## |
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 |
|
B |
198 |
48 |
16793 |
◊ |
A |
x,y,z |
1_555 |
201 |
57 |
16255 |
1975.5 |
-12.3 |
0.224 |
25 |
20 |
0 |
1.000 |
2 |
|
D |
190 |
48 |
17126 |
◊ |
C |
x,y,z |
1_555 |
206 |
55 |
16704 |
1963.1 |
-14.7 |
0.212 |
27 |
16 |
0 |
1.000 |
3 |
|
H |
191 |
44 |
16619 |
◊ |
G |
x,y,z |
1_555 |
215 |
56 |
17907 |
1914.4 |
-13.5 |
0.281 |
18 |
14 |
0 |
1.000 |
4 |
|
F |
182 |
44 |
16567 |
◊ |
E |
x,y,z |
1_555 |
209 |
56 |
17898 |
1866.2 |
-14.7 |
0.228 |
20 |
11 |
0 |
1.000 |
Average: |
1929.8 |
-13.8 |
0.236 |
23 |
15 |
0 |
1.000 |
2 |
5 |
|
F |
101 |
34 |
16567 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
103 |
38 |
17126 |
972.9 |
-5.0 |
0.447 |
8 |
0 |
0 |
0.000 |
6 |
|
H |
100 |
30 |
16619 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
108 |
34 |
16793 |
950.4 |
-5.0 |
0.459 |
7 |
1 |
0 |
0.000 |
Average: |
961.7 |
-5.0 |
0.453 |
8 |
1 |
0 |
0.000 |
3 |
7 |
|
H |
102 |
31 |
16619 |
◊ |
F |
x,y,z |
1_555 |
105 |
33 |
16567 |
912.1 |
-3.5 |
0.578 |
13 |
17 |
0 |
0.000 |
4 |
8 |
|
D |
67 |
16 |
17126 |
◊ |
B |
x,y,z |
1_555 |
66 |
17 |
16793 |
622.4 |
-4.6 |
0.353 |
5 |
3 |
0 |
0.000 |
5 |
9 |
|
F |
47 |
12 |
16567 |
◊ |
B |
x,y,z |
1_555 |
51 |
12 |
16793 |
463.2 |
-6.3 |
0.147 |
3 |
0 |
0 |
0.000 |
6 |
10 |
|
[ATP]G:403 |
31 |
1 |
601 |
f |
G |
x,y,z |
1_555 |
65 |
25 |
17907 |
423.6 |
-3.3 |
0.509 |
5 |
0 |
0 |
0.113 |
7 |
11 |
|
[ATP]E:403 |
31 |
1 |
596 |
f |
E |
x,y,z |
1_555 |
65 |
26 |
17898 |
417.3 |
-2.9 |
0.563 |
8 |
0 |
0 |
0.123 |
8 |
12 |
|
G |
40 |
12 |
17907 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
41 |
11 |
16255 |
372.3 |
-2.9 |
0.409 |
3 |
0 |
0 |
0.000 |
13 |
|
E |
33 |
9 |
17898 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
34 |
10 |
16704 |
290.0 |
-3.2 |
0.351 |
1 |
0 |
0 |
0.000 |
Average: |
331.1 |
-3.0 |
0.380 |
2 |
0 |
0 |
0.000 |
9 |
14 |
|
H |
30 |
10 |
16619 |
◊ |
B |
x,y,z |
1_555 |
31 |
9 |
16793 |
299.0 |
-2.4 |
0.390 |
2 |
2 |
0 |
0.000 |
10 |
15 |
|
A |
17 |
5 |
16255 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
18 |
6 |
17126 |
170.6 |
-1.0 |
0.489 |
1 |
0 |
0 |
0.000 |
11 |
16 |
|
G |
19 |
6 |
17907 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
20 |
8 |
16704 |
156.8 |
1.4 |
0.814 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
B |
17 |
8 |
16793 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
16704 |
156.2 |
2.1 |
0.801 |
1 |
0 |
0 |
0.000 |
18 |
|
D |
18 |
11 |
17126 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
16255 |
148.7 |
3.2 |
0.872 |
2 |
0 |
0 |
0.000 |
Average: |
152.4 |
2.6 |
0.836 |
2 |
0 |
0 |
0.000 |
13 |
19 |
|
H |
12 |
5 |
16619 |
◊ |
A |
x,y,z |
1_555 |
18 |
4 |
16255 |
122.2 |
-0.9 |
0.381 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
[ATP]E:403 |
6 |
1 |
596 |
◊ |
F |
x,y,z |
1_555 |
6 |
4 |
16567 |
60.1 |
0.5 |
0.658 |
2 |
0 |
0 |
0.007 |
15 |
21 |
|
H |
7 |
3 |
16619 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
4 |
17898 |
55.9 |
-0.9 |
0.374 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
[MG]E:402 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
10 |
6 |
17898 |
38.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.089 |
23 |
|
[MG]G:402 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
11 |
7 |
17907 |
35.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.089 |
Average: |
37.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.089 |
17 |
24 |
|
[ATP]G:403 |
7 |
1 |
601 |
f |
[MG]G:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.096 |
25 |
|
[ATP]E:403 |
6 |
1 |
596 |
f |
[MG]E:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.096 |
Average: |
34.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.096 |
18 |
26 |
|
[MG]G:401 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
12 |
6 |
17907 |
32.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.089 |
27 |
|
[MG]E:401 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
17898 |
31.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.089 |
Average: |
32.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.089 |
19 |
28 |
|
[ATP]G:403 |
5 |
1 |
601 |
f |
[MG]G:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.085 |
29 |
|
[ATP]E:403 |
4 |
1 |
596 |
f |
[MG]E:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
30.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.085 |
20 |
30 |
|
[ATP]G:403 |
5 |
1 |
601 |
◊ |
H |
x,y,z |
1_555 |
5 |
4 |
16619 |
25.0 |
0.1 |
0.538 |
0 |
0 |
0 |
0.000 |
21 |
31 |
|
[MG]G:402 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
16619 |
12.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.028 |
32 |
|
[MG]E:402 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
16567 |
12.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
12.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.028 |
22 |
33 |
|
A |
3 |
2 |
16255 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
2 |
16704 |
7.6 |
0.3 |
0.758 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
[MG]G:402 |
1 |
1 |
98 |
f |
[MG]G:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.024 |
24 |
35 |
|
[MG]E:402 |
1 |
1 |
98 |
f |
[MG]E:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.022 |
25 |
36 |
|
[MG]E:401 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
16567 |
4.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.010 |
|