## |
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 |
|
D |
181 |
42 |
6921 |
◊ |
C |
x,y,z |
1_555 |
179 |
43 |
6847 |
1748.2 |
-20.7 |
0.330 |
27 |
8 |
0 |
0.461 |
2 |
|
B |
177 |
41 |
6795 |
◊ |
A |
x,y,z |
1_555 |
178 |
43 |
6701 |
1729.8 |
-22.3 |
0.250 |
24 |
4 |
0 |
0.461 |
Average: |
1739.0 |
-21.5 |
0.290 |
26 |
6 |
0 |
0.461 |
2 |
3 |
|
[ROC]A:101 |
36 |
1 |
879 |
f |
A |
x,y,z |
1_555 |
46 |
16 |
6701 |
391.8 |
-1.8 |
0.450 |
8 |
0 |
0 |
0.088 |
4 |
|
[ROC]D:100 |
35 |
1 |
886 |
f |
D |
x,y,z |
1_555 |
45 |
16 |
6921 |
385.8 |
-2.0 |
0.443 |
10 |
0 |
0 |
0.088 |
Average: |
388.8 |
-1.9 |
0.447 |
9 |
0 |
0 |
0.088 |
3 |
5 |
|
[ROC]D:100 |
34 |
1 |
886 |
◊ |
C |
x,y,z |
1_555 |
47 |
17 |
6847 |
388.7 |
-4.2 |
0.291 |
2 |
0 |
0 |
0.074 |
6 |
|
[ROC]A:101 |
35 |
1 |
879 |
◊ |
B |
x,y,z |
1_555 |
44 |
16 |
6795 |
372.4 |
-5.3 |
0.217 |
1 |
0 |
0 |
0.074 |
Average: |
380.5 |
-4.7 |
0.254 |
2 |
0 |
0 |
0.074 |
4 |
7 |
|
A |
46 |
13 |
6701 |
◊ |
B |
x-1,y,z |
1_455 |
43 |
12 |
6795 |
376.4 |
-5.7 |
0.361 |
1 |
0 |
0 |
0.014 |
8 |
|
C |
42 |
13 |
6847 |
◊ |
D |
x-1,y,z |
1_455 |
40 |
12 |
6921 |
372.1 |
-6.0 |
0.320 |
0 |
0 |
0 |
0.014 |
Average: |
374.2 |
-5.9 |
0.341 |
1 |
0 |
0 |
0.014 |
5 |
9 |
|
D |
31 |
8 |
6921 |
◊ |
B |
x,y,z |
1_555 |
33 |
8 |
6795 |
290.0 |
-4.7 |
0.294 |
2 |
0 |
0 |
0.003 |
6 |
10 |
|
D |
30 |
7 |
6921 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
33 |
9 |
6847 |
283.8 |
-3.2 |
0.509 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
B |
30 |
8 |
6795 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
32 |
7 |
6701 |
281.2 |
-4.2 |
0.382 |
1 |
0 |
0 |
0.000 |
8 |
12 |
|
A |
23 |
6 |
6701 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
10 |
6795 |
236.4 |
-2.4 |
0.543 |
2 |
0 |
0 |
0.000 |
9 |
13 |
|
C |
26 |
7 |
6847 |
◊ |
B |
x-1,y,z-1 |
1_454 |
23 |
9 |
6795 |
215.4 |
-3.3 |
0.412 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
C |
28 |
7 |
6847 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
23 |
5 |
6921 |
199.2 |
-1.2 |
0.611 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
C |
17 |
6 |
6847 |
◊ |
A |
x,y,z-1 |
1_554 |
15 |
5 |
6701 |
146.2 |
-3.8 |
0.173 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
D |
17 |
4 |
6921 |
◊ |
B |
x,y,z-1 |
1_554 |
15 |
2 |
6795 |
135.1 |
-2.1 |
0.428 |
1 |
0 |
0 |
0.000 |
13 |
17 |
|
B |
13 |
3 |
6795 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
6 |
6921 |
133.7 |
-0.2 |
0.684 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
C |
15 |
3 |
6847 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
6701 |
126.9 |
-2.6 |
0.353 |
0 |
0 |
0 |
0.002 |
15 |
19 |
|
C |
10 |
4 |
6847 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
4 |
6795 |
110.1 |
-1.2 |
0.508 |
1 |
1 |
0 |
0.000 |
16 |
20 |
|
[DMS]C:102 |
4 |
1 |
207 |
◊ |
D |
x-1,y,z |
1_455 |
20 |
7 |
6921 |
106.6 |
3.6 |
0.724 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
[DMS]A:103 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
6701 |
97.6 |
1.0 |
0.385 |
2 |
0 |
0 |
0.000 |
18 |
22 |
|
[DMS]C:103 |
4 |
1 |
207 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
6847 |
95.5 |
0.9 |
0.394 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
[DMS]A:104 |
4 |
1 |
208 |
f |
B |
x-1,y,z |
1_455 |
18 |
7 |
6795 |
94.3 |
1.1 |
0.398 |
1 |
0 |
0 |
0.000 |
20 |
24 |
|
[NA]C:100 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
6847 |
70.8 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.148 |
21 |
25 |
|
C |
5 |
1 |
6847 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
6795 |
65.7 |
-1.7 |
0.222 |
0 |
0 |
0 |
0.001 |
22 |
26 |
|
B |
6 |
2 |
6795 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
6795 |
64.5 |
-0.7 |
0.498 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
[ARF]B:1 |
3 |
1 |
160 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
5 |
6921 |
62.6 |
0.3 |
0.633 |
3 |
0 |
0 |
0.000 |
24 |
28 |
|
[ARF]A:1 |
3 |
1 |
160 |
cf |
A |
x,y,z |
1_555 |
7 |
3 |
6701 |
62.0 |
-0.4 |
0.406 |
0 |
0 |
0 |
0.005 |
25 |
29 |
|
[ARF]B:1 |
3 |
1 |
160 |
cf |
B |
x,y,z |
1_555 |
7 |
2 |
6795 |
54.1 |
-0.3 |
0.410 |
1 |
0 |
0 |
0.010 |
26 |
30 |
|
B |
7 |
4 |
6795 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
2 |
6847 |
52.3 |
0.4 |
0.749 |
1 |
0 |
0 |
0.000 |
27 |
31 |
|
D |
8 |
5 |
6921 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
6 |
3 |
6921 |
50.7 |
-1.1 |
0.395 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
[DMS]C:103 |
2 |
1 |
207 |
◊ |
D |
x-1,y,z |
1_455 |
9 |
4 |
6921 |
50.4 |
1.5 |
0.659 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
[CL]C:101 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
6847 |
49.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.153 |
34 |
|
[CL]A:102 |
1 |
1 |
125 |
f |
B |
x-1,y,z |
1_455 |
8 |
3 |
6795 |
45.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.153 |
35 |
|
D |
11 |
5 |
6921 |
f |
[CL]B:102 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
45.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.153 |
Average: |
46.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.153 |
30 |
36 |
|
[CL]B:104 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
6795 |
49.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.071 |
31 |
37 |
|
[CL]B:103 |
1 |
1 |
125 |
f |
A |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
6701 |
47.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.069 |
32 |
38 |
|
A |
5 |
3 |
6701 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
7 |
4 |
6701 |
46.1 |
-0.4 |
0.586 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[CL]B:105 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
6795 |
45.1 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.074 |
34 |
40 |
|
[NA]B:101 |
1 |
1 |
125 |
f |
C |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
2 |
6847 |
42.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.059 |
35 |
41 |
|
[CL]B:106 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
6795 |
42.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.068 |
36 |
42 |
|
A |
7 |
1 |
6701 |
◊ |
[ROC]A:101 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
879 |
41.4 |
0.9 |
0.643 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
[ROC]D:100 |
2 |
1 |
886 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
6 |
1 |
6921 |
41.1 |
0.8 |
0.586 |
0 |
0 |
0 |
0.000 |
38 |
44 |
|
[DMS]A:104 |
2 |
1 |
208 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
6701 |
41.0 |
0.8 |
0.573 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
[CL]B:104 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6701 |
40.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.061 |
40 |
46 |
|
[ARF]A:1 |
3 |
1 |
160 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
6795 |
40.2 |
0.3 |
0.536 |
1 |
0 |
0 |
0.001 |
41 |
47 |
|
A |
7 |
3 |
6701 |
◊ |
[CL]B:103 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
40.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
48 |
|
[DMS]A:104 |
2 |
1 |
208 |
◊ |
[DMS]A:103 |
x,y,z |
1_555 |
2 |
1 |
207 |
39.9 |
2.6 |
0.750 |
0 |
0 |
0 |
0.000 |
43 |
49 |
|
[DMS]A:103 |
2 |
1 |
207 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
4 |
6795 |
37.9 |
0.9 |
0.598 |
0 |
0 |
0 |
0.000 |
44 |
50 |
|
[DMS]C:103 |
2 |
1 |
207 |
f |
[DMS]C:102 |
x,y,z |
1_555 |
4 |
1 |
207 |
37.5 |
0.3 |
0.320 |
0 |
0 |
0 |
0.000 |
45 |
51 |
|
[CL]C:101 |
1 |
1 |
125 |
◊ |
D |
x-1,y,z |
1_455 |
7 |
3 |
6921 |
35.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.020 |
52 |
|
C |
5 |
2 |
6847 |
◊ |
[CL]B:102 |
x-1,y,z-1 |
1_454 |
1 |
1 |
125 |
32.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.020 |
53 |
|
[CL]A:102 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
6701 |
31.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
33.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.020 |
46 |
54 |
|
A |
3 |
2 |
6701 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
2 |
6701 |
35.3 |
-1.1 |
0.211 |
0 |
0 |
0 |
0.000 |
47 |
55 |
|
[NA]B:101 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6795 |
34.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
56 |
|
D |
3 |
2 |
6921 |
x |
D |
-x,y-1/2,-z |
2_545 |
3 |
1 |
6921 |
33.1 |
-1.0 |
0.243 |
0 |
0 |
0 |
0.000 |
49 |
57 |
|
[CL]B:102 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6795 |
31.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
58 |
|
[DMS]C:102 |
3 |
1 |
207 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
6847 |
28.8 |
-0.4 |
0.327 |
0 |
0 |
0 |
0.005 |
51 |
59 |
|
[CL]B:103 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6795 |
25.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
60 |
|
[ARF]A:1 |
2 |
1 |
160 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
3 |
6795 |
23.6 |
0.4 |
0.673 |
0 |
0 |
0 |
0.000 |
53 |
61 |
|
[NA]B:101 |
1 |
1 |
125 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
6921 |
21.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.026 |
54 |
62 |
|
A |
4 |
1 |
6701 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
6847 |
20.9 |
-0.3 |
0.437 |
0 |
0 |
0 |
0.000 |
55 |
63 |
|
[ARF]A:1 |
3 |
1 |
160 |
◊ |
[CL]B:106 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
125 |
19.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
56 |
64 |
|
[ARF]B:1 |
3 |
1 |
160 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
6701 |
17.5 |
0.1 |
0.446 |
0 |
0 |
0 |
0.000 |
57 |
65 |
|
C |
2 |
1 |
6847 |
x |
C |
-x,y-1/2,-z |
2_545 |
1 |
1 |
6847 |
17.4 |
-0.6 |
0.242 |
0 |
0 |
0 |
0.000 |
58 |
66 |
|
A |
3 |
1 |
6701 |
◊ |
[CL]B:106 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
125 |
13.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
67 |
|
A |
1 |
1 |
6701 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
6921 |
10.7 |
0.0 |
0.465 |
0 |
0 |
0 |
0.000 |
60 |
68 |
|
[ARF]B:1 |
1 |
1 |
160 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
6795 |
8.3 |
-0.1 |
0.355 |
0 |
0 |
0 |
0.000 |
61 |
69 |
|
C |
1 |
1 |
6847 |
◊ |
[NA]B:101 |
x-1,y,z-1 |
1_454 |
1 |
1 |
125 |
5.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
62 |
70 |
|
D |
1 |
1 |
6921 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
6701 |
1.3 |
-0.0 |
0.610 |
0 |
0 |
0 |
0.000 |
|