| ## |
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 |
140 |
34 |
6323 |
◊ |
A |
x,y,z |
1_555 |
135 |
32 |
6271 |
1358.0 |
-25.9 |
0.210 |
9 |
8 |
0 |
0.337 |
| 2 |
2 |
|
D |
115 |
28 |
5745 |
◊ |
C |
x,y,z |
1_555 |
119 |
29 |
5708 |
1148.9 |
-26.7 |
0.073 |
5 |
4 |
0 |
0.332 |
| 3 |
3 |
|
B |
36 |
10 |
6323 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
42 |
8 |
5708 |
357.8 |
-6.5 |
0.414 |
0 |
0 |
0 |
0.000 |
4 |
|
D |
43 |
8 |
5745 |
◊ |
A |
x,y,z |
1_555 |
37 |
10 |
6271 |
337.6 |
-7.2 |
0.374 |
0 |
0 |
0 |
0.000 |
| Average: |
347.7 |
-6.8 |
0.394 |
0 |
0 |
0 |
0.000 |
| 4 |
5 |
|
C |
37 |
10 |
5708 |
◊ |
B |
x,y,z |
1_555 |
43 |
9 |
6323 |
326.5 |
-6.4 |
0.393 |
0 |
0 |
0 |
0.000 |
6 |
|
A |
40 |
8 |
6271 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
33 |
9 |
5745 |
306.5 |
-5.9 |
0.387 |
0 |
0 |
0 |
0.000 |
| Average: |
316.5 |
-6.1 |
0.390 |
0 |
0 |
0 |
0.000 |
| 5 |
7 |
|
D |
36 |
10 |
5745 |
◊ |
D |
-x,-y+3/2,z |
6_565 |
36 |
10 |
5745 |
322.4 |
-6.3 |
0.423 |
2 |
0 |
0 |
0.071 |
8 |
|
C |
36 |
8 |
5708 |
◊ |
C |
-x+1,-y+3/2,z |
6_665 |
36 |
8 |
5708 |
285.4 |
-5.6 |
0.383 |
2 |
0 |
0 |
0.071 |
| Average: |
303.9 |
-6.0 |
0.403 |
2 |
0 |
0 |
0.071 |
| 6 |
9 |
|
B |
22 |
7 |
6323 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
22 |
7 |
6271 |
216.2 |
1.0 |
0.875 |
2 |
8 |
0 |
0.000 |
| 7 |
10 |
|
B |
23 |
8 |
6323 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
22 |
7 |
5745 |
204.5 |
-5.8 |
0.172 |
0 |
0 |
0 |
0.121 |
11 |
|
C |
19 |
7 |
5708 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
6271 |
199.1 |
-5.5 |
0.127 |
0 |
0 |
0 |
0.121 |
| Average: |
201.8 |
-5.6 |
0.150 |
0 |
0 |
0 |
0.121 |
| 8 |
12 |
|
C |
24 |
8 |
5708 |
◊ |
A |
-x+1,-y+3/2,z |
6_665 |
24 |
8 |
6271 |
190.5 |
0.0 |
0.765 |
3 |
0 |
0 |
0.029 |
13 |
|
D |
24 |
8 |
5745 |
◊ |
B |
x-1/2,y+1/2,z+1/2 |
5_455 |
22 |
9 |
6323 |
170.8 |
-0.2 |
0.770 |
3 |
0 |
0 |
0.029 |
| Average: |
180.7 |
-0.1 |
0.768 |
3 |
0 |
0 |
0.029 |
| 9 |
14 |
|
B |
15 |
4 |
6323 |
◊ |
B |
-x+1,-y+3/2,z |
6_665 |
15 |
4 |
6323 |
142.4 |
-4.4 |
0.222 |
0 |
0 |
0 |
0.000 |
15 |
|
A |
16 |
4 |
6271 |
◊ |
A |
-x+1,-y+1/2,z |
6_655 |
16 |
4 |
6271 |
139.6 |
-4.1 |
0.290 |
0 |
0 |
0 |
0.000 |
| Average: |
141.0 |
-4.3 |
0.256 |
0 |
0 |
0 |
0.000 |
| 10 |
16 |
|
B |
17 |
4 |
6323 |
f |
[MPD]C:203 |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
1 |
277 |
119.4 |
-6.7 |
0.846 |
1 |
0 |
0 |
0.100 |
| 11 |
17 |
|
[MPD]A:201 |
7 |
1 |
275 |
f |
A |
x,y,z |
1_555 |
18 |
4 |
6271 |
114.3 |
-6.5 |
0.879 |
0 |
0 |
0 |
0.142 |
| 12 |
18 |
|
[MPD]B:201 |
7 |
1 |
278 |
f |
C |
x,y,z |
1_555 |
16 |
4 |
5708 |
112.1 |
-6.6 |
0.848 |
1 |
0 |
0 |
0.153 |
| 13 |
19 |
|
[MPD]D:202 |
7 |
1 |
279 |
f |
D |
x,y,z |
1_555 |
15 |
4 |
5745 |
105.1 |
-6.1 |
0.865 |
1 |
0 |
0 |
0.092 |
| 14 |
20 |
|
[MPD]D:203 |
7 |
1 |
281 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
5745 |
100.3 |
-6.7 |
0.702 |
0 |
0 |
0 |
0.094 |
| 15 |
21 |
|
[MPD]D:203 |
6 |
1 |
281 |
◊ |
C |
-x+1,-y+3/2,z |
6_665 |
17 |
4 |
5708 |
99.4 |
-6.4 |
0.750 |
0 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[MPD]B:201 |
5 |
1 |
278 |
◊ |
D |
x,y,z |
1_555 |
14 |
4 |
5745 |
97.8 |
-6.6 |
0.653 |
0 |
0 |
0 |
0.075 |
| 17 |
23 |
|
[MPD]C:202 |
5 |
1 |
279 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
5708 |
91.9 |
-5.5 |
0.747 |
0 |
0 |
0 |
0.004 |
| 18 |
24 |
|
A |
13 |
4 |
6271 |
◊ |
[MPD]C:203 |
-x+1/2,-y+1,z-1/2 |
2_564 |
6 |
1 |
277 |
91.7 |
-6.3 |
0.681 |
0 |
0 |
0 |
0.068 |
| 19 |
25 |
|
[MPD]D:202 |
5 |
1 |
279 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
5708 |
90.3 |
-6.1 |
0.641 |
0 |
0 |
0 |
0.069 |
| 20 |
26 |
|
[MPD]B:202 |
6 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
16 |
4 |
6323 |
89.4 |
-5.4 |
0.828 |
0 |
0 |
0 |
0.076 |
| 21 |
27 |
|
[MPD]C:202 |
5 |
1 |
279 |
f |
B |
x-1/2,y+1/2,z+1/2 |
5_455 |
15 |
4 |
6323 |
88.1 |
-4.9 |
0.874 |
2 |
0 |
0 |
0.081 |
| 22 |
28 |
|
[MPD]A:201 |
6 |
1 |
275 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
6323 |
79.4 |
-5.2 |
0.666 |
0 |
0 |
0 |
0.056 |
| 23 |
29 |
|
[MPD]B:202 |
7 |
1 |
278 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
6271 |
76.3 |
-4.4 |
0.784 |
2 |
0 |
0 |
0.057 |
| 24 |
30 |
|
[MPD]C:204 |
5 |
1 |
277 |
f |
A |
-x+1,-y+3/2,z |
6_665 |
10 |
4 |
6271 |
73.2 |
-4.3 |
0.702 |
0 |
0 |
0 |
0.094 |
| 25 |
31 |
|
[MPD]C:201 |
4 |
1 |
278 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
5745 |
71.7 |
-4.2 |
0.776 |
1 |
0 |
0 |
0.066 |
| 26 |
32 |
|
[MPD]D:201 |
5 |
1 |
279 |
f |
B |
x-1/2,y+1/2,z+1/2 |
5_455 |
12 |
4 |
6323 |
71.7 |
-4.3 |
0.722 |
1 |
0 |
0 |
0.066 |
| 27 |
33 |
|
[MPD]C:204 |
6 |
1 |
277 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
5708 |
69.6 |
-3.8 |
0.807 |
1 |
0 |
0 |
0.092 |
| 28 |
34 |
|
[MPD]D:204 |
5 |
1 |
273 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
5708 |
65.7 |
-3.8 |
0.000 |
1 |
0 |
0 |
0.092 |
| 29 |
35 |
|
[MPD]C:201 |
4 |
1 |
278 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
5708 |
65.3 |
-3.9 |
0.691 |
0 |
0 |
0 |
0.044 |
| 30 |
36 |
|
[MPD]D:204 |
5 |
1 |
273 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
5745 |
64.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.044 |
| 31 |
37 |
|
A |
9 |
4 |
6271 |
◊ |
[MPD]D:204 |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
1 |
273 |
63.5 |
-3.6 |
0.000 |
1 |
0 |
0 |
0.000 |
| 32 |
38 |
|
[MPD]D:201 |
6 |
1 |
279 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
5745 |
63.4 |
-3.7 |
0.836 |
2 |
0 |
0 |
0.064 |
| 33 |
39 |
|
B |
9 |
4 |
6323 |
◊ |
A |
-x+3/2,y,-z+1 |
7_656 |
8 |
3 |
6271 |
61.8 |
1.1 |
0.859 |
0 |
0 |
0 |
0.000 |
| 34 |
40 |
|
[MPD]C:201 |
5 |
1 |
278 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
6323 |
60.3 |
-3.3 |
0.801 |
0 |
0 |
0 |
0.000 |
| 35 |
41 |
|
[MPD]C:202 |
7 |
1 |
279 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
5745 |
59.3 |
-3.4 |
0.803 |
1 |
0 |
0 |
0.054 |
| 36 |
42 |
|
B |
9 |
2 |
6323 |
◊ |
[MPD]D:204 |
-x+1/2,-y+1,z-1/2 |
2_564 |
5 |
1 |
273 |
54.2 |
-3.3 |
0.000 |
1 |
0 |
0 |
0.000 |
| 37 |
43 |
|
[MPD]C:204 |
6 |
1 |
277 |
◊ |
C |
-x+1,-y+3/2,z |
6_665 |
8 |
4 |
5708 |
53.8 |
-3.0 |
0.759 |
1 |
0 |
0 |
0.075 |
| 38 |
44 |
|
[MPD]C:201 |
5 |
1 |
278 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
6271 |
52.2 |
-3.1 |
0.755 |
0 |
0 |
0 |
0.000 |
| 39 |
45 |
|
[MPD]B:202 |
3 |
1 |
278 |
◊ |
A |
-x+3/2,y,-z+1 |
7_656 |
5 |
2 |
6271 |
50.6 |
-2.3 |
0.847 |
0 |
0 |
0 |
0.000 |
| 40 |
46 |
|
[MPD]D:201 |
6 |
1 |
279 |
◊ |
D |
-x,-y+3/2,z |
6_565 |
8 |
4 |
5745 |
50.4 |
-2.8 |
0.764 |
0 |
0 |
0 |
0.039 |
| 41 |
47 |
|
D |
4 |
2 |
5745 |
◊ |
A |
-x+1,-y+3/2,z |
6_665 |
6 |
2 |
6271 |
49.2 |
0.9 |
0.865 |
2 |
0 |
0 |
0.000 |
48 |
|
C |
4 |
2 |
5708 |
◊ |
B |
x-1/2,y+1/2,z+1/2 |
5_455 |
5 |
2 |
6323 |
44.3 |
1.0 |
0.874 |
1 |
0 |
0 |
0.000 |
| Average: |
46.8 |
1.0 |
0.870 |
2 |
0 |
0 |
0.000 |
| 42 |
49 |
|
B |
11 |
2 |
6323 |
◊ |
A |
-x+1,-y+3/2,z |
6_665 |
5 |
1 |
6271 |
48.6 |
-1.5 |
0.311 |
0 |
0 |
0 |
0.000 |
50 |
|
B |
4 |
1 |
6323 |
◊ |
A |
-x+1,-y+1/2,z |
6_655 |
11 |
2 |
6271 |
46.8 |
-1.5 |
0.288 |
0 |
0 |
0 |
0.000 |
| Average: |
47.7 |
-1.5 |
0.300 |
0 |
0 |
0 |
0.000 |
| 43 |
51 |
|
D |
5 |
3 |
5745 |
◊ |
C |
-x,-y+3/2,z |
6_565 |
4 |
4 |
5708 |
45.4 |
-0.5 |
0.548 |
0 |
0 |
0 |
0.000 |
52 |
|
D |
4 |
4 |
5745 |
◊ |
C |
-x+1,-y+3/2,z |
6_665 |
4 |
3 |
5708 |
34.8 |
-0.7 |
0.390 |
0 |
0 |
0 |
0.000 |
| Average: |
40.1 |
-0.6 |
0.469 |
0 |
0 |
0 |
0.000 |
| 44 |
53 |
|
[CL]A:202 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
5745 |
44.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.113 |
54 |
|
A |
10 |
3 |
6271 |
f |
[CL]D:205 |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
125 |
43.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.113 |
| Average: |
44.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.113 |
| 45 |
55 |
|
[MPD]B:202 |
5 |
1 |
278 |
◊ |
[MPD]B:202 |
-x+3/2,y,-z+1 |
7_656 |
5 |
1 |
278 |
44.2 |
-4.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 46 |
56 |
|
[MPD]D:203 |
3 |
1 |
281 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
5708 |
43.1 |
-2.9 |
0.630 |
0 |
0 |
0 |
0.032 |
| 47 |
57 |
|
[MPD]D:201 |
5 |
1 |
279 |
◊ |
A |
x-1/2,y+1/2,z+1/2 |
5_455 |
4 |
2 |
6271 |
42.1 |
-2.7 |
0.459 |
0 |
0 |
0 |
0.029 |
| 48 |
58 |
|
[MPD]C:203 |
3 |
1 |
277 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
5708 |
41.4 |
-1.9 |
0.826 |
0 |
0 |
0 |
0.000 |
| 49 |
59 |
|
[MPD]C:204 |
4 |
1 |
277 |
◊ |
B |
-x+1,-y+3/2,z |
6_665 |
4 |
2 |
6323 |
41.2 |
-2.7 |
0.466 |
0 |
0 |
0 |
0.029 |
| 50 |
60 |
|
[CL]D:205 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
5745 |
37.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
|
[CL]A:202 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
6271 |
35.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
36.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 51 |
62 |
|
[MPD]A:201 |
3 |
1 |
275 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
5745 |
36.7 |
-1.6 |
0.867 |
1 |
0 |
0 |
0.000 |
| 52 |
63 |
|
[MPD]B:201 |
5 |
1 |
278 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
6323 |
35.7 |
-1.7 |
0.000 |
1 |
0 |
0 |
0.000 |
| 53 |
64 |
|
A |
5 |
1 |
6271 |
◊ |
[MPD]D:202 |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
1 |
279 |
31.0 |
-1.2 |
0.000 |
2 |
0 |
0 |
0.000 |
| 54 |
65 |
|
[MPD]D:201 |
2 |
1 |
279 |
◊ |
[MPD]D:201 |
-x,-y+3/2,z |
6_565 |
2 |
1 |
279 |
23.7 |
-2.3 |
0.939 |
0 |
0 |
0 |
0.016 |
| 55 |
66 |
|
[CL]A:202 |
1 |
1 |
125 |
◊ |
[MPD]A:201 |
x,y,z |
1_555 |
4 |
1 |
275 |
22.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 56 |
67 |
|
[CL]D:205 |
1 |
1 |
125 |
◊ |
[MPD]D:202 |
x,y,z |
1_555 |
2 |
1 |
279 |
22.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 57 |
68 |
|
A |
3 |
1 |
6271 |
◊ |
[MPD]D:201 |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
1 |
279 |
17.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 58 |
69 |
|
[MPD]C:204 |
3 |
1 |
277 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6323 |
16.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 59 |
70 |
|
[MPD]C:204 |
4 |
1 |
277 |
◊ |
[MPD]C:204 |
-x+1,-y+3/2,z |
6_665 |
4 |
1 |
277 |
16.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.018 |
| 60 |
71 |
|
[MPD]C:202 |
3 |
1 |
279 |
◊ |
A |
-x+1,-y+3/2,z |
6_665 |
2 |
1 |
6271 |
14.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 61 |
72 |
|
A |
4 |
3 |
6271 |
◊ |
A |
-x+3/2,y,-z+1 |
7_656 |
4 |
3 |
6271 |
10.3 |
0.2 |
0.755 |
0 |
0 |
0 |
0.000 |
| 62 |
73 |
|
B |
2 |
2 |
6323 |
◊ |
B |
-x+3/2,y,-z+1 |
7_656 |
2 |
2 |
6323 |
10.3 |
0.3 |
0.794 |
0 |
0 |
0 |
0.000 |
| 63 |
74 |
|
[CL]D:205 |
1 |
1 |
125 |
◊ |
[MPD]D:204 |
x,y,z |
1_555 |
1 |
1 |
273 |
10.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 64 |
75 |
|
[CL]A:202 |
1 |
1 |
125 |
f |
[MPD]C:201 |
x,y,z |
1_555 |
1 |
1 |
278 |
9.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.020 |
| 65 |
76 |
|
A |
1 |
1 |
6271 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
5708 |
3.4 |
0.1 |
0.831 |
0 |
0 |
0 |
0.000 |
77 |
|
D |
1 |
1 |
5745 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6323 |
1.3 |
0.0 |
0.787 |
0 |
0 |
0 |
0.000 |
| Average: |
2.4 |
0.1 |
0.809 |
0 |
0 |
0 |
0.000 |
| 66 |
78 |
|
[MPD]B:202 |
1 |
1 |
278 |
◊ |
B |
-x+3/2,y,-z+1 |
7_656 |
1 |
1 |
6323 |
3.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 67 |
79 |
|
B |
1 |
1 |
6323 |
◊ |
B |
-x+1,-y+1/2,z |
6_655 |
1 |
1 |
6323 |
2.6 |
-0.1 |
0.482 |
0 |
0 |
0 |
0.000 |
80 |
|
A |
1 |
1 |
6271 |
◊ |
A |
-x+1,-y+3/2,z |
6_665 |
1 |
1 |
6271 |
2.2 |
-0.1 |
0.503 |
0 |
0 |
0 |
0.000 |
| Average: |
2.4 |
-0.1 |
0.493 |
0 |
0 |
0 |
0.001 |
| 68 |
81 |
|
D |
1 |
1 |
5745 |
◊ |
D |
-x-1/2,y,-z+2 |
7_457 |
1 |
1 |
5745 |
1.3 |
-0.0 |
0.563 |
0 |
0 |
0 |
0.000 |
|