## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
p |
296 |
68 |
14020 |
◊ |
b |
x,y,z |
1_555 |
314 |
77 |
16047 |
2869.0 |
-63.4 |
0.101 |
44 |
5 |
0 |
0.000 |
2 |
2 |
|
D |
294 |
86 |
20941 |
◊ |
C |
x,y,z |
1_555 |
299 |
85 |
23520 |
2791.8 |
-22.4 |
0.079 |
32 |
15 |
0 |
0.000 |
3 |
3 |
|
B |
238 |
72 |
21048 |
◊ |
C |
x,y,z |
1_555 |
242 |
67 |
23520 |
2190.1 |
-14.4 |
0.274 |
20 |
5 |
0 |
0.000 |
4 |
|
D |
224 |
72 |
20941 |
◊ |
E |
x,y,z |
1_555 |
220 |
61 |
23189 |
2179.5 |
-10.4 |
0.302 |
18 |
9 |
0 |
0.000 |
Average: |
2184.8 |
-12.4 |
0.288 |
19 |
7 |
0 |
0.000 |
4 |
5 |
|
B |
215 |
64 |
21048 |
◊ |
A |
x,y,z |
1_555 |
216 |
58 |
23930 |
2030.2 |
-13.3 |
0.241 |
21 |
9 |
0 |
0.000 |
5 |
6 |
|
p |
180 |
36 |
14020 |
◊ |
a |
x,y,z |
1_555 |
215 |
60 |
13435 |
1940.4 |
-41.6 |
0.263 |
9 |
4 |
0 |
0.000 |
6 |
7 |
|
F |
197 |
57 |
20924 |
◊ |
E |
x,y,z |
1_555 |
196 |
60 |
23189 |
1823.3 |
-13.4 |
0.230 |
18 |
9 |
0 |
0.000 |
7 |
8 |
|
H |
178 |
45 |
5708 |
◊ |
G |
x,y,z |
1_555 |
178 |
48 |
5715 |
1773.1 |
-35.3 |
0.860 |
3 |
0 |
0 |
0.000 |
9 |
|
M |
183 |
45 |
5716 |
◊ |
L |
x,y,z |
1_555 |
180 |
48 |
5702 |
1766.5 |
-35.0 |
0.878 |
5 |
0 |
0 |
0.000 |
10 |
|
P |
182 |
45 |
5704 |
◊ |
O |
x,y,z |
1_555 |
176 |
48 |
5653 |
1766.5 |
-35.2 |
0.867 |
3 |
0 |
0 |
0.000 |
11 |
|
O |
182 |
46 |
5653 |
◊ |
N |
x,y,z |
1_555 |
177 |
48 |
5663 |
1766.3 |
-36.4 |
0.842 |
3 |
0 |
0 |
0.000 |
12 |
|
T |
176 |
48 |
5712 |
◊ |
G |
x,y,z |
1_555 |
182 |
45 |
5715 |
1764.6 |
-35.0 |
0.867 |
3 |
0 |
0 |
0.000 |
13 |
|
I |
180 |
45 |
5718 |
◊ |
H |
x,y,z |
1_555 |
176 |
48 |
5708 |
1764.4 |
-35.1 |
0.866 |
3 |
0 |
0 |
0.000 |
14 |
|
S |
179 |
45 |
5662 |
◊ |
R |
x,y,z |
1_555 |
174 |
48 |
5703 |
1761.8 |
-35.1 |
0.854 |
3 |
0 |
0 |
0.000 |
15 |
|
T |
185 |
45 |
5712 |
◊ |
S |
x,y,z |
1_555 |
174 |
48 |
5662 |
1757.4 |
-35.3 |
0.867 |
3 |
0 |
0 |
0.000 |
16 |
|
K |
180 |
45 |
5655 |
◊ |
J |
x,y,z |
1_555 |
178 |
48 |
5635 |
1754.2 |
-34.2 |
0.892 |
4 |
1 |
0 |
0.000 |
17 |
|
Q |
182 |
45 |
5703 |
◊ |
P |
x,y,z |
1_555 |
178 |
48 |
5704 |
1748.7 |
-34.8 |
0.865 |
3 |
0 |
0 |
0.000 |
18 |
|
R |
183 |
45 |
5703 |
◊ |
Q |
x,y,z |
1_555 |
176 |
48 |
5703 |
1748.4 |
-34.8 |
0.867 |
3 |
0 |
0 |
0.000 |
19 |
|
J |
176 |
44 |
5635 |
◊ |
I |
x,y,z |
1_555 |
171 |
48 |
5718 |
1746.9 |
-34.8 |
0.852 |
3 |
1 |
0 |
0.000 |
20 |
|
N |
179 |
45 |
5663 |
◊ |
M |
x,y,z |
1_555 |
174 |
48 |
5716 |
1742.0 |
-35.0 |
0.847 |
3 |
0 |
0 |
0.000 |
21 |
|
L |
179 |
45 |
5702 |
◊ |
K |
x,y,z |
1_555 |
173 |
48 |
5655 |
1720.3 |
-34.7 |
0.860 |
3 |
0 |
0 |
0.000 |
Average: |
1755.8 |
-35.1 |
0.863 |
3 |
0 |
0 |
0.000 |
8 |
22 |
|
F |
179 |
53 |
20924 |
◊ |
A |
x,y,z |
1_555 |
190 |
51 |
23930 |
1768.2 |
-12.7 |
0.221 |
16 |
3 |
0 |
0.000 |
9 |
23 |
|
g |
154 |
46 |
18388 |
◊ |
e |
x,y,z |
1_555 |
141 |
37 |
8054 |
1423.2 |
-12.5 |
0.202 |
19 |
16 |
0 |
0.000 |
10 |
24 |
|
b |
122 |
31 |
16047 |
◊ |
a |
x,y,z |
1_555 |
137 |
39 |
13435 |
1243.9 |
-19.1 |
0.633 |
8 |
4 |
0 |
0.000 |
11 |
25 |
|
A |
104 |
27 |
23930 |
◊ |
b |
x,y,z |
1_555 |
105 |
32 |
16047 |
893.5 |
-11.4 |
0.274 |
5 |
2 |
0 |
0.000 |
12 |
26 |
|
F |
87 |
25 |
20924 |
◊ |
g |
x,y,z |
1_555 |
86 |
26 |
18388 |
879.8 |
-7.3 |
0.307 |
11 |
7 |
0 |
0.000 |
13 |
27 |
|
A |
85 |
20 |
23930 |
◊ |
p |
x,y,z |
1_555 |
93 |
25 |
14020 |
873.8 |
-6.0 |
0.504 |
4 |
2 |
0 |
0.000 |
14 |
28 |
|
A |
95 |
24 |
23930 |
◊ |
d |
x,y,z |
1_555 |
88 |
23 |
11068 |
866.2 |
-4.1 |
0.542 |
14 |
5 |
0 |
0.000 |
15 |
29 |
|
d |
98 |
27 |
11068 |
◊ |
b |
x,y,z |
1_555 |
94 |
25 |
16047 |
858.9 |
-11.4 |
0.398 |
4 |
0 |
0 |
0.000 |
16 |
30 |
|
E |
79 |
19 |
23189 |
◊ |
d |
x,y,z |
1_555 |
79 |
20 |
11068 |
798.4 |
-11.5 |
0.098 |
4 |
2 |
0 |
0.000 |
17 |
31 |
|
C |
65 |
13 |
23520 |
◊ |
d |
x,y,z |
1_555 |
78 |
21 |
11068 |
716.0 |
-4.8 |
0.435 |
10 |
8 |
0 |
0.000 |
18 |
32 |
|
E |
76 |
18 |
23189 |
◊ |
g |
x,y,z |
1_555 |
68 |
22 |
18388 |
700.5 |
-9.7 |
0.102 |
2 |
4 |
0 |
0.000 |
19 |
33 |
|
D |
71 |
21 |
20941 |
◊ |
g |
x,y,z |
1_555 |
68 |
23 |
18388 |
632.2 |
-10.6 |
0.085 |
3 |
2 |
0 |
0.000 |
20 |
34 |
|
Q |
44 |
14 |
5703 |
◊ |
a |
x,y,z |
1_555 |
49 |
19 |
13435 |
451.2 |
-12.0 |
0.334 |
0 |
0 |
0 |
0.000 |
21 |
35 |
|
[ATP]B:503 |
30 |
1 |
614 |
◊ |
C |
x,y,z |
1_555 |
53 |
19 |
23520 |
379.9 |
-1.4 |
0.542 |
11 |
0 |
0 |
0.000 |
36 |
|
[ATP]E:600 |
30 |
1 |
605 |
◊ |
E |
x,y,z |
1_555 |
53 |
19 |
23189 |
376.8 |
-1.1 |
0.599 |
12 |
0 |
0 |
0.000 |
37 |
|
[ATP]A:600 |
29 |
1 |
605 |
◊ |
A |
x,y,z |
1_555 |
51 |
19 |
23930 |
349.7 |
-3.4 |
0.435 |
12 |
0 |
0 |
0.000 |
Average: |
368.8 |
-2.0 |
0.525 |
12 |
0 |
0 |
0.000 |
22 |
38 |
|
B |
38 |
11 |
21048 |
◊ |
g |
x,y,z |
1_555 |
44 |
19 |
18388 |
363.7 |
-3.8 |
0.362 |
3 |
0 |
0 |
0.000 |
23 |
39 |
|
[ADP]B:501 |
27 |
1 |
545 |
◊ |
B |
x,y,z |
1_555 |
50 |
19 |
21048 |
360.6 |
-6.2 |
0.416 |
9 |
0 |
0 |
0.000 |
40 |
|
[ADP]D:600 |
27 |
1 |
536 |
◊ |
D |
x,y,z |
1_555 |
53 |
17 |
20941 |
328.4 |
-5.6 |
0.481 |
10 |
0 |
0 |
0.000 |
Average: |
344.5 |
-5.9 |
0.449 |
10 |
0 |
0 |
0.000 |
24 |
41 |
|
A |
44 |
15 |
23930 |
◊ |
g |
x,y,z |
1_555 |
28 |
11 |
18388 |
357.2 |
-1.5 |
0.534 |
1 |
5 |
0 |
0.000 |
25 |
42 |
|
P |
35 |
12 |
5704 |
◊ |
a |
x,y,z |
1_555 |
40 |
14 |
13435 |
331.0 |
-7.8 |
0.543 |
0 |
0 |
0 |
0.000 |
26 |
43 |
|
K |
26 |
6 |
5655 |
◊ |
e |
x,y,z |
1_555 |
40 |
12 |
8054 |
247.5 |
-1.1 |
0.479 |
1 |
0 |
0 |
0.000 |
27 |
44 |
|
L |
31 |
7 |
5702 |
◊ |
e |
x,y,z |
1_555 |
27 |
9 |
8054 |
247.2 |
-0.8 |
0.466 |
2 |
0 |
0 |
0.000 |
28 |
45 |
|
R |
27 |
10 |
5703 |
◊ |
a |
x,y,z |
1_555 |
19 |
8 |
13435 |
201.5 |
-6.3 |
0.279 |
0 |
0 |
0 |
0.000 |
29 |
46 |
|
J |
23 |
5 |
5635 |
◊ |
e |
x,y,z |
1_555 |
24 |
9 |
8054 |
189.6 |
-0.3 |
0.728 |
1 |
3 |
0 |
0.000 |
30 |
47 |
|
O |
20 |
9 |
5653 |
◊ |
a |
x,y,z |
1_555 |
19 |
9 |
13435 |
176.7 |
-4.0 |
0.553 |
0 |
0 |
0 |
0.000 |
31 |
48 |
|
C |
22 |
9 |
23520 |
◊ |
g |
x,y,z |
1_555 |
22 |
8 |
18388 |
172.9 |
-2.4 |
0.323 |
1 |
0 |
0 |
0.000 |
32 |
49 |
|
[ADP]D:600 |
14 |
1 |
536 |
◊ |
C |
x,y,z |
1_555 |
16 |
4 |
23520 |
116.2 |
-1.8 |
0.606 |
2 |
0 |
0 |
0.000 |
33 |
50 |
|
N |
11 |
2 |
5663 |
◊ |
g |
x,y,z |
1_555 |
11 |
3 |
18388 |
111.1 |
0.0 |
0.471 |
1 |
0 |
0 |
0.000 |
34 |
51 |
|
M |
15 |
3 |
5716 |
◊ |
g |
x,y,z |
1_555 |
11 |
3 |
18388 |
110.3 |
-0.4 |
0.457 |
1 |
2 |
0 |
0.000 |
35 |
52 |
|
p |
14 |
5 |
14020 |
◊ |
d |
x,y,z |
1_555 |
11 |
3 |
11068 |
106.7 |
-0.1 |
0.676 |
0 |
0 |
0 |
0.000 |
36 |
53 |
|
M |
12 |
3 |
5716 |
◊ |
e |
x,y,z |
1_555 |
15 |
5 |
8054 |
105.2 |
0.9 |
0.585 |
2 |
0 |
0 |
0.000 |
37 |
54 |
|
D |
6 |
2 |
20941 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
21048 |
96.0 |
-2.5 |
0.111 |
0 |
0 |
0 |
0.000 |
38 |
55 |
|
B |
10 |
4 |
21048 |
◊ |
d |
x,y,z |
1_555 |
10 |
3 |
11068 |
94.1 |
1.2 |
0.800 |
2 |
1 |
0 |
0.000 |
39 |
56 |
|
[ATP]E:600 |
10 |
1 |
605 |
◊ |
D |
x,y,z |
1_555 |
13 |
7 |
20941 |
92.8 |
0.2 |
0.643 |
2 |
0 |
0 |
0.000 |
57 |
|
[ATP]B:503 |
9 |
1 |
614 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
21048 |
80.8 |
-0.5 |
0.566 |
2 |
0 |
0 |
0.000 |
Average: |
86.8 |
-0.1 |
0.605 |
2 |
0 |
0 |
0.000 |
40 |
58 |
|
[ATP]A:600 |
9 |
1 |
605 |
◊ |
F |
x,y,z |
1_555 |
16 |
6 |
20924 |
92.3 |
-0.1 |
0.578 |
2 |
0 |
0 |
0.000 |
41 |
59 |
|
R |
8 |
1 |
5703 |
◊ |
g |
x,y,z |
1_555 |
13 |
3 |
18388 |
91.6 |
-0.1 |
0.636 |
1 |
2 |
0 |
0.000 |
42 |
60 |
|
[ADP]B:501 |
9 |
1 |
545 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
23930 |
78.9 |
-2.6 |
0.347 |
0 |
0 |
0 |
0.000 |
43 |
61 |
|
S |
7 |
2 |
5662 |
◊ |
g |
x,y,z |
1_555 |
8 |
2 |
18388 |
74.4 |
1.0 |
0.759 |
0 |
4 |
0 |
0.000 |
44 |
62 |
|
I |
12 |
3 |
5718 |
◊ |
e |
x,y,z |
1_555 |
9 |
5 |
8054 |
73.0 |
0.7 |
0.843 |
0 |
0 |
0 |
0.000 |
45 |
63 |
|
T |
3 |
2 |
5712 |
◊ |
g |
x,y,z |
1_555 |
10 |
3 |
18388 |
56.8 |
1.7 |
0.872 |
3 |
3 |
0 |
0.000 |
46 |
64 |
|
L |
6 |
2 |
5702 |
◊ |
g |
x,y,z |
1_555 |
7 |
2 |
18388 |
55.8 |
1.0 |
0.861 |
1 |
2 |
0 |
0.000 |
47 |
65 |
|
[MG]D:601 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
8 |
5 |
20941 |
50.3 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.000 |
66 |
|
[MG]B:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
21048 |
45.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
47.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
67 |
|
[MG]A:601 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
23930 |
45.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.000 |
68 |
|
[MG]E:601 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
9 |
6 |
23189 |
42.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
69 |
|
[MG]C:601 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
23520 |
41.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
43.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
70 |
|
D |
6 |
3 |
20941 |
◊ |
d |
x,y,z |
1_555 |
8 |
5 |
11068 |
37.7 |
-0.3 |
0.576 |
0 |
0 |
0 |
0.000 |
50 |
71 |
|
[MG]E:601 |
1 |
1 |
98 |
◊ |
[ATP]E:600 |
x,y,z |
1_555 |
4 |
1 |
605 |
37.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
72 |
|
[MG]C:601 |
1 |
1 |
98 |
◊ |
[ATP]B:503 |
x,y,z |
1_555 |
3 |
1 |
614 |
37.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
73 |
|
[MG]A:601 |
1 |
1 |
98 |
◊ |
[ATP]A:600 |
x,y,z |
1_555 |
3 |
1 |
605 |
34.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
36.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
74 |
|
O |
2 |
1 |
5653 |
◊ |
g |
x,y,z |
1_555 |
5 |
2 |
18388 |
37.4 |
0.4 |
0.710 |
1 |
0 |
0 |
0.000 |
52 |
75 |
|
Q |
3 |
1 |
5703 |
◊ |
g |
x,y,z |
1_555 |
4 |
1 |
18388 |
36.3 |
0.1 |
0.608 |
0 |
0 |
0 |
0.000 |
53 |
76 |
|
H |
3 |
1 |
5708 |
◊ |
e |
x,y,z |
1_555 |
3 |
2 |
8054 |
33.4 |
1.1 |
0.921 |
1 |
2 |
0 |
0.000 |
54 |
77 |
|
[ADP]B:501 |
4 |
1 |
545 |
◊ |
[MG]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
78 |
|
[ADP]D:600 |
1 |
1 |
536 |
◊ |
[MG]D:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
28.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.000 |
55 |
79 |
|
K |
4 |
2 |
5655 |
◊ |
g |
x,y,z |
1_555 |
4 |
2 |
18388 |
32.0 |
0.9 |
0.900 |
1 |
1 |
0 |
0.000 |
56 |
80 |
|
G |
3 |
1 |
5715 |
◊ |
e |
x,y,z |
1_555 |
4 |
1 |
8054 |
25.9 |
0.1 |
0.644 |
0 |
0 |
0 |
0.000 |
57 |
81 |
|
N |
1 |
1 |
5663 |
◊ |
a |
x,y,z |
1_555 |
2 |
2 |
13435 |
18.0 |
-0.2 |
0.471 |
0 |
0 |
0 |
0.000 |
58 |
82 |
|
I |
2 |
1 |
5718 |
◊ |
g |
x,y,z |
1_555 |
1 |
1 |
18388 |
14.6 |
0.4 |
0.895 |
0 |
0 |
0 |
0.000 |
59 |
83 |
|
J |
5 |
1 |
5635 |
◊ |
g |
x,y,z |
1_555 |
1 |
1 |
18388 |
7.5 |
0.2 |
0.859 |
0 |
0 |
0 |
0.000 |
60 |
84 |
|
E |
1 |
1 |
23189 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
23930 |
1.5 |
0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
61 |
85 |
|
[MG]B:502 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
23930 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|