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 |
-132.8123 |
-44.0936 |
-593.296 |
-770.2019 |
202 |
32 |
12 |
24023 |
8 |
49 |
48 |
|
A-C |
0.0 |
0.0 |
-0.2524 |
-0.2524 |
5 |
0 |
0 |
51 |
0 |
1 |
2 |
|
A-D |
0.0 |
0.0 |
-0.2146 |
-0.2146 |
5 |
0 |
0 |
44 |
0 |
1 |
2 |
|
A-E |
-114.9694 |
-32.1557 |
-593.732 |
-740.8571 |
199 |
24 |
12 |
23684 |
9 |
48 |
47 |
|
B-C |
-131.0497 |
-36.0519 |
-637.026 |
-804.1276 |
203 |
32 |
12 |
24605 |
9 |
48 |
48 |
|
B-D |
0.0 |
0.0 |
-0.2254 |
-0.2254 |
5 |
0 |
0 |
44 |
0 |
1 |
2 |
|
B-E |
0.0 |
0.0 |
-0.2338 |
-0.2338 |
5 |
0 |
0 |
48 |
0 |
1 |
2 |
|
C-D |
-123.0498 |
-36.8639 |
-617.829 |
-777.7427 |
201 |
29 |
12 |
24161 |
9 |
48 |
48 |
|
C-E |
0.0 |
0.0 |
-0.2574 |
-0.2574 |
5 |
0 |
0 |
52 |
0 |
1 |
2 |
|
C-S |
0.0 |
5.5172 |
4 |
GLU38C, GLU38S, LYS33C, LYS33S |
C-T |
-21.8888 |
-17.2994 |
10 |
ALA143C, ALA316T, ALA58C, ARG55C, ASN59C, GLU274T, LYS267T, LYS33C, PHE244T, SER246T |
D-E |
-107.632 |
-36.2183 |
-601.923 |
-745.7733 |
200 |
21 |
12 |
23797 |
9 |
48 |
47 |
|
D-M |
0.0 |
5.5968 |
-59.7992 |
-54.2024 |
23 |
0 |
1 |
2196 |
0 |
10 |
9 |
|
D-N |
-16.043 |
-17.2133 |
8 |
ALA143D, ALA316N, ARG55D, ASN59D, GLU274N, LYS267N, LYS33D, PHE244N |
D-S |
-28.8491 |
-17.9826 |
12 |
ALA143S, ALA316D, ARG55S, ASN59S, GLU151S, GLU274D, LYS267D, LYS33S, PHE244D, PHE32S, THR103S, TYR272D |
E-M |
-21.9309 |
-16.7621 |
-273.992 |
-312.6851 |
96 |
13 |
13 |
11627 |
1 |
16 |
12 |
|
F-G |
-118.0798 |
-21.5514 |
-616.879 |
-756.5102 |
205 |
32 |
12 |
24349 |
7 |
48 |
48 |
|
F-H |
0.0 |
0.0 |
-0.3514 |
-0.3514 |
5 |
0 |
0 |
63 |
0 |
2 |
2 |
|
F-I |
0.0 |
0.0 |
-0.3897 |
-0.3897 |
5 |
0 |
0 |
66 |
0 |
2 |
2 |
|
F-J |
-157.0456 |
-25.5646 |
-655.289 |
-837.8992 |
205 |
39 |
12 |
24981 |
9 |
50 |
47 |
|
G-H |
-135.4628 |
-40.447 |
-654.283 |
-830.1929 |
204 |
39 |
13 |
25163 |
9 |
50 |
49 |
|
G-I |
0.0 |
0.0 |
-0.3804 |
-0.3804 |
5 |
0 |
0 |
62 |
0 |
2 |
2 |
|
G-J |
0.0 |
0.0 |
-0.35 |
-0.35 |
5 |
0 |
0 |
61 |
0 |
2 |
2 |
|
H-I |
-130.4921 |
-29.9581 |
-632.917 |
-793.3672 |
203 |
41 |
12 |
24721 |
9 |
50 |
47 |
|
H-J |
0.0 |
0.0 |
-0.3913 |
-0.3913 |
5 |
0 |
0 |
65 |
0 |
2 |
2 |
|
H-K |
-24.4088 |
-17.6717 |
-274.695 |
-316.7755 |
102 |
25 |
14 |
12235 |
1 |
17 |
11 |
|
H-O |
-5.4744 |
6.2227 |
5 |
GLU38H, GLU38O, GLY34H, LYS33H, LYS33O |
I-J |
-116.6757 |
-43.4387 |
-628.756 |
-788.8704 |
199 |
27 |
13 |
24226 |
9 |
48 |
48 |
|
I-O |
-34.27 |
-20.197 |
11 |
ALA143O, ALA316I, ARG55O, ASN59O, GLU141O, GLU274I, LYS267I, LYS33O, PHE244I, PHE32O, SER318I |
I-Q |
0.0 |
6.0911 |
4 |
GLU38I, GLU38Q, LYS33I, LYS33Q |
I-R |
-28.9741 |
-18.8401 |
12 |
ALA143I, ALA316R, ARG55I, ARG5I, ASN59I, GLU141I, GLU274R, LYS267R, LYS33I, PHE244R, PHE32I, SER318R |
J-Q |
-31.4899 |
-18.2379 |
11 |
ALA143Q, ALA316J, ARG55Q, ASN59Q, GLU141Q, GLU274J, LYS267J, LYS33Q, PHE244J, PHE32Q, SER318J |
K-L |
-122.3172 |
-37.7915 |
-602.521 |
-762.6297 |
201 |
31 |
12 |
23968 |
9 |
49 |
47 |
|
K-O |
-128.9182 |
-33.0324 |
49 |
ALA296K, ARG284K, ARG289K, ARG293K, ARG469O, ARG485K, ASP346K, ASP352K, ASP427O, ASP433O, ASP476O, GLN405K, GLU158O, GLU254K, GLU264K, GLU344K, GLU383K, GLU38O, GLU411K, GLU411O, GLU445K, GLU449O, GLY413K, GLY413O, GLY417O, GLY434O, HIS437O, ILE41O, LEU408K, LYS121O, LYS267K, LYS282K, LYS403K, LYS414K, LYS414O, LYS423O, LYS443K, LYS443O, LYS482K, MET430O, PHE412K, PHE455O, PRO341K, SER339K, SER342K, SER415O, TYR467O, VAL349K, VAL438O |
L-M |
-132.2945 |
-49.4666 |
-421.739 |
-603.5002 |
161 |
15 |
9 |
16411 |
7 |
32 |
25 |
|
M-N |
-136.7533 |
-32.3452 |
46 |
ALA296N, ARG284N, ARG289N, ARG293N, ARG469M, ARG485N, ASP346N, ASP352N, ASP427M, ASP433M, ASP476M, GLN405N, GLU158M, GLU254N, GLU264N, GLU344N, GLU383N, GLU38M, GLU411M, GLU411N, GLU445N, GLU449M, GLY413M, GLY413N, GLY417M, GLY434M, HIS437M, ILE41M, LEU408N, LYS121M, LYS267N, LYS282N, LYS403N, LYS414M, LYS414N, LYS423M, LYS443M, LYS443N, LYS482N, PHE412N, PHE455M, SER339N, SER342N, SER415M, VAL349N, VAL438M |
N-O |
-119.1686 |
-34.9631 |
46 |
ARG284O, ARG289O, ARG293O, ARG469N, ARG485O, ASP346O, ASP352O, ASP427N, ASP433N, ASP476N, GLN405O, GLU158N, GLU254O, GLU264O, GLU344O, GLU383O, GLU38N, GLU411N, GLU411O, GLU445O, GLU449N, GLY413N, GLY413O, GLY417N, GLY434N, HIS437N, ILE41N, LEU408O, LYS121N, LYS267O, LYS282O, LYS403O, LYS414N, LYS414O, LYS423N, LYS443N, LYS443O, LYS482O, MET430N, PHE412O, PHE455N, SER339O, SER342O, SER415N, VAL349O, VAL438N |
N-R |
0.0 |
5.3813 |
4 |
GLU38N, GLU38R, LYS33N, LYS33R |
N-S |
-31.0082 |
-17.4851 |
14 |
ALA143N, ALA316S, ALA58N, ARG55N, ASN59N, GLU141N, GLU151N, GLU274S, LYS267S, LYS33N, PHE244S, SER246S, SER318S, TYR272S |
O-R |
-24.0903 |
-15.9035 |
9 |
ALA143R, ALA316O, ARG55R, ASN59R, GLU274O, LYS267O, LYS33R, PHE244O, THR103R |
P-Q |
-121.953 |
-34.023 |
47 |
ALA296Q, ARG284Q, ARG289Q, ARG293Q, ARG469P, ARG485Q, ASP346Q, ASP352Q, ASP427P, ASP433P, ASP476P, GLN405Q, GLU158P, GLU254Q, GLU264Q, GLU344Q, GLU383Q, GLU38P, GLU411P, GLU411Q, GLU445Q, GLU449P, GLY413P, GLY413Q, GLY417P, GLY434P, HIS437P, ILE41P, LEU408Q, LYS121P, LYS267Q, LYS282Q, LYS403Q, LYS414P, LYS414Q, LYS423P, LYS443P, LYS443Q, LYS482Q, PHE412Q, PHE455P, PRO341Q, SER342Q, SER415P, THR42P, VAL349Q, VAL438P |
P-T |
-128.6499 |
-39.8464 |
48 |
ALA296P, ARG284P, ARG289P, ARG293P, ARG469T, ARG485P, ASP346P, ASP352P, ASP427T, ASP433T, ASP476T, GLN405P, GLU158T, GLU254P, GLU264P, GLU344P, GLU383P, GLU38T, GLU411P, GLU411T, GLU445P, GLU449T, GLY413P, GLY413T, GLY417T, GLY434T, HIS437T, ILE41T, LEU408P, LYS121T, LYS267P, LYS282P, LYS403P, LYS414P, LYS414T, LYS423T, LYS443P, LYS443T, LYS482P, PHE412P, PHE455T, PRO341P, SER339P, SER342P, SER415T, TYR467T, VAL349P, VAL438T |
Q-R |
-124.2271 |
-44.038 |
47 |
ALA296R, ALA456Q, ARG284R, ARG289R, ARG293R, ARG469Q, ARG485R, ASP346R, ASP352R, ASP427Q, ASP433Q, ASP476Q, GLN405R, GLU158Q, GLU254R, GLU264R, GLU344R, GLU383R, GLU38Q, GLU411Q, GLU411R, GLU445R, GLU449Q, GLY413Q, GLY413R, GLY417Q, GLY434Q, HIS437Q, ILE41Q, LEU408R, LYS121Q, LYS267R, LYS282R, LYS403R, LYS414Q, LYS414R, LYS423Q, LYS443Q, LYS443R, LYS482R, PHE412R, PHE455Q, SER342R, SER415Q, THR42Q, VAL349R, VAL438Q |
R-S |
-117.806 |
-29.6676 |
46 |
ALA296S, ARG284S, ARG289S, ARG293S, ARG469R, ARG485S, ASP346S, ASP352S, ASP427R, ASP433R, ASP476R, GLN405S, GLU158R, GLU254S, GLU264S, GLU344S, GLU383S, GLU38R, GLU411R, GLU411S, GLU445S, GLU449R, GLY413R, GLY413S, GLY417R, GLY434R, HIS437R, ILE41R, LEU408S, LYS121R, LYS267S, LYS282S, LYS403S, LYS414R, LYS414S, LYS423R, LYS443R, LYS443S, LYS482S, PHE412S, PHE455R, PRO341S, SER342S, SER415R, VAL349S, VAL438R |
S-T |
-110.01 |
-34.7856 |
45 |
ALA296T, ARG284T, ARG289T, ARG293T, ARG469S, ARG485T, ASP346T, ASP352T, ASP427S, ASP433S, ASP476S, GLN405T, GLU158S, GLU254T, GLU264T, GLU344T, GLU383T, GLU38S, GLU411S, GLU411T, GLU445T, GLU449S, GLY413S, GLY413T, GLY417S, GLY434S, HIS437S, ILE41S, LEU408T, LYS121S, LYS267T, LYS282T, LYS403T, LYS414S, LYS414T, LYS423S, LYS443S, LYS443T, LYS482T, PHE412T, PHE455S, SER342T, SER415S, VAL349T, VAL438S |
|