| ## |
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 |
91 |
23 |
7177 |
◊ |
C |
x,y,z |
1_555 |
93 |
25 |
7375 |
846.3 |
-6.4 |
0.436 |
3 |
0 |
0 |
0.000 |
| 2 |
2 |
|
A |
44 |
12 |
7238 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
50 |
12 |
7238 |
419.5 |
-2.0 |
0.532 |
4 |
1 |
0 |
0.000 |
| 3 |
3 |
|
A |
53 |
14 |
7238 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
47 |
15 |
7177 |
408.1 |
-1.7 |
0.621 |
5 |
0 |
0 |
0.000 |
| 4 |
4 |
|
B |
41 |
12 |
7171 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
44 |
12 |
7375 |
403.6 |
-1.7 |
0.614 |
3 |
1 |
0 |
0.000 |
| 5 |
5 |
|
C |
47 |
15 |
7375 |
◊ |
B |
x,y,z |
1_555 |
44 |
12 |
7171 |
381.8 |
-3.2 |
0.474 |
1 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[OSF]D:129 |
13 |
1 |
411 |
f |
D |
x,y,z |
1_555 |
45 |
18 |
7177 |
255.2 |
4.9 |
0.431 |
0 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[OSF]C:128 |
13 |
1 |
410 |
f |
C |
x,y,z |
1_555 |
50 |
18 |
7375 |
247.7 |
4.6 |
0.421 |
0 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[OSF]B:127 |
13 |
1 |
411 |
f |
B |
x,y,z |
1_555 |
48 |
17 |
7171 |
244.8 |
4.5 |
0.413 |
0 |
0 |
0 |
0.000 |
| 9 |
9 |
|
C |
23 |
6 |
7375 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
7238 |
195.2 |
-2.0 |
0.413 |
2 |
4 |
0 |
0.000 |
| 10 |
10 |
|
[OSF]D:131 |
11 |
1 |
416 |
◊ |
D |
x,y,z |
1_555 |
34 |
12 |
7177 |
191.6 |
2.6 |
0.146 |
0 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[OSF]D:128 |
13 |
1 |
410 |
◊ |
B |
x,y,z |
1_555 |
28 |
9 |
7171 |
178.2 |
3.8 |
0.260 |
0 |
0 |
0 |
0.000 |
| 12 |
12 |
|
B |
24 |
7 |
7171 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
23 |
6 |
7238 |
178.0 |
-1.2 |
0.540 |
1 |
0 |
0 |
0.000 |
| 13 |
13 |
|
B |
22 |
10 |
7171 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
7238 |
166.3 |
1.0 |
0.769 |
2 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[OSF]C:129 |
10 |
1 |
415 |
◊ |
C |
x,y,z |
1_555 |
34 |
11 |
7375 |
165.1 |
2.5 |
0.166 |
0 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[OSF]A:127 |
13 |
1 |
417 |
◊ |
A |
x,y,z |
1_555 |
22 |
7 |
7238 |
160.4 |
2.5 |
0.122 |
0 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[OSF]C:127 |
12 |
1 |
416 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
7238 |
153.8 |
2.6 |
0.140 |
0 |
0 |
0 |
0.000 |
| 17 |
17 |
|
D |
21 |
7 |
7177 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
7171 |
153.8 |
-1.1 |
0.459 |
4 |
4 |
0 |
0.000 |
| 18 |
18 |
|
[OSF]C:129 |
13 |
1 |
415 |
◊ |
D |
x,y,z |
1_555 |
17 |
6 |
7177 |
151.3 |
3.6 |
0.133 |
0 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[OSF]D:130 |
11 |
1 |
411 |
◊ |
C |
x,y,z |
1_555 |
23 |
5 |
7375 |
151.0 |
2.4 |
0.186 |
0 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[OSF]D:131 |
11 |
1 |
416 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
7375 |
139.0 |
4.5 |
0.207 |
0 |
0 |
0 |
0.000 |
| 21 |
21 |
|
[OSF]C:127 |
10 |
1 |
416 |
f |
C |
x,y,z |
1_555 |
20 |
7 |
7375 |
127.2 |
1.4 |
0.104 |
0 |
0 |
0 |
0.000 |
| 22 |
22 |
|
[OSF]B:126 |
11 |
1 |
413 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
7171 |
125.1 |
0.2 |
0.058 |
0 |
0 |
0 |
0.000 |
| 23 |
23 |
|
[OSF]C:126 |
11 |
1 |
416 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
7171 |
123.9 |
1.8 |
0.134 |
0 |
0 |
0 |
0.000 |
| 24 |
24 |
|
[OSF]C:126 |
11 |
1 |
416 |
◊ |
D |
x,y,z |
1_555 |
15 |
4 |
7177 |
117.7 |
0.9 |
0.078 |
0 |
0 |
0 |
0.000 |
| 25 |
25 |
|
[OSF]B:128 |
12 |
1 |
417 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
7171 |
113.8 |
4.2 |
0.123 |
0 |
0 |
0 |
0.000 |
| 26 |
26 |
|
[OSF]D:128 |
9 |
1 |
410 |
f |
D |
x,y,z |
1_555 |
18 |
5 |
7177 |
113.1 |
0.6 |
0.095 |
0 |
0 |
0 |
0.000 |
| 27 |
27 |
|
[OSF]B:126 |
11 |
1 |
413 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
7375 |
100.8 |
2.2 |
0.146 |
0 |
0 |
0 |
0.000 |
| 28 |
28 |
|
[OSF]B:128 |
10 |
1 |
417 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
7238 |
90.0 |
1.6 |
0.087 |
0 |
0 |
0 |
0.000 |
| 29 |
29 |
|
[OSF]D:130 |
8 |
1 |
411 |
f |
D |
x,y,z |
1_555 |
12 |
3 |
7177 |
88.5 |
-0.2 |
0.070 |
0 |
0 |
0 |
0.002 |
| 30 |
30 |
|
[OSF]C:126 |
6 |
1 |
416 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
7375 |
84.9 |
-0.3 |
0.088 |
0 |
0 |
0 |
0.008 |
| 31 |
31 |
|
[CL]A:126 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
7238 |
79.4 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.044 |
| 32 |
32 |
|
[OSF]D:130 |
12 |
1 |
411 |
◊ |
[OSF]A:127 |
x,y,z |
1_555 |
10 |
1 |
417 |
76.8 |
3.7 |
0.017 |
0 |
0 |
0 |
0.000 |
| 33 |
33 |
|
[OSF]B:126 |
5 |
1 |
413 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
7177 |
73.7 |
1.5 |
0.363 |
0 |
0 |
0 |
0.000 |
| 34 |
34 |
|
A |
9 |
3 |
7238 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
10 |
2 |
7375 |
66.8 |
-0.0 |
0.640 |
1 |
0 |
0 |
0.000 |
| 35 |
35 |
|
D |
7 |
3 |
7177 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
7238 |
52.7 |
0.5 |
0.715 |
0 |
0 |
0 |
0.000 |
| 36 |
36 |
|
B |
7 |
2 |
7171 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
5 |
7177 |
50.9 |
0.5 |
0.763 |
2 |
2 |
0 |
0.000 |
| 37 |
37 |
|
[CL]D:127 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
7375 |
50.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
|
[CL]D:127 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
7177 |
49.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
50.1 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 38 |
39 |
|
[OSF]C:127 |
5 |
1 |
416 |
f |
[OSF]A:127 |
x,y,z |
1_555 |
6 |
1 |
417 |
45.5 |
2.1 |
0.079 |
0 |
0 |
0 |
0.000 |
| 39 |
40 |
|
[NA]D:126 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
7177 |
45.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.050 |
| 40 |
41 |
|
[OSF]A:127 |
4 |
1 |
417 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
7171 |
40.7 |
0.0 |
0.160 |
0 |
0 |
0 |
0.000 |
| 41 |
42 |
|
[OSF]A:127 |
9 |
1 |
417 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
7375 |
40.6 |
0.3 |
0.050 |
0 |
0 |
0 |
0.000 |
| 42 |
43 |
|
[OSF]D:130 |
3 |
1 |
411 |
◊ |
[OSF]C:127 |
x,y,z |
1_555 |
6 |
1 |
416 |
40.5 |
2.7 |
0.183 |
0 |
0 |
0 |
0.000 |
| 43 |
44 |
|
[OSF]C:128 |
7 |
1 |
410 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
7177 |
39.9 |
0.2 |
0.038 |
0 |
0 |
0 |
0.000 |
| 44 |
45 |
|
[NA]D:126 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
7375 |
39.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 45 |
46 |
|
[OSF]D:128 |
3 |
1 |
410 |
◊ |
[OSF]B:127 |
x,y,z |
1_555 |
9 |
1 |
411 |
38.4 |
2.4 |
0.082 |
0 |
0 |
0 |
0.000 |
| 46 |
47 |
|
[OSF]B:128 |
4 |
1 |
417 |
f |
[OSF]A:127 |
x,y,z |
1_555 |
5 |
1 |
417 |
37.4 |
-0.3 |
0.024 |
0 |
0 |
0 |
0.007 |
| 47 |
48 |
|
[CA]A:125 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
7238 |
36.0 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.226 |
49 |
|
[CA]C:125 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
7375 |
34.5 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.226 |
50 |
|
[CA]D:125 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
7177 |
34.3 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.226 |
51 |
|
[CA]B:125 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
7171 |
33.2 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.226 |
| Average: |
34.5 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.226 |
| 48 |
52 |
|
[OSF]C:129 |
4 |
1 |
415 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
7238 |
34.9 |
1.3 |
0.322 |
0 |
0 |
0 |
0.000 |
| 49 |
53 |
|
[OSF]D:129 |
6 |
1 |
411 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
7375 |
31.5 |
0.2 |
0.070 |
0 |
0 |
0 |
0.000 |
| 50 |
54 |
|
[OSF]B:128 |
3 |
1 |
417 |
◊ |
[OSF]B:126 |
x,y,z |
1_555 |
3 |
1 |
413 |
29.3 |
0.1 |
0.071 |
0 |
0 |
0 |
0.000 |
| 51 |
55 |
|
[OSF]D:131 |
1 |
1 |
416 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
7171 |
28.4 |
2.0 |
0.908 |
0 |
0 |
0 |
0.000 |
| 52 |
56 |
|
[OSF]D:130 |
6 |
1 |
411 |
◊ |
[OSF]C:128 |
x,y,z |
1_555 |
2 |
1 |
410 |
26.6 |
1.8 |
0.136 |
0 |
0 |
0 |
0.000 |
| 53 |
57 |
|
[OSF]C:126 |
3 |
1 |
416 |
◊ |
[OSF]B:127 |
x,y,z |
1_555 |
2 |
1 |
411 |
24.7 |
1.6 |
0.291 |
0 |
0 |
0 |
0.000 |
| 54 |
58 |
|
[OSF]A:127 |
4 |
1 |
417 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
7177 |
23.7 |
0.3 |
0.174 |
0 |
0 |
0 |
0.000 |
| 55 |
59 |
|
[OSF]D:128 |
4 |
1 |
410 |
◊ |
[OSF]C:126 |
x,y,z |
1_555 |
6 |
1 |
416 |
23.3 |
1.4 |
0.063 |
0 |
0 |
0 |
0.000 |
| 56 |
60 |
|
[OSF]D:129 |
3 |
1 |
411 |
f |
[CA]D:125 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.079 |
61 |
|
[OSF]B:127 |
3 |
1 |
411 |
f |
[CA]B:125 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.079 |
62 |
|
[OSF]C:128 |
3 |
1 |
410 |
f |
[CA]C:125 |
x,y,z |
1_555 |
1 |
1 |
85 |
19.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.079 |
| Average: |
20.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.079 |
| 57 |
63 |
|
[OSF]D:129 |
2 |
1 |
411 |
f |
[OSF]D:128 |
x,y,z |
1_555 |
4 |
1 |
410 |
19.2 |
0.9 |
0.128 |
0 |
0 |
0 |
0.000 |
| 58 |
64 |
|
[OSF]C:128 |
2 |
1 |
410 |
f |
[OSF]C:127 |
x,y,z |
1_555 |
4 |
1 |
416 |
19.1 |
0.9 |
0.133 |
0 |
0 |
0 |
0.000 |
| 59 |
65 |
|
[CL]A:126 |
1 |
1 |
125 |
f |
[CA]A:125 |
x,y,z |
1_555 |
1 |
1 |
85 |
18.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.020 |
| 60 |
66 |
|
[OSF]C:126 |
6 |
1 |
416 |
◊ |
[OSF]B:126 |
x,y,z |
1_555 |
5 |
1 |
413 |
18.7 |
1.2 |
0.048 |
0 |
0 |
0 |
0.000 |
| 61 |
67 |
|
B |
3 |
1 |
7171 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
7238 |
14.1 |
0.5 |
0.825 |
0 |
0 |
0 |
0.000 |
| 62 |
68 |
|
[OSF]D:129 |
2 |
1 |
411 |
◊ |
[OSF]C:126 |
x,y,z |
1_555 |
4 |
1 |
416 |
14.0 |
0.9 |
0.122 |
0 |
0 |
0 |
0.000 |
| 63 |
69 |
|
[OSF]B:127 |
2 |
1 |
411 |
◊ |
[OSF]B:126 |
x,y,z |
1_555 |
1 |
1 |
413 |
13.0 |
0.6 |
0.225 |
0 |
0 |
0 |
0.000 |
| 64 |
70 |
|
[OSF]B:128 |
3 |
1 |
417 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
7375 |
11.0 |
-0.1 |
0.138 |
0 |
0 |
0 |
0.002 |
| 65 |
71 |
|
[OSF]B:128 |
4 |
1 |
417 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
7177 |
10.9 |
0.2 |
0.164 |
0 |
0 |
0 |
0.000 |
| 66 |
72 |
|
[NA]D:126 |
1 |
1 |
125 |
f |
[OSF]B:126 |
x,y,z |
1_555 |
2 |
1 |
413 |
6.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
| 67 |
73 |
|
D |
1 |
1 |
7177 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
7375 |
6.1 |
0.1 |
0.721 |
0 |
0 |
0 |
0.000 |
| 68 |
74 |
|
[OSF]D:130 |
2 |
1 |
411 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
7238 |
6.0 |
-0.2 |
0.228 |
0 |
0 |
0 |
0.000 |
| 69 |
75 |
|
[NA]D:126 |
1 |
1 |
125 |
f |
[OSF]D:130 |
x,y,z |
1_555 |
1 |
1 |
411 |
5.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.003 |
| 70 |
76 |
|
[OSF]D:130 |
1 |
1 |
411 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
7171 |
2.2 |
0.0 |
0.297 |
0 |
0 |
0 |
0.000 |
|