## |
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 |
291 |
74 |
21369 |
◊ |
A |
x,y,z |
1_555 |
304 |
83 |
29609 |
2816.3 |
-25.1 |
0.169 |
29 |
4 |
0 |
0.745 |
2 |
|
D |
287 |
75 |
21424 |
◊ |
C |
x,y,z |
1_555 |
301 |
82 |
29686 |
2752.4 |
-25.5 |
0.157 |
28 |
6 |
0 |
0.745 |
Average: |
2784.3 |
-25.3 |
0.163 |
29 |
5 |
0 |
0.745 |
2 |
3 |
|
E |
147 |
19 |
5655 |
◊ |
C |
x,y,z |
1_555 |
161 |
56 |
29686 |
1296.7 |
-8.2 |
0.651 |
12 |
0 |
0 |
0.176 |
3 |
4 |
|
T |
140 |
17 |
5515 |
◊ |
A |
x,y,z |
1_555 |
163 |
55 |
29609 |
1207.1 |
-6.0 |
0.685 |
6 |
0 |
0 |
0.123 |
4 |
5 |
|
E |
85 |
20 |
5655 |
◊ |
F |
x,y,z |
1_555 |
90 |
18 |
4390 |
880.4 |
-11.6 |
0.623 |
55 |
0 |
0 |
1.000 |
5 |
6 |
|
P |
90 |
18 |
4381 |
◊ |
T |
x,y,z |
1_555 |
85 |
20 |
5515 |
873.4 |
-11.5 |
0.643 |
56 |
0 |
0 |
1.000 |
6 |
7 |
|
P |
89 |
14 |
4381 |
◊ |
A |
x,y,z |
1_555 |
90 |
27 |
29609 |
801.4 |
-8.7 |
0.598 |
11 |
0 |
0 |
0.193 |
8 |
|
F |
83 |
13 |
4390 |
◊ |
C |
x,y,z |
1_555 |
90 |
27 |
29686 |
772.1 |
-8.8 |
0.607 |
12 |
0 |
0 |
0.193 |
Average: |
786.8 |
-8.7 |
0.603 |
12 |
0 |
0 |
0.193 |
7 |
9 |
|
D |
63 |
15 |
21424 |
◊ |
B |
-x+1,y-1/2,-z+3 |
2_648 |
65 |
18 |
21369 |
549.7 |
0.9 |
0.768 |
5 |
8 |
0 |
0.000 |
8 |
10 |
|
C |
46 |
11 |
29686 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
62 |
17 |
29609 |
535.0 |
-8.6 |
0.097 |
3 |
0 |
0 |
0.000 |
9 |
11 |
|
B |
48 |
16 |
21369 |
◊ |
A |
-x+1,y-1/2,-z+3 |
2_648 |
44 |
15 |
29609 |
442.0 |
1.6 |
0.820 |
5 |
5 |
0 |
0.000 |
10 |
12 |
|
C |
44 |
10 |
29686 |
◊ |
A |
-x,y-1/2,-z+3 |
2_548 |
46 |
10 |
29609 |
432.2 |
-3.9 |
0.377 |
5 |
0 |
0 |
0.000 |
11 |
13 |
|
D |
34 |
11 |
21424 |
◊ |
A |
-x+1,y-1/2,-z+3 |
2_648 |
34 |
16 |
29609 |
291.7 |
1.0 |
0.768 |
2 |
1 |
0 |
0.000 |
12 |
14 |
|
[REK]A:603 |
25 |
1 |
541 |
f |
A |
x,y,z |
1_555 |
49 |
16 |
29609 |
283.9 |
-1.8 |
0.682 |
2 |
0 |
0 |
0.087 |
15 |
|
[REK]C:603 |
25 |
1 |
534 |
f |
C |
x,y,z |
1_555 |
52 |
16 |
29686 |
274.9 |
-2.5 |
0.661 |
5 |
0 |
0 |
0.087 |
Average: |
279.4 |
-2.1 |
0.671 |
4 |
0 |
0 |
0.087 |
13 |
16 |
|
B |
31 |
10 |
21369 |
◊ |
C |
x,y,z |
1_555 |
30 |
14 |
29686 |
270.7 |
-3.1 |
0.326 |
2 |
0 |
0 |
0.000 |
14 |
17 |
|
[MRG]F:817 |
21 |
1 |
473 |
cf |
F |
x,y,z |
1_555 |
29 |
2 |
4390 |
241.3 |
5.2 |
0.735 |
0 |
0 |
0 |
0.000 |
18 |
|
[MRG]P:817 |
21 |
1 |
477 |
cf |
P |
x,y,z |
1_555 |
29 |
2 |
4381 |
239.8 |
5.1 |
0.733 |
0 |
0 |
0 |
0.000 |
Average: |
240.5 |
5.2 |
0.734 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
D |
26 |
10 |
21424 |
◊ |
A |
x,y-1,z |
1_545 |
21 |
7 |
29609 |
215.5 |
-1.2 |
0.409 |
2 |
2 |
0 |
0.000 |
16 |
20 |
|
[DDG]F:822 |
14 |
1 |
459 |
◊ |
C |
x,y,z |
1_555 |
27 |
12 |
29686 |
145.1 |
1.9 |
0.518 |
0 |
0 |
0 |
0.000 |
21 |
|
[DDG]P:822 |
14 |
1 |
459 |
◊ |
A |
x,y,z |
1_555 |
27 |
11 |
29609 |
139.5 |
1.9 |
0.473 |
0 |
0 |
0 |
0.000 |
Average: |
142.3 |
1.9 |
0.496 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
F |
16 |
3 |
4390 |
◊ |
D |
x,y,z |
1_555 |
13 |
4 |
21424 |
124.7 |
-1.7 |
0.559 |
1 |
0 |
0 |
0.030 |
23 |
|
P |
13 |
3 |
4381 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
21369 |
92.1 |
-3.0 |
0.419 |
1 |
0 |
0 |
0.030 |
Average: |
108.4 |
-2.4 |
0.489 |
1 |
0 |
0 |
0.030 |
18 |
24 |
|
[DDG]P:822 |
17 |
1 |
459 |
cf |
P |
x,y,z |
1_555 |
14 |
1 |
4381 |
106.8 |
1.7 |
0.451 |
1 |
0 |
0 |
0.000 |
25 |
|
[DDG]F:822 |
17 |
1 |
459 |
cf |
F |
x,y,z |
1_555 |
14 |
1 |
4390 |
105.1 |
1.5 |
0.447 |
1 |
0 |
0 |
0.000 |
Average: |
106.0 |
1.6 |
0.449 |
1 |
0 |
0 |
0.000 |
19 |
26 |
|
[DDG]F:822 |
13 |
1 |
459 |
◊ |
[REK]C:603 |
x,y,z |
1_555 |
19 |
1 |
534 |
95.8 |
1.2 |
0.602 |
0 |
0 |
0 |
0.000 |
27 |
|
[DDG]P:822 |
12 |
1 |
459 |
◊ |
[REK]A:603 |
x,y,z |
1_555 |
18 |
1 |
541 |
91.1 |
1.1 |
0.571 |
0 |
0 |
0 |
0.000 |
Average: |
93.4 |
1.2 |
0.586 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
E |
11 |
4 |
5655 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
21424 |
94.5 |
-0.9 |
0.522 |
2 |
0 |
0 |
0.015 |
21 |
29 |
|
[MRG]F:817 |
7 |
1 |
473 |
◊ |
E |
x,y,z |
1_555 |
11 |
3 |
5655 |
83.3 |
-0.4 |
0.464 |
4 |
0 |
0 |
0.066 |
22 |
30 |
|
[MRG]P:817 |
7 |
1 |
477 |
◊ |
T |
x,y,z |
1_555 |
11 |
3 |
5515 |
83.0 |
-0.1 |
0.484 |
5 |
0 |
0 |
0.072 |
23 |
31 |
|
[DDG]P:822 |
9 |
1 |
459 |
◊ |
T |
x,y,z |
1_555 |
12 |
2 |
5515 |
82.6 |
1.1 |
0.504 |
3 |
0 |
0 |
0.008 |
24 |
32 |
|
[MRG]F:817 |
9 |
1 |
473 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
29686 |
80.7 |
0.0 |
0.160 |
0 |
0 |
0 |
0.001 |
33 |
|
[MRG]P:817 |
7 |
1 |
477 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
29609 |
77.3 |
-0.1 |
0.180 |
0 |
0 |
0 |
0.001 |
Average: |
79.0 |
-0.0 |
0.170 |
0 |
0 |
0 |
0.001 |
25 |
34 |
|
[DDG]F:822 |
9 |
1 |
459 |
◊ |
E |
x,y,z |
1_555 |
11 |
2 |
5655 |
78.8 |
1.2 |
0.528 |
3 |
0 |
0 |
0.004 |
26 |
35 |
|
[REK]C:603 |
7 |
1 |
534 |
◊ |
E |
x,y,z |
1_555 |
11 |
2 |
5655 |
75.0 |
-2.9 |
0.328 |
2 |
0 |
0 |
0.049 |
27 |
36 |
|
[REK]A:603 |
7 |
1 |
541 |
◊ |
T |
x,y,z |
1_555 |
11 |
2 |
5515 |
71.5 |
-2.9 |
0.324 |
2 |
0 |
0 |
0.054 |
28 |
37 |
|
[MN]A:602 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
29609 |
66.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.101 |
38 |
|
[MN]C:602 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
29686 |
65.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.101 |
Average: |
65.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.101 |
29 |
39 |
|
F |
8 |
2 |
4390 |
◊ |
T |
x,y-1,z |
1_545 |
6 |
1 |
5515 |
54.4 |
-2.3 |
0.359 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
T |
7 |
4 |
5515 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
21369 |
52.5 |
-1.3 |
0.425 |
1 |
0 |
0 |
0.015 |
31 |
41 |
|
[MN]A:601 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
29609 |
51.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.081 |
42 |
|
[MN]C:601 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
29686 |
49.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.081 |
Average: |
50.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.081 |
32 |
43 |
|
[REK]A:603 |
3 |
1 |
541 |
cf |
[MN]A:601 |
x,y,z |
1_555 |
1 |
1 |
123 |
34.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.022 |
44 |
|
[REK]C:603 |
4 |
1 |
534 |
f |
[MN]C:601 |
x,y,z |
1_555 |
1 |
1 |
123 |
31.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
32.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.022 |
33 |
45 |
|
[MN]A:602 |
1 |
1 |
123 |
◊ |
T |
x,y,z |
1_555 |
1 |
1 |
5515 |
13.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.020 |
34 |
46 |
|
[MN]C:602 |
1 |
1 |
123 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
5655 |
11.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.016 |
35 |
47 |
|
[DDG]P:822 |
1 |
1 |
459 |
◊ |
[MN]A:601 |
x,y,z |
1_555 |
1 |
1 |
123 |
6.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
48 |
|
[DDG]F:822 |
1 |
1 |
459 |
◊ |
[MN]C:601 |
x,y,z |
1_555 |
1 |
1 |
123 |
6.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
Average: |
6.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
36 |
49 |
|
C |
1 |
1 |
29686 |
◊ |
A |
-x+1,y-1/2,-z+3 |
2_648 |
1 |
1 |
29609 |
2.8 |
-0.0 |
0.548 |
0 |
0 |
0 |
0.000 |
|