## |
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 |
|
F |
106 |
31 |
13810 |
◊ |
C |
x,y,z |
1_555 |
108 |
30 |
14564 |
1011.8 |
-1.9 |
0.581 |
13 |
0 |
0 |
0.000 |
2 |
|
I |
106 |
31 |
13997 |
◊ |
A |
x,y,z |
1_555 |
106 |
30 |
14002 |
1000.4 |
-2.0 |
0.580 |
12 |
0 |
0 |
0.000 |
Average: |
1006.1 |
-1.9 |
0.580 |
13 |
0 |
0 |
0.000 |
2 |
3 |
|
[21G]I:601 |
28 |
1 |
546 |
f |
I |
x,y,z |
1_555 |
60 |
20 |
13997 |
396.1 |
0.4 |
0.390 |
6 |
0 |
0 |
0.019 |
4 |
|
[21G]A:601 |
28 |
1 |
547 |
f |
A |
x,y,z |
1_555 |
60 |
19 |
14002 |
395.0 |
0.4 |
0.385 |
6 |
0 |
0 |
0.019 |
5 |
|
[21G]F:601 |
28 |
1 |
546 |
f |
F |
x,y,z |
1_555 |
59 |
21 |
13810 |
393.3 |
1.6 |
0.466 |
6 |
0 |
0 |
0.019 |
6 |
|
[21G]C:601 |
28 |
1 |
549 |
f |
C |
x,y,z |
1_555 |
59 |
20 |
14564 |
392.4 |
1.8 |
0.465 |
6 |
0 |
0 |
0.019 |
Average: |
394.2 |
1.0 |
0.427 |
6 |
0 |
0 |
0.019 |
3 |
7 |
|
I |
32 |
11 |
13997 |
◊ |
F |
x,y,z |
1_555 |
31 |
11 |
13810 |
332.5 |
-2.6 |
0.330 |
5 |
2 |
0 |
0.000 |
8 |
|
C |
29 |
11 |
14564 |
◊ |
A |
x,y,z |
1_555 |
32 |
11 |
14002 |
312.6 |
-1.5 |
0.448 |
4 |
2 |
0 |
0.000 |
Average: |
322.5 |
-2.1 |
0.389 |
5 |
2 |
0 |
0.000 |
4 |
9 |
|
F |
34 |
9 |
13810 |
◊ |
I |
x,y,z-1 |
1_554 |
35 |
11 |
13997 |
301.6 |
-2.4 |
0.373 |
1 |
0 |
0 |
0.000 |
10 |
|
C |
36 |
11 |
14564 |
◊ |
A |
x-1,y,z-1 |
1_454 |
35 |
9 |
14002 |
296.5 |
-2.4 |
0.364 |
1 |
0 |
0 |
0.000 |
Average: |
299.1 |
-2.4 |
0.369 |
1 |
0 |
0 |
0.000 |
5 |
11 |
|
F |
29 |
13 |
13810 |
◊ |
A |
x,y-1,z |
1_545 |
18 |
5 |
14002 |
242.6 |
-6.5 |
0.012 |
0 |
0 |
0 |
0.000 |
6 |
12 |
|
[21G]C:602 |
24 |
1 |
564 |
f |
C |
x,y,z |
1_555 |
28 |
9 |
14564 |
208.1 |
-1.6 |
0.304 |
3 |
0 |
0 |
0.020 |
7 |
13 |
|
C |
26 |
9 |
14564 |
◊ |
F |
x-1,y,z |
1_455 |
24 |
9 |
13810 |
199.0 |
0.2 |
0.637 |
0 |
0 |
0 |
0.000 |
14 |
|
I |
24 |
9 |
13997 |
◊ |
A |
x-1,y,z |
1_455 |
23 |
9 |
14002 |
197.1 |
0.1 |
0.627 |
0 |
0 |
0 |
0.000 |
Average: |
198.1 |
0.1 |
0.632 |
0 |
0 |
0 |
0.000 |
8 |
15 |
|
F |
23 |
8 |
13810 |
◊ |
C |
x,y-1,z |
1_545 |
20 |
6 |
14564 |
192.8 |
-4.2 |
0.077 |
1 |
0 |
0 |
0.000 |
9 |
16 |
|
[21G]C:602 |
23 |
1 |
564 |
◊ |
F |
x,y,z |
1_555 |
29 |
6 |
13810 |
190.9 |
1.6 |
0.424 |
0 |
0 |
0 |
0.000 |
10 |
17 |
|
[21G]A:602 |
23 |
1 |
524 |
◊ |
I |
x,y,z |
1_555 |
27 |
6 |
13997 |
177.3 |
1.0 |
0.414 |
1 |
0 |
0 |
0.000 |
11 |
18 |
|
[21G]A:602 |
16 |
1 |
524 |
cf |
A |
x,y,z |
1_555 |
22 |
7 |
14002 |
167.8 |
-0.3 |
0.368 |
2 |
0 |
0 |
0.009 |
12 |
19 |
|
F |
15 |
7 |
13810 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
14002 |
124.5 |
1.5 |
0.809 |
6 |
6 |
0 |
0.000 |
20 |
|
I |
13 |
6 |
13997 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
14564 |
123.6 |
1.5 |
0.815 |
6 |
6 |
0 |
0.000 |
Average: |
124.0 |
1.5 |
0.812 |
6 |
6 |
0 |
0.000 |
13 |
21 |
|
I |
7 |
5 |
13997 |
◊ |
F |
x-1,y,z |
1_455 |
7 |
5 |
13810 |
89.8 |
-0.7 |
0.410 |
0 |
0 |
0 |
0.000 |
22 |
|
C |
7 |
5 |
14564 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
5 |
14002 |
88.1 |
-0.7 |
0.392 |
0 |
0 |
0 |
0.000 |
Average: |
89.0 |
-0.7 |
0.401 |
0 |
0 |
0 |
0.000 |
14 |
23 |
|
[NI]I:602 |
1 |
1 |
115 |
f |
I |
x,y,z |
1_555 |
17 |
7 |
13997 |
63.4 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.074 |
24 |
|
[NI]A:603 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
14002 |
61.5 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.074 |
25 |
|
[NI]F:602 |
1 |
1 |
115 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
13810 |
61.4 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.074 |
26 |
|
[NI]C:603 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
14564 |
61.0 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.074 |
Average: |
61.8 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.074 |
15 |
27 |
|
C |
9 |
3 |
14564 |
◊ |
I |
x-1,y,z-1 |
1_454 |
11 |
4 |
13997 |
54.3 |
0.2 |
0.650 |
0 |
0 |
0 |
0.000 |
28 |
|
C |
10 |
4 |
14564 |
◊ |
I |
x,y,z-1 |
1_554 |
7 |
3 |
13997 |
53.6 |
0.2 |
0.653 |
0 |
0 |
0 |
0.000 |
Average: |
53.9 |
0.2 |
0.651 |
0 |
0 |
0 |
0.000 |
16 |
29 |
|
[NI]A:603 |
1 |
1 |
115 |
f |
[21G]A:601 |
x,y,z |
1_555 |
3 |
1 |
547 |
20.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.016 |
30 |
|
[NI]F:602 |
1 |
1 |
115 |
f |
[21G]F:601 |
x,y,z |
1_555 |
3 |
1 |
546 |
18.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.016 |
31 |
|
[NI]C:603 |
1 |
1 |
115 |
f |
[21G]C:601 |
x,y,z |
1_555 |
3 |
1 |
549 |
17.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.016 |
32 |
|
[NI]I:602 |
1 |
1 |
115 |
f |
[21G]I:601 |
x,y,z |
1_555 |
3 |
1 |
546 |
15.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
17.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.016 |
17 |
33 |
|
[21G]C:602 |
3 |
1 |
564 |
◊ |
I |
x,y,z-1 |
1_554 |
4 |
1 |
13997 |
18.2 |
0.0 |
0.436 |
0 |
0 |
0 |
0.000 |
|