## |
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 |
656 |
145 |
31890 |
◊ |
I |
x,y,z |
1_555 |
661 |
145 |
31926 |
6403.5 |
-81.2 |
0.997 |
351 |
0 |
0 |
0.908 |
2 |
2 |
|
F |
236 |
56 |
7237 |
◊ |
E |
x,y,z |
1_555 |
258 |
59 |
8631 |
2522.4 |
-43.0 |
0.039 |
26 |
7 |
0 |
0.835 |
3 |
|
B |
226 |
51 |
6351 |
◊ |
A |
x,y,z |
1_555 |
251 |
57 |
8552 |
2452.4 |
-40.2 |
0.065 |
21 |
4 |
0 |
0.835 |
Average: |
2487.4 |
-41.6 |
0.052 |
24 |
6 |
0 |
0.835 |
3 |
4 |
|
D |
248 |
60 |
7607 |
◊ |
C |
x,y,z |
1_555 |
238 |
59 |
8878 |
2485.9 |
-41.7 |
0.087 |
25 |
10 |
0 |
0.827 |
5 |
|
H |
246 |
59 |
7539 |
◊ |
G |
x,y,z |
1_555 |
243 |
60 |
8510 |
2451.0 |
-43.5 |
0.047 |
22 |
7 |
0 |
0.827 |
Average: |
2468.5 |
-42.6 |
0.067 |
24 |
9 |
0 |
0.827 |
4 |
6 |
|
I |
100 |
21 |
31926 |
◊ |
E |
x,y,z |
1_555 |
84 |
24 |
8631 |
755.2 |
-7.8 |
0.813 |
14 |
0 |
0 |
0.286 |
5 |
7 |
|
J |
103 |
23 |
31890 |
◊ |
A |
x,y,z |
1_555 |
82 |
24 |
8552 |
751.8 |
-11.4 |
0.755 |
12 |
0 |
0 |
0.245 |
6 |
8 |
|
I |
89 |
17 |
31926 |
◊ |
A |
x,y,z |
1_555 |
81 |
24 |
8552 |
694.7 |
-12.6 |
0.651 |
16 |
0 |
0 |
0.496 |
7 |
9 |
|
G |
57 |
16 |
8510 |
◊ |
A |
x,y,z |
1_555 |
68 |
21 |
8552 |
670.6 |
-7.9 |
0.308 |
7 |
0 |
0 |
0.172 |
10 |
|
C |
61 |
16 |
8878 |
◊ |
E |
x,y,z |
1_555 |
63 |
22 |
8631 |
668.5 |
-7.5 |
0.367 |
7 |
0 |
0 |
0.172 |
Average: |
669.5 |
-7.7 |
0.337 |
7 |
0 |
0 |
0.172 |
8 |
11 |
|
J |
89 |
18 |
31890 |
◊ |
E |
x,y,z |
1_555 |
76 |
24 |
8631 |
670.0 |
-11.2 |
0.702 |
12 |
0 |
0 |
0.495 |
9 |
12 |
|
E |
54 |
14 |
8631 |
◊ |
A |
x,y,z |
1_555 |
55 |
14 |
8552 |
588.5 |
-11.1 |
0.163 |
1 |
2 |
0 |
0.167 |
10 |
13 |
|
J |
62 |
13 |
31890 |
◊ |
C |
x,y,z |
1_555 |
48 |
19 |
8878 |
480.7 |
-8.2 |
0.623 |
12 |
0 |
0 |
0.199 |
11 |
14 |
|
H |
52 |
12 |
7539 |
◊ |
F |
x,y,z |
1_555 |
48 |
11 |
7237 |
445.8 |
-4.2 |
0.566 |
5 |
1 |
0 |
0.214 |
15 |
|
D |
45 |
12 |
7607 |
◊ |
B |
x,y,z |
1_555 |
42 |
9 |
6351 |
434.9 |
-4.9 |
0.492 |
4 |
1 |
0 |
0.214 |
Average: |
440.4 |
-4.6 |
0.529 |
5 |
1 |
0 |
0.214 |
12 |
16 |
|
I |
68 |
14 |
31926 |
◊ |
C |
x,y,z |
1_555 |
55 |
15 |
8878 |
439.8 |
-7.5 |
0.702 |
6 |
0 |
0 |
0.079 |
13 |
17 |
|
I |
51 |
12 |
31926 |
◊ |
D |
x,y,z |
1_555 |
47 |
16 |
7607 |
417.0 |
-9.4 |
0.527 |
12 |
0 |
0 |
0.573 |
14 |
18 |
|
I |
54 |
11 |
31926 |
◊ |
G |
x,y,z |
1_555 |
44 |
17 |
8510 |
411.7 |
-4.3 |
0.728 |
11 |
0 |
0 |
0.140 |
15 |
19 |
|
G |
41 |
15 |
8510 |
◊ |
B |
x,y,z |
1_555 |
48 |
11 |
6351 |
405.3 |
-3.4 |
0.376 |
5 |
0 |
0 |
0.079 |
20 |
|
C |
43 |
14 |
8878 |
◊ |
F |
x,y,z |
1_555 |
49 |
13 |
7237 |
390.7 |
-4.7 |
0.355 |
5 |
0 |
0 |
0.079 |
Average: |
398.0 |
-4.1 |
0.366 |
5 |
0 |
0 |
0.079 |
16 |
21 |
|
J |
53 |
11 |
31890 |
◊ |
G |
x,y,z |
1_555 |
47 |
13 |
8510 |
380.7 |
-4.0 |
0.742 |
6 |
0 |
0 |
0.054 |
17 |
22 |
|
J |
41 |
7 |
31890 |
◊ |
B |
x,y,z |
1_555 |
37 |
14 |
6351 |
352.2 |
-5.6 |
0.595 |
9 |
0 |
0 |
0.153 |
18 |
23 |
|
I |
42 |
8 |
31926 |
◊ |
F |
x,y,z |
1_555 |
37 |
14 |
7237 |
334.5 |
-5.7 |
0.593 |
5 |
0 |
0 |
0.073 |
19 |
24 |
|
J |
42 |
9 |
31890 |
◊ |
H |
x,y,z |
1_555 |
36 |
12 |
7539 |
300.3 |
-11.1 |
0.373 |
6 |
0 |
0 |
0.647 |
20 |
25 |
|
J |
40 |
11 |
31890 |
◊ |
F |
x,y,z |
1_555 |
28 |
10 |
7237 |
291.4 |
-4.1 |
0.656 |
4 |
0 |
0 |
0.094 |
21 |
26 |
|
J |
34 |
7 |
31890 |
◊ |
D |
x,y,z |
1_555 |
34 |
10 |
7607 |
264.0 |
-5.1 |
0.629 |
5 |
0 |
0 |
0.116 |
22 |
27 |
|
I |
33 |
6 |
31926 |
◊ |
H |
x,y,z |
1_555 |
32 |
10 |
7539 |
241.9 |
-4.0 |
0.660 |
2 |
0 |
0 |
0.045 |
23 |
28 |
|
D |
33 |
11 |
7607 |
◊ |
F |
x,y,z |
1_555 |
27 |
7 |
7237 |
238.2 |
-2.0 |
0.600 |
1 |
0 |
0 |
0.103 |
29 |
|
H |
31 |
10 |
7539 |
◊ |
B |
x,y,z |
1_555 |
26 |
7 |
6351 |
222.1 |
-2.7 |
0.534 |
3 |
0 |
0 |
0.103 |
Average: |
230.2 |
-2.3 |
0.567 |
2 |
0 |
0 |
0.103 |
24 |
30 |
|
I |
36 |
10 |
31926 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
6351 |
235.2 |
-0.3 |
0.817 |
2 |
0 |
0 |
0.014 |
25 |
31 |
|
D |
25 |
7 |
7607 |
◊ |
F |
-x,y-1/2,-z+1/2 |
4_545 |
24 |
7 |
7237 |
221.5 |
1.2 |
0.808 |
4 |
1 |
0 |
0.002 |
26 |
32 |
|
C |
22 |
6 |
8878 |
◊ |
F |
-x,y-1/2,-z+1/2 |
4_545 |
17 |
6 |
7237 |
184.8 |
-1.4 |
0.535 |
1 |
1 |
0 |
0.004 |
27 |
33 |
|
G |
16 |
4 |
8510 |
◊ |
C |
x,y,z |
1_555 |
17 |
4 |
8878 |
125.7 |
0.3 |
0.721 |
2 |
0 |
0 |
0.004 |
28 |
34 |
|
A |
12 |
3 |
8552 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
4_645 |
16 |
3 |
31890 |
105.1 |
-2.1 |
0.571 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
D |
10 |
3 |
7607 |
◊ |
J |
-x,y-1/2,-z+1/2 |
4_545 |
12 |
3 |
31890 |
96.5 |
-2.1 |
0.548 |
2 |
0 |
0 |
0.008 |
30 |
36 |
|
D |
10 |
5 |
7607 |
◊ |
E |
-x,y-1/2,-z+1/2 |
4_545 |
9 |
2 |
8631 |
76.0 |
0.2 |
0.742 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
J |
12 |
3 |
31890 |
◊ |
I |
x-1/2,-y+1/2,-z+1 |
3_456 |
13 |
1 |
31926 |
74.4 |
1.5 |
0.817 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
D |
9 |
4 |
7607 |
◊ |
I |
-x,y-1/2,-z+1/2 |
4_545 |
10 |
3 |
31926 |
74.2 |
-1.3 |
0.569 |
0 |
0 |
0 |
0.007 |
33 |
39 |
|
I |
13 |
1 |
31926 |
◊ |
J |
x-1/2,-y+1/2,-z+1 |
3_456 |
14 |
2 |
31890 |
73.9 |
0.6 |
0.769 |
1 |
0 |
0 |
0.000 |
34 |
40 |
|
C |
12 |
3 |
8878 |
◊ |
E |
-x,y-1/2,-z+1/2 |
4_545 |
11 |
3 |
8631 |
73.4 |
0.2 |
0.697 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
I |
9 |
2 |
31926 |
◊ |
H |
-x,y-1/2,-z+1/2 |
4_545 |
8 |
3 |
7539 |
65.6 |
-1.7 |
0.530 |
1 |
0 |
0 |
0.000 |
36 |
42 |
|
[CL]E:201 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
10 |
3 |
8631 |
60.8 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.281 |
43 |
|
[CL]A:201 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
8552 |
59.1 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.281 |
Average: |
59.9 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.281 |
37 |
44 |
|
H |
4 |
2 |
7539 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
8878 |
60.4 |
0.1 |
0.656 |
0 |
0 |
0 |
0.010 |
45 |
|
D |
3 |
2 |
7607 |
◊ |
G |
x,y,z |
1_555 |
8 |
3 |
8510 |
45.3 |
-0.2 |
0.583 |
1 |
0 |
0 |
0.010 |
Average: |
52.8 |
-0.1 |
0.620 |
1 |
0 |
0 |
0.010 |
38 |
46 |
|
C |
7 |
4 |
8878 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
8552 |
55.9 |
1.7 |
0.874 |
1 |
0 |
0 |
0.000 |
47 |
|
G |
6 |
3 |
8510 |
◊ |
E |
x,y,z |
1_555 |
5 |
4 |
8631 |
39.9 |
1.3 |
0.856 |
0 |
0 |
0 |
0.000 |
Average: |
47.9 |
1.5 |
0.865 |
1 |
0 |
0 |
0.000 |
39 |
48 |
|
[MN]I:402 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
7 |
3 |
31926 |
55.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.175 |
40 |
49 |
|
[MN]J:302 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
31890 |
54.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.172 |
41 |
50 |
|
[MN]I:403 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
10 |
3 |
31926 |
53.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.139 |
42 |
51 |
|
I |
8 |
2 |
31926 |
◊ |
G |
-x+1,y-1/2,-z+1/2 |
4_645 |
4 |
2 |
8510 |
51.7 |
-1.7 |
0.491 |
1 |
0 |
0 |
0.000 |
43 |
52 |
|
[MN]J:301 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
31890 |
49.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.181 |
44 |
53 |
|
[CL]C:201 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
8878 |
46.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.100 |
54 |
|
[CL]G:201 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
8 |
4 |
8510 |
46.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
46.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.100 |
45 |
55 |
|
[CL]C:201 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
7607 |
41.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.079 |
56 |
|
[CL]G:201 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
7539 |
41.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
41.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.079 |
46 |
57 |
|
[MN]I:401 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
4 |
3 |
31890 |
38.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.008 |
47 |
58 |
|
J |
8 |
1 |
31890 |
x |
J |
x-1/2,-y+1/2,-z+1 |
3_456 |
5 |
1 |
31890 |
37.3 |
-0.1 |
0.609 |
0 |
0 |
0 |
0.000 |
48 |
59 |
|
[MN]I:403 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
31890 |
35.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.006 |
49 |
60 |
|
J |
4 |
1 |
31890 |
◊ |
H |
-x,y-1/2,-z+1/2 |
4_545 |
3 |
2 |
7539 |
33.9 |
-0.8 |
0.506 |
1 |
0 |
0 |
0.000 |
50 |
61 |
|
[MN]I:401 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
4 |
2 |
31926 |
29.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.113 |
51 |
62 |
|
[MN]I:402 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
31890 |
27.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.003 |
52 |
63 |
|
J |
5 |
2 |
31890 |
◊ |
I |
-x+1,y-1/2,-z+1/2 |
4_645 |
6 |
2 |
31926 |
24.2 |
-0.4 |
0.584 |
0 |
0 |
0 |
0.000 |
53 |
64 |
|
H |
3 |
2 |
7539 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
7607 |
18.5 |
1.2 |
0.918 |
0 |
0 |
0 |
0.000 |
54 |
65 |
|
[CL]C:201 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
31890 |
17.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.038 |
55 |
66 |
|
[CL]G:201 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
31926 |
15.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.036 |
56 |
67 |
|
[MN]J:301 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
31926 |
15.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
57 |
68 |
|
[CL]E:201 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
7237 |
13.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.024 |
69 |
|
[CL]A:201 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6351 |
9.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
11.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.024 |
58 |
70 |
|
D |
2 |
1 |
7607 |
◊ |
[MN]I:403 |
-x,y-1/2,-z+1/2 |
4_545 |
1 |
1 |
123 |
13.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.003 |
59 |
71 |
|
I |
3 |
3 |
31926 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
4_645 |
4 |
3 |
31890 |
13.2 |
-1.4 |
0.405 |
0 |
0 |
0 |
0.000 |
60 |
72 |
|
I |
2 |
1 |
31926 |
x |
I |
x-1,y,z |
1_455 |
2 |
1 |
31926 |
12.4 |
-1.1 |
0.308 |
0 |
0 |
0 |
0.000 |
61 |
73 |
|
I |
1 |
1 |
31926 |
x |
I |
x-1/2,-y+1/2,-z+1 |
3_456 |
2 |
1 |
31926 |
9.1 |
0.4 |
0.641 |
0 |
0 |
0 |
0.000 |
62 |
74 |
|
C |
3 |
2 |
8878 |
◊ |
J |
-x,y-1/2,-z+1/2 |
4_545 |
1 |
1 |
31890 |
6.2 |
-0.3 |
0.354 |
0 |
0 |
0 |
0.000 |
63 |
75 |
|
J |
2 |
1 |
31890 |
x |
J |
-x+1,y-1/2,-z+1/2 |
4_645 |
4 |
2 |
31890 |
5.9 |
-0.1 |
0.498 |
0 |
0 |
0 |
0.000 |
64 |
76 |
|
[MN]J:302 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
31926 |
4.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
|