, ARG125u, ARG90u, ASP364T, ASP378T, GLU112u, GLU354T, GLU360T, GLU379T, GLU46u, HIS361T, LYS108u, LYS111u, LYS124u, LYS52u, TYR115u |
T-v |
-36.5907 |
-38.8761 |
13 |
ARG125v, ARG376T, ASN380T, ASP367T, ASP368T, ASP378T, ASP383T, GLU112v, GLU379T, HIS85v, LYS102v, LYS108v, THR377T |
U-X |
-139.3984 |
-200.9911 |
-417.041 |
-757.4305 |
263 |
20 |
4 |
20020 |
7 |
125 |
106 |
|
U-q |
-39.3684 |
17.1127 |
10 |
ALA126q, ARG125q, ARG343U, ARG54U, ASN138q, ASP339U, GLN52U, GLY137q, TYR128q, TYR53U |
U-r |
-17.6893 |
8.023 |
10 |
ARG131-3.5389732.954599, ARG131-7.1314733.257084, ARG131r, ARG54U, ASP325U, ASP339U, GLN52U, SER130-3.8712433.238047, SER136-3.1476133.246829, TYR53U |
U-s |
-36.1142 |
-36.7985 |
13 |
ARG125s, ARG376U, ASN380U, ASP367U, ASP368U, ASP378U, ASP383U, GLU112s, GLU379U, HIS85s, LYS102s, LYS108s, THR377U |
U-t |
-11.8301 |
-36.133 |
16 |
ARG122t, ARG125t, ARG90t, ASP364U, ASP378U, GLU112t, GLU354U, GLU360U, GLU379U, GLU46t, HIS361U, LYS108t, LYS111t, LYS124t, LYS52t, TYR115t |
V-W |
-148.67 |
-199.7394 |
-1022.6 |
-1371.0094 |
435 |
75 |
18 |
45227 |
16 |
193 |
182 |
|
V-k |
-6.133 |
-36.5978 |
15 |
ARG122k, ARG125k, ARG90k, ASP364V, ASP378V, GLU112k, GLU354V, GLU360V, GLU379V, GLU46k, HIS361V, LYS108k, LYS111k, LYS124k, LYS52k |
V-m |
-37.2874 |
-35.9892 |
13 |
ARG125m, ARG376V, ASN380V, ASP367V, ASP368V, ASP378V, ASP383V, GLU112m, GLU379V, HIS85m, LYS102m, LYS108m, THR377V |
V-u |
-14.6571 |
7.9708 |
6 |
ARG131u, ARG54V, ASP325V, ASP339V, SER136u, TYR53V |
V-v |
-38.5722 |
17.5481 |
9 |
ALA126v, ARG125v, ARG343V, ARG54V, ASN138v, ASP339V, GLY137v, TYR128v, TYR53V |
W-k |
-34.9918 |
-37.2905 |
13 |
ARG125k, ARG376W, ASN380W, ASP367W, ASP368W, ASP378W, ASP383W, GLU112k, GLU379W, HIS85k, LYS102k, LYS108k, THR377W |
W-s |
-15.1599 |
8.1618 |
6 |
ARG131s, ARG54W, ASP325W, ASP339W, SER136s, TYR53W |
W-u |
-43.6526 |
17.9395 |
10 |
ALA126u, ARG125u, ARG343W, ARG54W, ASN138u, ASP339W, GLN52W, GLY137u, TYR128u, TYR53W |
W-v |
-7.2159 |
-38.6161 |
16 |
ARG122v, ARG125v, ARG90v, ASP364W, ASP378W, GLU112v, GLU354W, GLU360W, GLU379W, GLU46v, HIS361W, LYS108v, LYS111v, LYS124v, LYS52v, TYR115v |
X-p |
-6.6186 |
8.3298 |
5 |
ARG131p, ARG54X, ASP325X, ASP339X, SER136p |
X-q |
-13.2027 |
-39.0414 |
18 |
ARG122q, ARG125q, ARG90q, ASN380X, ASN86q, ASP364X, ASP378X, GLU112q, GLU354X, GLU360X, GLU379X, GLU46q, HIS361X, LYS108q, LYS111q, LYS124q, LYS52q, TYR115q |
X-r |
-34.981 |
18.4161 |
8 |
ALA126-7.0568892.477346, ARG125r, ARG343X, ARG54X, ASN138-6.4961143.166672, GLY137-10.6451022.962501, TYR128-10.7829122.993889, TYR53X |
X-t |
-39.6147 |
-37.7386 |
13 |
ARG125t, ARG376X, ASN380X, ASP367X, ASP368X, ASP378X, ASP383X, GLU112t, GLU379X, HIS85t, LYS102t, LYS108t, THR377X |
k-m |
-4.3166 |
85.95 |
16 |
ARG15m, ARG76m, ARG90k, ASP22m, ASP27m, ASP35k, ASP38k, ASP39k, ASP50k, ASP94k, GLU46k, GLU98k, HIS85m, LYS102m, LYS111k, TYR109m |
k-v |
0.0 |
85.3064 |
14 |
ARG15k, ARG76k, ARG90v, ASP22k, ASP27k, ASP35v, ASP38v, ASP39v, ASP50v, ASP94v, GLU46v, GLU98v, HIS85k, LYS102k |
l-m |
0.0 |
84.8124 |
14 |
ARG15l, ARG76l, ARG90m, ASP22l, ASP27l, ASP35m, ASP38m, ASP39m, ASP50m, ASP94m, GLU46m, GLU98m, HIS85l, LYS102l |
l-n |
-5.0873 |
84.2366 |
16 |
ARG15n, ARG76n, ARG90l, ASP22n, ASP27n, ASP35l, ASP38l, ASP39l, ASP50l, ASP94l, GLU46l, GLU98l, HIS85n, LYS102n, LYS111l, TYR109n |
n-o |
-3.343 |
86.286 |
16 |
ARG15o, ARG76o, ARG90n, ASP22o, ASP27o, ASP35n, ASP38n, ASP39n, ASP50n, ASP94n, GLU46n, GLU98n, HIS85o, LYS102o, LYS111n, TYR109o |
o-p |
-3.8367 |
87.6871 |
16 |
ARG15p, ARG76p, ARG90o, ASP22p, ASP27p, ASP35o, ASP38o, ASP39o, ASP50o, ASP94o, GLU46o, GLU98o, HIS85p, LYS102p, LYS111o, TYR109p |
p-r |
-3.3965 |
85.1468 |
16 |
ARG15r, ARG76r, ARG90p, ASP22r, ASP27r, ASP35p, ASP38p, ASP39p, ASP50p, ASP94p, GLU46p, GLU98p, HIS85r, LYS102r, LYS111p, TYR109-3.3964752.995365 |
q-r |
-5.933 |
84.1708 |
16 |
ARG15q, ARG76q, ARG90r, ASP22q, ASP27q, ASP35r, ASP38r, ASP39r, ASP50r, ASP94r, GLN49-5.9330073.253578, GLU46r, GLU98r, HIS85q, LEU113q, LYS102q |
q-t |
-9.7121 |
87.1716 |
18 |
ARG15t, ARG76t, ARG90q, ASP22t, ASP27t, ASP35q, ASP38q, ASP39q, ASP50q, ASP94q, GLN49q, GLU46q, GLU98q, HIS85t, LEU113t, LYS102t, LYS111q, TYR109t |
s-t |
0.0 |
84.6631 |
14 |
ARG15s, ARG76s, ARG90t, ASP22s, ASP27s, ASP35t, ASP38t, ASP39t, ASP50t, ASP94t, GLU46t, GLU98t, HIS85s, LYS102s |
s-u |
-4.0697 |
85.3411 |
16 |
ARG15u, ARG76u, ARG90s, ASP22u, ASP27u, ASP35s, ASP38s, ASP39s, ASP50s, ASP94s, GLU46s, GLU98s, HIS85u, LYS102u, LYS111s, TYR109u |
u-v |
-4.5098 |
83.6656 |
16 |
ARG15v, ARG76v, ARG90u, ASP22v, ASP27v, ASP35u, ASP38u, ASP39u, ASP50u, ASP94u, GLU46u, GLU98u, HIS85v, LYS102v, LYS111u, TYR109v |
|