## |
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 |
681 |
146 |
32336 |
◊ |
I |
x,y,z |
1_555 |
693 |
146 |
32269 |
6317.1 |
-68.9 |
0.990 |
346 |
0 |
0 |
0.922 |
2 |
2 |
|
B |
236 |
56 |
6995 |
◊ |
A |
x,y,z |
1_555 |
267 |
61 |
8738 |
2535.3 |
-44.0 |
0.041 |
23 |
4 |
0 |
0.837 |
3 |
|
F |
216 |
50 |
6354 |
◊ |
E |
x,y,z |
1_555 |
246 |
59 |
8538 |
2431.7 |
-37.3 |
0.066 |
23 |
8 |
0 |
0.837 |
Average: |
2483.5 |
-40.6 |
0.053 |
23 |
6 |
0 |
0.837 |
3 |
4 |
|
D |
250 |
62 |
8791 |
◊ |
C |
x,y,z |
1_555 |
254 |
60 |
8318 |
2525.4 |
-43.8 |
0.028 |
21 |
8 |
0 |
0.827 |
5 |
|
H |
244 |
62 |
8064 |
◊ |
G |
x,y,z |
1_555 |
239 |
60 |
8630 |
2440.5 |
-44.2 |
0.017 |
19 |
6 |
0 |
0.827 |
Average: |
2482.9 |
-44.0 |
0.022 |
20 |
7 |
0 |
0.827 |
4 |
6 |
|
I |
100 |
21 |
32269 |
◊ |
E |
x,y,z |
1_555 |
79 |
23 |
8538 |
763.9 |
-10.4 |
0.665 |
12 |
0 |
0 |
0.412 |
5 |
7 |
|
J |
95 |
19 |
32336 |
◊ |
A |
x,y,z |
1_555 |
81 |
22 |
8738 |
746.7 |
-6.2 |
0.793 |
13 |
0 |
0 |
0.245 |
6 |
8 |
|
I |
94 |
18 |
32269 |
◊ |
A |
x,y,z |
1_555 |
72 |
20 |
8738 |
690.8 |
-10.9 |
0.649 |
11 |
0 |
0 |
0.391 |
7 |
9 |
|
J |
85 |
15 |
32336 |
◊ |
E |
x,y,z |
1_555 |
75 |
20 |
8538 |
678.9 |
-10.2 |
0.626 |
14 |
0 |
0 |
0.576 |
8 |
10 |
|
C |
60 |
16 |
8318 |
◊ |
E |
x,y,z |
1_555 |
64 |
20 |
8538 |
671.6 |
-7.6 |
0.305 |
6 |
0 |
0 |
0.217 |
11 |
|
G |
62 |
17 |
8630 |
◊ |
A |
x,y,z |
1_555 |
61 |
21 |
8738 |
649.8 |
-7.5 |
0.324 |
7 |
0 |
0 |
0.217 |
Average: |
660.7 |
-7.5 |
0.314 |
7 |
0 |
0 |
0.217 |
9 |
12 |
|
I |
84 |
16 |
32269 |
◊ |
D |
x,y,z |
1_555 |
68 |
19 |
8791 |
639.3 |
-7.2 |
0.682 |
11 |
0 |
0 |
0.240 |
10 |
13 |
|
E |
59 |
14 |
8538 |
◊ |
A |
x,y,z |
1_555 |
55 |
14 |
8738 |
567.0 |
-11.6 |
0.151 |
2 |
2 |
0 |
0.388 |
11 |
14 |
|
D |
52 |
12 |
8791 |
◊ |
B |
x,y,z |
1_555 |
52 |
11 |
6995 |
512.1 |
-1.9 |
0.632 |
5 |
3 |
0 |
0.055 |
15 |
|
H |
48 |
12 |
8064 |
◊ |
F |
x,y,z |
1_555 |
51 |
12 |
6354 |
471.3 |
-2.9 |
0.582 |
5 |
2 |
0 |
0.055 |
Average: |
491.7 |
-2.4 |
0.607 |
5 |
3 |
0 |
0.055 |
12 |
16 |
|
J |
59 |
11 |
32336 |
◊ |
C |
x,y,z |
1_555 |
49 |
15 |
8318 |
468.9 |
-5.6 |
0.641 |
9 |
0 |
0 |
0.169 |
13 |
17 |
|
J |
64 |
14 |
32336 |
◊ |
H |
x,y,z |
1_555 |
41 |
15 |
8064 |
462.4 |
-4.9 |
0.694 |
7 |
0 |
0 |
0.069 |
14 |
18 |
|
I |
51 |
12 |
32269 |
◊ |
G |
x,y,z |
1_555 |
43 |
16 |
8630 |
450.1 |
-6.2 |
0.573 |
5 |
0 |
0 |
0.057 |
15 |
19 |
|
J |
59 |
10 |
32336 |
◊ |
D |
x,y,z |
1_555 |
47 |
14 |
8791 |
433.1 |
-4.7 |
0.690 |
6 |
0 |
0 |
0.054 |
16 |
20 |
|
G |
45 |
15 |
8630 |
◊ |
B |
x,y,z |
1_555 |
49 |
12 |
6995 |
411.9 |
-4.1 |
0.361 |
5 |
0 |
0 |
0.041 |
21 |
|
C |
39 |
13 |
8318 |
◊ |
F |
x,y,z |
1_555 |
46 |
12 |
6354 |
388.9 |
-4.1 |
0.350 |
5 |
0 |
0 |
0.041 |
Average: |
400.4 |
-4.1 |
0.355 |
5 |
0 |
0 |
0.041 |
17 |
22 |
|
I |
52 |
12 |
32269 |
◊ |
C |
x,y,z |
1_555 |
43 |
13 |
8318 |
380.5 |
-1.9 |
0.765 |
4 |
0 |
0 |
0.028 |
18 |
23 |
|
J |
51 |
10 |
32336 |
◊ |
G |
x,y,z |
1_555 |
47 |
13 |
8630 |
370.4 |
-4.0 |
0.673 |
5 |
0 |
0 |
0.127 |
19 |
24 |
|
J |
45 |
7 |
32336 |
◊ |
B |
x,y,z |
1_555 |
40 |
14 |
6995 |
362.8 |
-5.3 |
0.569 |
6 |
0 |
0 |
0.059 |
20 |
25 |
|
I |
40 |
8 |
32269 |
◊ |
F |
x,y,z |
1_555 |
39 |
13 |
6354 |
325.8 |
-6.9 |
0.479 |
4 |
0 |
0 |
0.059 |
21 |
26 |
|
I |
35 |
6 |
32269 |
◊ |
H |
x,y,z |
1_555 |
36 |
12 |
8064 |
292.3 |
-4.2 |
0.592 |
4 |
0 |
0 |
0.041 |
22 |
27 |
|
D |
35 |
11 |
8791 |
◊ |
F |
x,y,z |
1_555 |
29 |
7 |
6354 |
269.3 |
-0.5 |
0.690 |
5 |
1 |
0 |
0.032 |
28 |
|
H |
34 |
11 |
8064 |
◊ |
B |
x,y,z |
1_555 |
29 |
8 |
6995 |
259.8 |
-0.5 |
0.681 |
5 |
1 |
0 |
0.032 |
Average: |
264.5 |
-0.5 |
0.685 |
5 |
1 |
0 |
0.032 |
23 |
29 |
|
H |
26 |
7 |
8064 |
◊ |
B |
-x+3/2,-y+2,z-1/2 |
2_674 |
25 |
6 |
6995 |
229.7 |
0.5 |
0.708 |
5 |
1 |
0 |
0.000 |
24 |
30 |
|
I |
37 |
9 |
32269 |
◊ |
B |
x,y,z |
1_555 |
23 |
9 |
6995 |
223.5 |
-1.8 |
0.689 |
2 |
0 |
0 |
0.027 |
25 |
31 |
|
J |
30 |
9 |
32336 |
◊ |
F |
x,y,z |
1_555 |
25 |
10 |
6354 |
214.1 |
-2.5 |
0.621 |
3 |
0 |
0 |
0.047 |
26 |
32 |
|
G |
25 |
7 |
8630 |
◊ |
B |
-x+3/2,-y+2,z-1/2 |
2_674 |
20 |
6 |
6995 |
185.6 |
-0.9 |
0.577 |
1 |
2 |
0 |
0.009 |
27 |
33 |
|
G |
17 |
4 |
8630 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
8318 |
123.5 |
0.0 |
0.675 |
1 |
0 |
0 |
0.003 |
28 |
34 |
|
I |
18 |
3 |
32269 |
◊ |
J |
x-1/2,-y+5/2,-z+1 |
4_476 |
20 |
4 |
32336 |
112.9 |
3.8 |
0.904 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
H |
14 |
5 |
8064 |
◊ |
I |
-x+3/2,-y+2,z-1/2 |
2_674 |
16 |
4 |
32269 |
112.6 |
-1.1 |
0.589 |
2 |
0 |
0 |
0.000 |
30 |
36 |
|
D |
14 |
2 |
8791 |
◊ |
J |
x-1/2,-y+3/2,-z+1 |
4_466 |
15 |
3 |
32336 |
100.5 |
-3.4 |
0.398 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
C |
12 |
4 |
8318 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
8738 |
100.1 |
1.0 |
0.793 |
2 |
0 |
0 |
0.000 |
38 |
|
G |
2 |
2 |
8630 |
◊ |
E |
x,y,z |
1_555 |
6 |
4 |
8538 |
33.8 |
0.3 |
0.715 |
0 |
0 |
0 |
0.000 |
Average: |
67.0 |
0.6 |
0.754 |
1 |
0 |
0 |
0.000 |
32 |
39 |
|
G |
9 |
3 |
8630 |
◊ |
A |
-x+3/2,-y+2,z-1/2 |
2_674 |
14 |
5 |
8738 |
99.0 |
1.1 |
0.745 |
1 |
0 |
0 |
0.000 |
33 |
40 |
|
I |
15 |
4 |
32269 |
◊ |
D |
-x+3/2,-y+2,z-1/2 |
2_674 |
11 |
5 |
8791 |
97.8 |
-1.5 |
0.593 |
3 |
0 |
0 |
0.000 |
34 |
41 |
|
E |
10 |
3 |
8538 |
◊ |
J |
-x+1/2,-y+2,z-1/2 |
2_574 |
11 |
2 |
32336 |
93.3 |
-3.0 |
0.381 |
2 |
0 |
0 |
0.000 |
35 |
42 |
|
J |
11 |
3 |
32336 |
◊ |
D |
-x+3/2,-y+2,z-1/2 |
2_674 |
11 |
3 |
8791 |
91.0 |
-3.6 |
0.342 |
1 |
0 |
0 |
0.023 |
36 |
43 |
|
[CL]A:442 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
8738 |
62.8 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.546 |
44 |
|
[CL]E:443 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
11 |
4 |
8538 |
60.1 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.546 |
Average: |
61.5 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.546 |
37 |
45 |
|
H |
6 |
4 |
8064 |
◊ |
A |
-x+3/2,-y+2,z-1/2 |
2_674 |
8 |
2 |
8738 |
62.7 |
0.0 |
0.665 |
0 |
0 |
0 |
0.000 |
38 |
46 |
|
J |
7 |
1 |
32336 |
◊ |
I |
x-1/2,-y+5/2,-z+1 |
4_476 |
9 |
1 |
32269 |
60.6 |
-0.9 |
0.550 |
0 |
0 |
0 |
0.000 |
39 |
47 |
|
D |
4 |
2 |
8791 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
8630 |
58.4 |
-0.6 |
0.376 |
0 |
0 |
0 |
0.003 |
48 |
|
H |
5 |
2 |
8064 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
8318 |
55.7 |
-0.1 |
0.637 |
0 |
0 |
0 |
0.003 |
Average: |
57.1 |
-0.3 |
0.506 |
0 |
0 |
0 |
0.003 |
40 |
49 |
|
H |
6 |
2 |
8064 |
◊ |
J |
-x+3/2,-y+2,z-1/2 |
2_674 |
8 |
2 |
32336 |
56.3 |
-1.9 |
0.352 |
0 |
0 |
0 |
0.000 |
41 |
50 |
|
[MN]I:436 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
32269 |
51.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.103 |
42 |
51 |
|
[MN]I:438 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
10 |
3 |
32269 |
49.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.085 |
43 |
52 |
|
[MN]A:434 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
8738 |
48.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.065 |
44 |
53 |
|
[MN]I:439 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
7 |
3 |
32269 |
46.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.069 |
45 |
54 |
|
[CL]C:441 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
8318 |
45.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.122 |
55 |
|
[CL]G:440 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
8 |
4 |
8630 |
44.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.122 |
Average: |
44.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.122 |
46 |
56 |
|
[MN]I:437 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
5 |
2 |
32269 |
45.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.095 |
47 |
57 |
|
[CL]C:441 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
8791 |
43.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.083 |
58 |
|
[CL]G:440 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
8064 |
42.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.083 |
Average: |
42.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.083 |
48 |
59 |
|
E |
9 |
3 |
8538 |
◊ |
[MN]J:435 |
-x+1/2,-y+2,z-1/2 |
2_574 |
1 |
1 |
123 |
41.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
60 |
|
I |
7 |
1 |
32269 |
x |
I |
x-1/2,-y+5/2,-z+1 |
4_476 |
8 |
1 |
32269 |
40.9 |
0.4 |
0.660 |
0 |
0 |
0 |
0.000 |
50 |
61 |
|
[MN]J:435 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
7 |
2 |
32336 |
37.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.106 |
51 |
62 |
|
H |
8 |
4 |
8064 |
◊ |
[MN]A:434 |
-x+3/2,-y+2,z-1/2 |
2_674 |
1 |
1 |
123 |
37.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
63 |
|
J |
7 |
2 |
32336 |
x |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
1 |
32336 |
30.4 |
-0.5 |
0.532 |
0 |
0 |
0 |
0.000 |
53 |
64 |
|
I |
3 |
1 |
32269 |
◊ |
J |
x-1/2,-y+3/2,-z+1 |
4_466 |
10 |
2 |
32336 |
25.8 |
-1.8 |
0.362 |
0 |
0 |
0 |
0.000 |
54 |
65 |
|
J |
2 |
2 |
32336 |
x |
J |
-x+1/2,-y+2,z-1/2 |
2_574 |
3 |
2 |
32336 |
25.4 |
-2.7 |
0.210 |
0 |
0 |
0 |
0.000 |
55 |
66 |
|
[MN]I:437 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
32336 |
23.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.005 |
56 |
67 |
|
J |
4 |
1 |
32336 |
x |
J |
x-1/2,-y+5/2,-z+1 |
4_476 |
3 |
1 |
32336 |
22.5 |
-0.0 |
0.553 |
0 |
0 |
0 |
0.000 |
57 |
68 |
|
[CL]G:440 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
32269 |
18.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.018 |
58 |
69 |
|
G |
3 |
1 |
8630 |
◊ |
[MN]A:434 |
-x+3/2,-y+2,z-1/2 |
2_674 |
1 |
1 |
123 |
16.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
70 |
|
[CL]C:441 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32336 |
15.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.042 |
60 |
71 |
|
[MN]A:434 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
6995 |
14.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
61 |
72 |
|
[CL]A:442 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6995 |
13.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.023 |
73 |
|
[CL]E:443 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
6354 |
3.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
8.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.023 |
62 |
74 |
|
I |
2 |
1 |
32269 |
◊ |
[MN]J:435 |
-x+1/2,-y+2,z-1/2 |
2_574 |
1 |
1 |
123 |
12.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
75 |
|
[MN]I:438 |
1 |
1 |
123 |
◊ |
I |
-x+1/2,-y+2,z-1/2 |
2_574 |
3 |
1 |
32269 |
8.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
64 |
76 |
|
[MN]I:438 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32336 |
7.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.003 |
65 |
77 |
|
J |
1 |
1 |
32336 |
◊ |
I |
-x+1/2,-y+2,z-1/2 |
2_574 |
1 |
1 |
32269 |
6.2 |
-0.3 |
0.246 |
0 |
0 |
0 |
0.000 |
66 |
78 |
|
G |
2 |
2 |
8630 |
◊ |
I |
-x+3/2,-y+2,z-1/2 |
2_674 |
2 |
2 |
32269 |
5.4 |
-0.2 |
0.478 |
0 |
0 |
0 |
0.001 |
67 |
79 |
|
[MN]I:436 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32336 |
4.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
68 |
80 |
|
I |
3 |
1 |
32269 |
x |
I |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
32269 |
3.7 |
-0.3 |
0.285 |
0 |
0 |
0 |
0.000 |
69 |
81 |
|
J |
1 |
1 |
32336 |
◊ |
I |
x-1,y,z |
1_455 |
1 |
1 |
32269 |
3.3 |
-0.4 |
0.188 |
0 |
0 |
0 |
0.000 |
70 |
82 |
|
[MN]I:439 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32336 |
2.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
71 |
83 |
|
H |
1 |
1 |
8064 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
8538 |
2.3 |
-0.1 |
0.510 |
0 |
0 |
0 |
0.000 |
72 |
84 |
|
F |
1 |
1 |
6354 |
◊ |
[MN]J:435 |
-x+1/2,-y+2,z-1/2 |
2_574 |
1 |
1 |
123 |
1.9 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
73 |
85 |
|
G |
1 |
1 |
8630 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
6354 |
1.8 |
0.1 |
0.770 |
0 |
0 |
0 |
0.000 |
74 |
86 |
|
E |
1 |
1 |
8538 |
◊ |
I |
-x+1/2,-y+2,z-1/2 |
2_574 |
1 |
1 |
32269 |
1.4 |
-0.1 |
0.391 |
0 |
0 |
0 |
0.000 |
75 |
87 |
|
[MN]I:436 |
1 |
1 |
123 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8791 |
1.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
76 |
88 |
|
H |
1 |
1 |
8064 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8791 |
0.1 |
-0.0 |
0.692 |
0 |
0 |
0 |
0.000 |
|