## |
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 |
98 |
12 |
3033 |
◊ |
A |
x,y,z |
1_555 |
95 |
12 |
3049 |
868.3 |
14.1 |
0.975 |
19 |
0 |
0 |
0.000 |
2 |
|
D |
101 |
12 |
3037 |
◊ |
C |
x,y,z |
1_555 |
98 |
12 |
3075 |
858.3 |
13.9 |
0.976 |
20 |
0 |
0 |
0.000 |
Average: |
863.3 |
14.0 |
0.975 |
20 |
0 |
0 |
0.000 |
2 |
3 |
|
F |
96 |
12 |
3040 |
◊ |
E |
x,y,z |
1_555 |
103 |
12 |
3038 |
855.3 |
18.1 |
0.984 |
20 |
0 |
0 |
0.000 |
3 |
4 |
|
A |
15 |
2 |
3049 |
◊ |
D |
x-y-1,-y,-z |
8_455 |
20 |
2 |
3037 |
133.7 |
3.3 |
0.818 |
0 |
0 |
0 |
0.000 |
5 |
|
B |
20 |
2 |
3033 |
◊ |
C |
x-y-1,-y,-z |
8_455 |
14 |
2 |
3075 |
133.3 |
2.3 |
0.773 |
0 |
0 |
0 |
0.000 |
Average: |
133.5 |
2.8 |
0.796 |
0 |
0 |
0 |
0.000 |
4 |
6 |
|
E |
16 |
4 |
3038 |
◊ |
C |
x-1,y,z |
1_455 |
18 |
3 |
3075 |
128.6 |
-4.0 |
0.370 |
4 |
0 |
0 |
0.199 |
7 |
|
F |
14 |
4 |
3040 |
◊ |
A |
x,y,z |
1_555 |
19 |
3 |
3049 |
128.2 |
-3.5 |
0.386 |
3 |
0 |
0 |
0.199 |
Average: |
128.4 |
-3.7 |
0.378 |
4 |
0 |
0 |
0.199 |
5 |
8 |
|
E |
12 |
1 |
3038 |
◊ |
D |
x,y,z |
1_555 |
12 |
1 |
3037 |
84.3 |
-0.7 |
0.539 |
0 |
0 |
0 |
0.000 |
9 |
|
F |
11 |
1 |
3040 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
1 |
3033 |
82.9 |
-0.8 |
0.529 |
0 |
0 |
0 |
0.000 |
Average: |
83.6 |
-0.8 |
0.534 |
0 |
0 |
0 |
0.000 |
6 |
10 |
|
D |
11 |
3 |
3037 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
3033 |
80.5 |
-4.0 |
0.313 |
0 |
0 |
0 |
0.000 |
7 |
11 |
|
D |
9 |
3 |
3037 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
3049 |
77.1 |
-3.3 |
0.291 |
4 |
0 |
0 |
0.000 |
12 |
|
C |
8 |
3 |
3075 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
3033 |
76.3 |
-3.4 |
0.298 |
4 |
0 |
0 |
0.000 |
Average: |
76.7 |
-3.3 |
0.294 |
4 |
0 |
0 |
0.000 |
8 |
13 |
|
F |
9 |
4 |
3040 |
◊ |
F |
-y-1,-x-1,-z+1/6 |
10_445 |
9 |
4 |
3040 |
70.6 |
-4.4 |
0.226 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
E |
11 |
1 |
3038 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
1 |
3033 |
68.1 |
3.2 |
0.832 |
0 |
0 |
0 |
0.000 |
15 |
|
F |
12 |
1 |
3040 |
◊ |
D |
x,y,z |
1_555 |
8 |
1 |
3037 |
65.3 |
3.0 |
0.825 |
0 |
0 |
0 |
0.000 |
Average: |
66.7 |
3.1 |
0.828 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
F |
7 |
1 |
3040 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
1 |
3049 |
59.8 |
2.6 |
0.797 |
0 |
0 |
0 |
0.000 |
17 |
|
E |
8 |
1 |
3038 |
◊ |
C |
x,y,z |
1_555 |
11 |
1 |
3075 |
58.2 |
2.6 |
0.797 |
0 |
0 |
0 |
0.000 |
Average: |
59.0 |
2.6 |
0.797 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
E |
5 |
1 |
3038 |
◊ |
D |
x-1,y,z |
1_455 |
8 |
2 |
3037 |
52.0 |
1.0 |
0.659 |
0 |
0 |
0 |
0.000 |
19 |
|
F |
6 |
1 |
3040 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
3033 |
48.2 |
1.1 |
0.673 |
0 |
0 |
0 |
0.000 |
Average: |
50.1 |
1.0 |
0.666 |
0 |
0 |
0 |
0.000 |
12 |
20 |
|
F |
7 |
3 |
3040 |
◊ |
C |
x-1,y,z |
1_455 |
7 |
2 |
3075 |
45.1 |
-1.9 |
0.368 |
0 |
0 |
0 |
0.000 |
13 |
21 |
|
D |
5 |
3 |
3037 |
◊ |
C |
-y,-x,-z+1/6 |
10_555 |
4 |
1 |
3075 |
43.3 |
-1.6 |
0.284 |
1 |
0 |
0 |
0.000 |
14 |
22 |
|
[CO]C:101 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
2 |
3037 |
41.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.297 |
23 |
|
[CO]F:101 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
9 |
2 |
3040 |
40.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.297 |
24 |
|
[CO]A:102 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
3049 |
39.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.297 |
25 |
|
[CO]A:101 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
3033 |
38.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.297 |
26 |
|
[CO]D:101 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
3075 |
29.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.297 |
Average: |
37.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.297 |
15 |
27 |
|
[CO]F:101 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
3038 |
39.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.000 |
16 |
28 |
|
[CO]E:101 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
3038 |
38.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.349 |
29 |
|
[CO]F:102 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
3040 |
38.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.349 |
30 |
|
[CO]E:101 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
1 |
3049 |
31.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.349 |
31 |
|
[CO]F:102 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
3075 |
30.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.349 |
Average: |
34.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.349 |
17 |
32 |
|
[CO]B:101 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
3033 |
38.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.052 |
18 |
33 |
|
[CO]C:101 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
3075 |
38.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
|
[CO]A:102 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
3033 |
34.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
|
[CO]A:101 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
3049 |
33.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
|
[CO]D:101 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
3037 |
32.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
34.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
37 |
|
C |
4 |
2 |
3075 |
◊ |
C |
-y,-x,-z+1/6 |
10_555 |
4 |
2 |
3075 |
36.4 |
-1.5 |
0.368 |
0 |
0 |
0 |
0.000 |
20 |
38 |
|
B |
5 |
1 |
3033 |
◊ |
D |
x-y-1,-y,-z |
8_455 |
5 |
1 |
3037 |
36.3 |
-0.3 |
0.505 |
0 |
0 |
0 |
0.000 |
21 |
39 |
|
E |
6 |
1 |
3038 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
1 |
3049 |
35.6 |
-1.7 |
0.370 |
0 |
0 |
0 |
0.060 |
40 |
|
F |
5 |
1 |
3040 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
3075 |
31.3 |
-1.5 |
0.377 |
0 |
0 |
0 |
0.060 |
Average: |
33.4 |
-1.6 |
0.374 |
0 |
0 |
0 |
0.060 |
22 |
41 |
|
E |
6 |
2 |
3038 |
◊ |
B |
x-y-1,-y-1,-z |
8_445 |
4 |
2 |
3033 |
32.2 |
-0.7 |
0.435 |
0 |
0 |
0 |
0.000 |
23 |
42 |
|
[CO]E:101 |
1 |
1 |
125 |
f |
C |
x-1,y,z |
1_455 |
7 |
3 |
3075 |
31.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.082 |
43 |
|
[CO]F:102 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
3049 |
30.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.082 |
Average: |
30.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.082 |
24 |
44 |
|
E |
5 |
4 |
3038 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
3049 |
27.2 |
-1.9 |
0.315 |
0 |
0 |
0 |
0.000 |
25 |
45 |
|
A |
5 |
1 |
3049 |
◊ |
C |
x-y-1,-y,-z |
8_455 |
5 |
1 |
3075 |
27.0 |
-0.6 |
0.475 |
0 |
0 |
0 |
0.000 |
26 |
46 |
|
F |
4 |
1 |
3040 |
◊ |
[CO]C:101 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
22.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
|
[CO]D:101 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
3033 |
22.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
|
[CO]A:101 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
3038 |
20.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
21.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
49 |
|
A |
6 |
3 |
3049 |
◊ |
A |
x-y,-y,-z |
8_555 |
6 |
3 |
3049 |
20.5 |
-1.2 |
0.437 |
0 |
0 |
0 |
0.000 |
50 |
|
C |
4 |
3 |
3075 |
◊ |
C |
x-y,-y,-z |
8_555 |
4 |
3 |
3075 |
8.5 |
-0.9 |
0.419 |
0 |
0 |
0 |
0.000 |
Average: |
14.5 |
-1.0 |
0.428 |
0 |
0 |
0 |
0.000 |
28 |
51 |
|
[CO]B:101 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
3040 |
20.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
52 |
|
[CO]A:102 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
3037 |
19.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
53 |
|
E |
6 |
2 |
3038 |
◊ |
D |
-y-1,-x,-z+1/6 |
10_455 |
3 |
2 |
3037 |
18.7 |
-1.3 |
0.371 |
0 |
0 |
0 |
0.000 |
31 |
54 |
|
E |
3 |
1 |
3038 |
◊ |
A |
x-y-1,-y-1,-z |
8_445 |
3 |
1 |
3049 |
18.3 |
-0.5 |
0.420 |
0 |
0 |
0 |
0.000 |
32 |
55 |
|
F |
1 |
1 |
3040 |
◊ |
E |
-y-1,-x-1,-z+1/6 |
10_445 |
4 |
2 |
3038 |
15.9 |
-0.9 |
0.265 |
0 |
0 |
0 |
0.000 |
33 |
56 |
|
D |
3 |
3 |
3037 |
◊ |
D |
-y,-x,-z+1/6 |
10_555 |
3 |
3 |
3037 |
15.9 |
-1.7 |
0.312 |
0 |
0 |
0 |
0.000 |
34 |
57 |
|
[CO]B:101 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
3037 |
15.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
58 |
|
[CO]F:102 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
3037 |
15.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
|
[CO]E:101 |
1 |
1 |
125 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
2 |
3033 |
12.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
60 |
|
[CO]E:101 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
3040 |
12.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
|
[CO]F:102 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
3038 |
10.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
12.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
62 |
|
C |
6 |
4 |
3075 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
3049 |
12.0 |
-0.4 |
0.504 |
0 |
0 |
0 |
0.007 |
37 |
63 |
|
[CO]D:101 |
1 |
1 |
125 |
◊ |
C |
-y,-x,-z+1/6 |
10_555 |
1 |
1 |
3075 |
9.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
64 |
|
E |
1 |
1 |
3038 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
3033 |
8.7 |
-1.0 |
0.202 |
0 |
0 |
0 |
0.000 |
65 |
|
F |
1 |
1 |
3040 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
3037 |
1.0 |
-0.1 |
0.258 |
0 |
0 |
0 |
0.000 |
Average: |
4.9 |
-0.5 |
0.230 |
0 |
0 |
0 |
0.000 |
39 |
66 |
|
F |
2 |
1 |
3040 |
◊ |
A |
x-y-1,-y-1,-z |
8_445 |
3 |
1 |
3049 |
6.7 |
-0.5 |
0.332 |
0 |
0 |
0 |
0.000 |
40 |
67 |
|
[CO]F:101 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
3049 |
2.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.006 |
41 |
68 |
|
F |
2 |
1 |
3040 |
◊ |
[CO]F:101 |
x-y-1,-y-1,-z |
8_445 |
1 |
1 |
125 |
2.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
69 |
|
[CO]F:102 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
3033 |
1.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
70 |
|
[CO]E:101 |
1 |
1 |
125 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
3037 |
0.8 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
1.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|