| ## |
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 |
|
C |
580 |
148 |
23198 |
◊ |
A |
x,y,z |
1_555 |
573 |
149 |
23320 |
5684.9 |
-61.9 |
0.063 |
82 |
58 |
0 |
0.694 |
2 |
|
D |
568 |
148 |
23152 |
◊ |
B |
x,y,z |
1_555 |
577 |
151 |
23147 |
5676.1 |
-63.1 |
0.052 |
85 |
52 |
0 |
0.694 |
| Average: |
5680.5 |
-62.5 |
0.057 |
84 |
55 |
0 |
0.694 |
| 2 |
3 |
|
A |
31 |
9 |
23320 |
◊ |
B |
x-1,y-1,z |
1_445 |
30 |
9 |
23147 |
305.1 |
-0.7 |
0.677 |
4 |
4 |
0 |
0.000 |
| 3 |
4 |
|
A |
27 |
7 |
23320 |
◊ |
D |
x,y,z-1 |
1_554 |
32 |
10 |
23152 |
260.1 |
-1.4 |
0.591 |
5 |
3 |
0 |
0.000 |
| 4 |
5 |
|
A |
26 |
10 |
23320 |
◊ |
D |
x-1,y,z |
1_455 |
27 |
10 |
23152 |
257.3 |
-2.6 |
0.336 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
D |
21 |
9 |
23152 |
◊ |
B |
x-1,y,z |
1_455 |
21 |
6 |
23147 |
216.6 |
-1.0 |
0.582 |
3 |
0 |
0 |
0.000 |
| 6 |
7 |
|
C |
22 |
9 |
23198 |
x |
C |
x,y-1,z |
1_545 |
23 |
6 |
23198 |
210.5 |
-2.1 |
0.442 |
0 |
1 |
0 |
0.000 |
| 7 |
8 |
|
A |
16 |
5 |
23320 |
◊ |
D |
x-1,y-1,z-1 |
1_444 |
19 |
8 |
23152 |
176.3 |
-0.9 |
0.482 |
1 |
2 |
0 |
0.000 |
| 8 |
9 |
|
C |
25 |
10 |
23198 |
◊ |
D |
x,y,z-1 |
1_554 |
17 |
6 |
23152 |
137.6 |
1.4 |
0.848 |
1 |
0 |
0 |
0.000 |
| 9 |
10 |
|
A |
12 |
4 |
23320 |
◊ |
B |
x-1,y,z-1 |
1_454 |
12 |
4 |
23147 |
124.8 |
0.0 |
0.688 |
2 |
0 |
0 |
0.000 |
| 10 |
11 |
|
C |
13 |
5 |
23198 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
23147 |
115.4 |
-0.9 |
0.351 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
D |
13 |
8 |
23152 |
◊ |
B |
x,y-1,z |
1_545 |
13 |
7 |
23147 |
107.4 |
2.6 |
0.931 |
2 |
3 |
0 |
0.000 |
| 12 |
13 |
|
[EDO]C:601 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
23198 |
86.7 |
1.9 |
0.337 |
0 |
0 |
0 |
0.000 |
| 13 |
14 |
|
D |
9 |
6 |
23152 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
23320 |
85.1 |
-0.9 |
0.391 |
0 |
0 |
0 |
0.000 |
| 14 |
15 |
|
C |
9 |
4 |
23198 |
◊ |
B |
x-1,y,z-1 |
1_454 |
10 |
4 |
23147 |
82.1 |
-0.4 |
0.478 |
0 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[CL]B:601 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
23147 |
69.5 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.064 |
| 16 |
17 |
|
[CL]D:601 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
23152 |
64.3 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.069 |
18 |
|
[CL]C:602 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
23198 |
62.6 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.069 |
| Average: |
63.4 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.069 |
| 17 |
19 |
|
[CL]A:603 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
23320 |
64.0 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.054 |
| 18 |
20 |
|
C |
12 |
4 |
23198 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
1 |
23147 |
64.0 |
0.4 |
0.759 |
0 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[CL]B:603 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
23147 |
62.0 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.090 |
22 |
|
[CL]C:607 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
23198 |
60.7 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.090 |
23 |
|
[CL]A:602 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
23320 |
60.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.090 |
| Average: |
61.1 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.090 |
| 20 |
24 |
|
A |
8 |
2 |
23320 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
2 |
23147 |
58.5 |
-0.4 |
0.441 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[CL]C:606 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
23198 |
54.0 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.036 |
| 22 |
26 |
|
[CL]C:609 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
23198 |
48.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.060 |
27 |
|
[CL]C:609 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
23320 |
47.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.060 |
| Average: |
48.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.060 |
| 23 |
28 |
|
[CL]C:606 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
23147 |
47.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
C |
6 |
2 |
23198 |
◊ |
A |
x,y-1,z |
1_545 |
5 |
2 |
23320 |
47.3 |
-0.7 |
0.359 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
C |
5 |
1 |
23198 |
◊ |
D |
x-1,y-1,z |
1_445 |
5 |
1 |
23152 |
45.4 |
0.0 |
0.659 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
[EDO]C:601 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
23320 |
40.0 |
0.6 |
0.645 |
0 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[CA]C:605 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
23198 |
37.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.046 |
33 |
|
[CA]B:604 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
23147 |
36.8 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.046 |
| Average: |
36.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.046 |
| 28 |
34 |
|
[CA]C:604 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
23320 |
33.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.031 |
| 29 |
35 |
|
[CA]C:604 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
23198 |
32.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.032 |
| 30 |
36 |
|
A |
9 |
4 |
23320 |
◊ |
C |
x,y-1,z |
1_545 |
6 |
3 |
23198 |
31.4 |
-0.2 |
0.515 |
0 |
0 |
0 |
0.000 |
| 31 |
37 |
|
[CA]A:601 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
23320 |
29.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.026 |
| 32 |
38 |
|
[CA]C:603 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
23198 |
29.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.026 |
| 33 |
39 |
|
[CA]C:608 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
23198 |
28.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.031 |
40 |
|
[CA]D:602 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
23152 |
28.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.031 |
| Average: |
28.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.031 |
| 34 |
41 |
|
[CA]B:602 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
23147 |
28.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.028 |
| 35 |
42 |
|
[CA]C:603 |
1 |
1 |
85 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
2 |
23198 |
25.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
|
[CA]C:604 |
1 |
1 |
85 |
◊ |
D |
x,y,z-1 |
1_554 |
2 |
1 |
23152 |
6.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
15.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 36 |
44 |
|
C |
4 |
1 |
23198 |
◊ |
[CL]B:601 |
x-1,y,z-1 |
1_454 |
1 |
1 |
125 |
24.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 37 |
45 |
|
[CA]A:601 |
1 |
1 |
85 |
◊ |
C |
x,y-1,z |
1_545 |
2 |
2 |
23198 |
13.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 38 |
46 |
|
[CL]B:603 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
23152 |
12.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.013 |
47 |
|
[CL]A:602 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
23198 |
12.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.013 |
48 |
|
[CL]C:607 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
23320 |
12.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
12.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.013 |
| 39 |
49 |
|
[CA]B:602 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
23152 |
12.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.012 |
50 |
|
[CA]A:601 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
23198 |
8.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
10.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.012 |
| 40 |
51 |
|
A |
3 |
1 |
23320 |
◊ |
[CA]B:602 |
x-1,y,z |
1_455 |
1 |
1 |
85 |
11.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 41 |
52 |
|
A |
1 |
1 |
23320 |
◊ |
C |
x-1,y-1,z |
1_445 |
2 |
1 |
23198 |
5.0 |
-0.2 |
0.373 |
0 |
0 |
0 |
0.000 |
| 42 |
53 |
|
D |
1 |
1 |
23152 |
x |
D |
x-1,y,z |
1_455 |
1 |
1 |
23152 |
3.5 |
-0.1 |
0.359 |
0 |
0 |
0 |
0.000 |
| 43 |
54 |
|
B |
1 |
1 |
23147 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
23320 |
1.0 |
0.0 |
0.686 |
0 |
0 |
0 |
0.000 |
| 44 |
55 |
|
C |
1 |
1 |
23198 |
◊ |
[CL]D:601 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
1.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|