## |
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 |
|
J |
663 |
146 |
32371 |
◊ |
I |
x,y,z |
1_555 |
654 |
146 |
32423 |
6451.5 |
-82.4 |
0.987 |
360 |
0 |
0 |
0.884 |
2 |
2 |
|
F |
238 |
55 |
7596 |
◊ |
E |
x,y,z |
1_555 |
259 |
58 |
8766 |
2529.8 |
-42.7 |
0.037 |
23 |
5 |
0 |
0.835 |
3 |
|
B |
225 |
51 |
6574 |
◊ |
A |
x,y,z |
1_555 |
255 |
58 |
8525 |
2445.3 |
-41.8 |
0.053 |
23 |
4 |
0 |
0.835 |
Average: |
2487.5 |
-42.3 |
0.045 |
23 |
5 |
0 |
0.835 |
3 |
4 |
|
H |
251 |
61 |
7633 |
◊ |
G |
x,y,z |
1_555 |
243 |
61 |
8633 |
2454.9 |
-46.1 |
0.027 |
19 |
8 |
0 |
0.830 |
5 |
|
D |
253 |
60 |
7852 |
◊ |
C |
x,y,z |
1_555 |
246 |
63 |
9072 |
2442.2 |
-45.9 |
0.025 |
19 |
7 |
0 |
0.830 |
Average: |
2448.6 |
-46.0 |
0.026 |
19 |
8 |
0 |
0.830 |
4 |
6 |
|
I |
97 |
19 |
32423 |
◊ |
E |
x,y,z |
1_555 |
82 |
22 |
8766 |
756.3 |
-6.9 |
0.812 |
12 |
0 |
0 |
0.156 |
5 |
7 |
|
J |
100 |
19 |
32371 |
◊ |
A |
x,y,z |
1_555 |
78 |
23 |
8525 |
755.5 |
-6.6 |
0.818 |
12 |
0 |
0 |
0.186 |
6 |
8 |
|
J |
94 |
17 |
32371 |
◊ |
E |
x,y,z |
1_555 |
76 |
23 |
8766 |
730.2 |
-14.6 |
0.557 |
14 |
0 |
0 |
0.424 |
7 |
9 |
|
G |
63 |
18 |
8633 |
◊ |
A |
x,y,z |
1_555 |
60 |
21 |
8525 |
678.5 |
-7.8 |
0.334 |
7 |
0 |
0 |
0.392 |
10 |
|
C |
64 |
17 |
9072 |
◊ |
E |
x,y,z |
1_555 |
62 |
21 |
8766 |
667.9 |
-8.4 |
0.308 |
7 |
0 |
0 |
0.392 |
Average: |
673.2 |
-8.1 |
0.321 |
7 |
0 |
0 |
0.392 |
8 |
11 |
|
I |
79 |
14 |
32423 |
◊ |
A |
x,y,z |
1_555 |
70 |
22 |
8525 |
661.8 |
-16.1 |
0.427 |
13 |
0 |
0 |
0.519 |
9 |
12 |
|
E |
58 |
15 |
8766 |
◊ |
A |
x,y,z |
1_555 |
56 |
15 |
8525 |
616.1 |
-9.8 |
0.261 |
3 |
6 |
0 |
0.360 |
10 |
13 |
|
J |
73 |
15 |
32371 |
◊ |
C |
x,y,z |
1_555 |
54 |
18 |
9072 |
586.1 |
-7.1 |
0.679 |
16 |
0 |
0 |
0.365 |
11 |
14 |
|
D |
66 |
17 |
7852 |
◊ |
B |
x,y,z |
1_555 |
51 |
11 |
6574 |
548.1 |
0.3 |
0.825 |
6 |
2 |
0 |
0.022 |
15 |
|
H |
50 |
13 |
7633 |
◊ |
F |
x,y,z |
1_555 |
45 |
10 |
7596 |
485.2 |
0.4 |
0.788 |
5 |
3 |
0 |
0.022 |
Average: |
516.6 |
0.4 |
0.807 |
6 |
3 |
0 |
0.022 |
12 |
16 |
|
I |
71 |
13 |
32423 |
◊ |
C |
x,y,z |
1_555 |
60 |
17 |
9072 |
532.5 |
-3.8 |
0.782 |
13 |
0 |
0 |
0.231 |
13 |
17 |
|
I |
59 |
12 |
32423 |
◊ |
G |
x,y,z |
1_555 |
51 |
18 |
8633 |
486.5 |
-7.1 |
0.630 |
8 |
0 |
0 |
0.147 |
14 |
18 |
|
J |
59 |
14 |
32371 |
◊ |
G |
x,y,z |
1_555 |
45 |
13 |
8633 |
422.3 |
-5.2 |
0.694 |
10 |
0 |
0 |
0.197 |
15 |
19 |
|
J |
57 |
13 |
32371 |
◊ |
F |
x,y,z |
1_555 |
50 |
15 |
7596 |
404.2 |
-5.6 |
0.641 |
5 |
0 |
0 |
0.091 |
16 |
20 |
|
I |
43 |
11 |
32423 |
◊ |
D |
x,y,z |
1_555 |
43 |
15 |
7852 |
379.2 |
-9.5 |
0.413 |
12 |
0 |
0 |
0.579 |
17 |
21 |
|
G |
43 |
15 |
8633 |
◊ |
B |
x,y,z |
1_555 |
46 |
11 |
6574 |
374.0 |
-4.4 |
0.368 |
5 |
0 |
0 |
0.165 |
22 |
|
C |
42 |
15 |
9072 |
◊ |
F |
x,y,z |
1_555 |
46 |
12 |
7596 |
371.6 |
-4.7 |
0.330 |
5 |
0 |
0 |
0.165 |
Average: |
372.8 |
-4.5 |
0.349 |
5 |
0 |
0 |
0.165 |
18 |
23 |
|
I |
49 |
11 |
32423 |
◊ |
F |
x,y,z |
1_555 |
42 |
15 |
7596 |
368.4 |
-6.2 |
0.578 |
5 |
0 |
0 |
0.203 |
19 |
24 |
|
J |
38 |
8 |
32371 |
◊ |
B |
x,y,z |
1_555 |
39 |
14 |
6574 |
349.2 |
-7.1 |
0.455 |
7 |
0 |
0 |
0.210 |
20 |
25 |
|
J |
44 |
10 |
32371 |
◊ |
H |
x,y,z |
1_555 |
36 |
12 |
7633 |
340.3 |
-7.0 |
0.543 |
8 |
0 |
0 |
0.086 |
21 |
26 |
|
J |
38 |
5 |
32371 |
◊ |
D |
x,y,z |
1_555 |
34 |
10 |
7852 |
287.7 |
-4.9 |
0.606 |
3 |
0 |
0 |
0.028 |
22 |
27 |
|
D |
31 |
9 |
7852 |
◊ |
F |
-x+1,y-1/2,-z+3/2 |
3_646 |
29 |
9 |
7596 |
283.8 |
-0.1 |
0.689 |
3 |
3 |
0 |
0.000 |
23 |
28 |
|
I |
36 |
5 |
32423 |
◊ |
H |
x,y,z |
1_555 |
32 |
10 |
7633 |
270.2 |
-3.8 |
0.664 |
4 |
0 |
0 |
0.027 |
24 |
29 |
|
I |
37 |
10 |
32423 |
◊ |
B |
x,y,z |
1_555 |
24 |
9 |
6574 |
243.8 |
-2.7 |
0.686 |
4 |
0 |
0 |
0.045 |
25 |
30 |
|
H |
29 |
11 |
7633 |
◊ |
B |
x,y,z |
1_555 |
26 |
7 |
6574 |
205.6 |
-1.2 |
0.633 |
3 |
1 |
0 |
0.027 |
31 |
|
D |
28 |
10 |
7852 |
◊ |
F |
x,y,z |
1_555 |
23 |
7 |
7596 |
196.1 |
-2.4 |
0.464 |
2 |
0 |
0 |
0.027 |
Average: |
200.8 |
-1.8 |
0.549 |
3 |
1 |
0 |
0.027 |
26 |
32 |
|
J |
26 |
5 |
32371 |
◊ |
I |
x-1,y,z |
1_455 |
22 |
4 |
32423 |
179.9 |
-5.5 |
0.450 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
C |
23 |
6 |
9072 |
◊ |
F |
-x+1,y-1/2,-z+3/2 |
3_646 |
15 |
4 |
7596 |
177.6 |
-1.1 |
0.536 |
2 |
2 |
0 |
0.000 |
28 |
34 |
|
D |
16 |
6 |
7852 |
◊ |
J |
-x+1,y-1/2,-z+3/2 |
3_646 |
18 |
5 |
32371 |
156.2 |
-2.7 |
0.542 |
2 |
0 |
0 |
0.000 |
29 |
35 |
|
J |
15 |
3 |
32371 |
x |
J |
x-1/2,-y+3/2,-z+1 |
4_466 |
21 |
3 |
32371 |
137.6 |
-4.3 |
0.450 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
I |
17 |
4 |
32423 |
◊ |
J |
x-1,y,z |
1_455 |
22 |
4 |
32371 |
129.6 |
-4.2 |
0.416 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
J |
18 |
5 |
32371 |
◊ |
I |
x-1/2,-y+3/2,-z+1 |
4_466 |
20 |
5 |
32423 |
128.8 |
-4.5 |
0.479 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
I |
17 |
3 |
32423 |
◊ |
J |
x-1/2,-y+3/2,-z+2 |
4_467 |
17 |
3 |
32371 |
118.1 |
0.1 |
0.739 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
G |
16 |
4 |
8633 |
◊ |
C |
x,y,z |
1_555 |
17 |
4 |
9072 |
116.3 |
-0.1 |
0.675 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
C |
14 |
4 |
9072 |
◊ |
E |
-x+1,y-1/2,-z+3/2 |
3_646 |
14 |
5 |
8766 |
113.3 |
0.7 |
0.725 |
2 |
0 |
0 |
0.000 |
35 |
41 |
|
I |
17 |
5 |
32423 |
x |
I |
x-1,y,z |
1_455 |
16 |
4 |
32423 |
112.4 |
0.6 |
0.773 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
G |
11 |
4 |
8633 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
8766 |
95.8 |
1.9 |
0.861 |
1 |
0 |
0 |
0.000 |
43 |
|
C |
1 |
1 |
9072 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8525 |
1.6 |
0.1 |
0.764 |
0 |
0 |
0 |
0.000 |
Average: |
48.7 |
1.0 |
0.812 |
1 |
0 |
0 |
0.000 |
37 |
44 |
|
A |
8 |
3 |
8525 |
◊ |
I |
-x+2,y-1/2,-z+3/2 |
3_746 |
12 |
3 |
32423 |
86.4 |
-2.8 |
0.445 |
3 |
0 |
0 |
0.000 |
38 |
45 |
|
J |
10 |
1 |
32371 |
x |
J |
x-1/2,-y+3/2,-z+2 |
4_467 |
13 |
1 |
32371 |
82.7 |
1.0 |
0.737 |
0 |
0 |
0 |
0.000 |
39 |
46 |
|
I |
11 |
3 |
32423 |
◊ |
H |
-x+1,y-1/2,-z+3/2 |
3_646 |
12 |
5 |
7633 |
77.5 |
-1.5 |
0.555 |
3 |
0 |
0 |
0.000 |
40 |
47 |
|
D |
7 |
2 |
7852 |
◊ |
I |
-x+1,y-1/2,-z+3/2 |
3_646 |
9 |
2 |
32423 |
72.8 |
-2.7 |
0.330 |
0 |
0 |
0 |
0.000 |
41 |
48 |
|
I |
9 |
3 |
32423 |
x |
I |
-x+3/2,-y+1,z-1/2 |
2_664 |
10 |
2 |
32423 |
69.2 |
-0.7 |
0.540 |
0 |
0 |
0 |
0.000 |
42 |
49 |
|
D |
6 |
2 |
7852 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
8633 |
63.7 |
-0.0 |
0.678 |
0 |
0 |
0 |
0.001 |
50 |
|
H |
6 |
2 |
7633 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
9072 |
51.5 |
-0.2 |
0.645 |
0 |
0 |
0 |
0.001 |
Average: |
57.6 |
-0.1 |
0.661 |
0 |
0 |
0 |
0.001 |
43 |
51 |
|
I |
9 |
3 |
32423 |
◊ |
J |
x-1/2,-y+3/2,-z+1 |
4_466 |
12 |
4 |
32371 |
62.3 |
-3.3 |
0.409 |
0 |
0 |
0 |
0.000 |
44 |
52 |
|
[CL]A:201 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
8525 |
61.8 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.564 |
53 |
|
[CL]E:202 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
10 |
3 |
8766 |
60.7 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.564 |
Average: |
61.2 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.564 |
45 |
54 |
|
[MN]J:302 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
7 |
3 |
32371 |
57.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.128 |
46 |
55 |
|
D |
6 |
4 |
7852 |
◊ |
E |
-x+1,y-1/2,-z+3/2 |
3_646 |
9 |
4 |
8766 |
53.6 |
0.1 |
0.698 |
0 |
0 |
0 |
0.000 |
47 |
56 |
|
[MN]J:301 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
9 |
3 |
32371 |
52.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.101 |
48 |
57 |
|
[MN]J:303 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
9 |
3 |
32371 |
51.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.089 |
49 |
58 |
|
[MN]I:203 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
8 |
3 |
32423 |
51.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.149 |
50 |
59 |
|
[MN]J:304 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
7 |
3 |
32371 |
50.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.101 |
51 |
60 |
|
[MN]I:202 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
8 |
3 |
32423 |
50.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.132 |
52 |
61 |
|
[MN]I:201 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
32423 |
49.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.140 |
53 |
62 |
|
I |
7 |
2 |
32423 |
x |
I |
x-1/2,-y+3/2,-z+1 |
4_466 |
8 |
2 |
32423 |
48.1 |
-2.6 |
0.395 |
0 |
0 |
0 |
0.000 |
54 |
63 |
|
[MN]E:201 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
8766 |
47.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.087 |
55 |
64 |
|
[CL]C:201 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
9072 |
44.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.203 |
65 |
|
[CL]G:201 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
8 |
4 |
8633 |
44.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.203 |
Average: |
44.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.203 |
56 |
66 |
|
[CL]C:201 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
7852 |
43.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.081 |
67 |
|
[CL]G:201 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
7633 |
42.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.081 |
Average: |
43.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.081 |
57 |
68 |
|
D |
8 |
4 |
7852 |
◊ |
[MN]E:201 |
-x+1,y-1/2,-z+3/2 |
3_646 |
1 |
1 |
123 |
35.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
69 |
|
J |
4 |
3 |
32371 |
◊ |
H |
-x+1,y-1/2,-z+3/2 |
3_646 |
4 |
2 |
7633 |
33.1 |
-1.8 |
0.315 |
0 |
0 |
0 |
0.000 |
59 |
70 |
|
J |
7 |
2 |
32371 |
◊ |
I |
x-1/2,-y+3/2,-z+2 |
4_467 |
4 |
2 |
32423 |
30.7 |
-1.3 |
0.454 |
0 |
0 |
0 |
0.000 |
60 |
71 |
|
[MN]I:203 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
5 |
3 |
32371 |
24.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.008 |
61 |
72 |
|
J |
2 |
1 |
32371 |
◊ |
G |
x-1/2,-y+3/2,-z+2 |
4_467 |
2 |
1 |
8633 |
24.5 |
-0.3 |
0.509 |
1 |
0 |
0 |
0.000 |
62 |
73 |
|
[MN]J:302 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
32423 |
21.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.003 |
63 |
74 |
|
J |
6 |
2 |
32371 |
x |
J |
-x+2,y-1/2,-z+3/2 |
3_746 |
4 |
2 |
32371 |
17.9 |
-0.5 |
0.519 |
0 |
0 |
0 |
0.000 |
64 |
75 |
|
[CL]G:201 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32423 |
16.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.035 |
65 |
76 |
|
C |
3 |
1 |
9072 |
◊ |
[MN]E:201 |
-x+1,y-1/2,-z+3/2 |
3_646 |
1 |
1 |
123 |
16.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
66 |
77 |
|
E |
2 |
1 |
8766 |
◊ |
J |
x-1/2,-y+3/2,-z+2 |
4_467 |
1 |
1 |
32371 |
16.5 |
-1.2 |
0.245 |
0 |
0 |
0 |
0.000 |
67 |
78 |
|
[CL]C:201 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
32371 |
16.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.063 |
68 |
79 |
|
[MN]J:304 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
32423 |
14.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
69 |
80 |
|
[MN]E:201 |
1 |
1 |
123 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
7596 |
12.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
70 |
81 |
|
[MN]I:202 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
32371 |
12.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.001 |
71 |
82 |
|
[MN]J:302 |
1 |
1 |
123 |
◊ |
J |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
32371 |
7.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
72 |
83 |
|
[MN]J:301 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32423 |
7.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
73 |
84 |
|
[CL]A:201 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6574 |
6.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.013 |
85 |
|
[CL]E:202 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
7596 |
6.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
6.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.013 |
74 |
86 |
|
[MN]I:201 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32371 |
5.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
75 |
87 |
|
[MN]J:303 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32423 |
5.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
76 |
88 |
|
C |
1 |
1 |
9072 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6574 |
2.5 |
0.1 |
0.775 |
0 |
0 |
0 |
0.000 |
77 |
89 |
|
[MN]J:303 |
1 |
1 |
123 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
8766 |
0.7 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
78 |
90 |
|
J |
1 |
1 |
32371 |
x |
J |
x-1,y,z |
1_455 |
1 |
1 |
32371 |
0.1 |
-0.0 |
0.338 |
0 |
0 |
0 |
0.000 |
|