| ## |
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 |
66 |
22 |
13531 |
◊ |
A |
x,y,z |
1_555 |
62 |
21 |
13874 |
611.8 |
-7.1 |
0.226 |
0 |
0 |
0 |
0.000 |
2 |
|
B |
61 |
21 |
13602 |
◊ |
C |
x,y,z-1 |
1_554 |
62 |
21 |
13602 |
584.9 |
-7.5 |
0.174 |
0 |
0 |
0 |
0.000 |
3 |
|
E |
51 |
13 |
12904 |
◊ |
F |
x,y,z-1 |
1_554 |
52 |
15 |
12950 |
454.3 |
-6.4 |
0.245 |
1 |
0 |
0 |
0.000 |
4 |
|
H |
48 |
14 |
12801 |
◊ |
G |
x,y,z |
1_555 |
46 |
13 |
12922 |
415.5 |
-6.9 |
0.217 |
0 |
0 |
0 |
0.000 |
| Average: |
516.6 |
-7.0 |
0.215 |
0 |
0 |
0 |
0.000 |
| 2 |
5 |
|
B |
47 |
16 |
13602 |
x |
B |
x-1,y,z |
1_455 |
55 |
17 |
13602 |
458.3 |
-3.8 |
0.343 |
5 |
2 |
0 |
0.000 |
6 |
|
A |
53 |
17 |
13874 |
x |
A |
x-1,y,z |
1_455 |
48 |
15 |
13874 |
448.4 |
-2.9 |
0.460 |
3 |
2 |
0 |
0.000 |
7 |
|
D |
45 |
14 |
13531 |
x |
D |
x-1,y,z |
1_455 |
44 |
17 |
13531 |
404.6 |
-3.2 |
0.402 |
3 |
2 |
0 |
0.000 |
8 |
|
C |
46 |
16 |
13602 |
x |
C |
x-1,y,z |
1_455 |
44 |
13 |
13602 |
401.8 |
-3.6 |
0.375 |
3 |
2 |
0 |
0.000 |
| Average: |
428.3 |
-3.4 |
0.395 |
4 |
2 |
0 |
0.000 |
| 3 |
9 |
|
H |
49 |
18 |
12801 |
◊ |
B |
x-1,y,z |
1_455 |
44 |
15 |
13602 |
418.1 |
-0.9 |
0.618 |
11 |
0 |
0 |
0.000 |
10 |
|
E |
50 |
18 |
12904 |
◊ |
D |
x,y,z |
1_555 |
43 |
15 |
13531 |
416.8 |
-1.0 |
0.602 |
9 |
0 |
0 |
0.000 |
11 |
|
A |
43 |
15 |
13874 |
◊ |
F |
x-1,y,z |
1_455 |
48 |
17 |
12950 |
413.7 |
-1.0 |
0.615 |
10 |
0 |
0 |
0.000 |
12 |
|
G |
41 |
15 |
12922 |
◊ |
C |
x,y,z |
1_555 |
38 |
15 |
13602 |
391.6 |
-1.8 |
0.486 |
10 |
0 |
0 |
0.000 |
| Average: |
410.1 |
-1.2 |
0.581 |
10 |
0 |
0 |
0.000 |
| 4 |
13 |
|
F |
31 |
9 |
12950 |
◊ |
E |
x-1,y,z+1 |
1_456 |
28 |
9 |
12904 |
286.6 |
-3.6 |
0.282 |
3 |
0 |
0 |
0.000 |
14 |
|
G |
25 |
8 |
12922 |
◊ |
H |
x-1,y,z |
1_455 |
25 |
9 |
12801 |
267.9 |
-2.8 |
0.392 |
3 |
0 |
0 |
0.000 |
| Average: |
277.3 |
-3.2 |
0.337 |
3 |
0 |
0 |
0.000 |
| 5 |
15 |
|
[1F8]D:1 |
16 |
1 |
425 |
f |
D |
x,y,z |
1_555 |
31 |
13 |
13531 |
256.4 |
-4.6 |
0.641 |
2 |
0 |
0 |
0.044 |
16 |
|
[1F8]C:1 |
16 |
1 |
420 |
f |
C |
x,y,z |
1_555 |
31 |
13 |
13602 |
252.9 |
-4.5 |
0.651 |
2 |
0 |
0 |
0.044 |
17 |
|
[1F8]A:1 |
16 |
1 |
420 |
f |
A |
x,y,z |
1_555 |
30 |
13 |
13874 |
249.8 |
-5.1 |
0.578 |
2 |
0 |
0 |
0.044 |
18 |
|
[1F8]B:1 |
16 |
1 |
424 |
f |
B |
x,y,z |
1_555 |
29 |
12 |
13602 |
242.5 |
-5.3 |
0.483 |
2 |
0 |
0 |
0.044 |
| Average: |
250.4 |
-4.9 |
0.588 |
2 |
0 |
0 |
0.044 |
| 6 |
19 |
|
[1F8]E:1 |
16 |
1 |
425 |
f |
E |
x,y,z |
1_555 |
29 |
12 |
12904 |
238.7 |
-5.1 |
0.540 |
2 |
0 |
0 |
0.100 |
20 |
|
[1F8]F:1 |
16 |
1 |
426 |
f |
F |
x,y,z |
1_555 |
29 |
11 |
12950 |
235.8 |
-5.0 |
0.607 |
2 |
0 |
0 |
0.100 |
21 |
|
[1F8]H:1 |
16 |
1 |
426 |
f |
H |
x,y,z |
1_555 |
30 |
11 |
12801 |
235.3 |
-5.1 |
0.601 |
2 |
0 |
0 |
0.100 |
22 |
|
[1F8]G:1 |
16 |
1 |
427 |
f |
G |
x,y,z |
1_555 |
31 |
11 |
12922 |
228.9 |
-4.8 |
0.627 |
2 |
0 |
0 |
0.100 |
| Average: |
234.7 |
-5.0 |
0.594 |
2 |
0 |
0 |
0.100 |
| 7 |
23 |
|
E |
27 |
8 |
12904 |
x |
E |
x-1,y,z |
1_455 |
28 |
8 |
12904 |
226.2 |
-1.4 |
0.504 |
1 |
0 |
0 |
0.000 |
24 |
|
G |
28 |
6 |
12922 |
x |
G |
x-1,y,z |
1_455 |
22 |
8 |
12922 |
215.1 |
-1.5 |
0.519 |
1 |
0 |
0 |
0.000 |
25 |
|
F |
20 |
4 |
12950 |
x |
F |
x-1,y,z |
1_455 |
19 |
7 |
12950 |
169.7 |
-1.7 |
0.490 |
1 |
0 |
0 |
0.000 |
26 |
|
H |
20 |
6 |
12801 |
x |
H |
x-1,y,z |
1_455 |
19 |
5 |
12801 |
136.3 |
-0.6 |
0.657 |
1 |
0 |
0 |
0.000 |
| Average: |
186.8 |
-1.3 |
0.542 |
1 |
0 |
0 |
0.000 |
| 8 |
27 |
|
H |
18 |
8 |
12801 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
13602 |
194.7 |
0.1 |
0.698 |
1 |
1 |
0 |
0.000 |
28 |
|
F |
17 |
8 |
12950 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
13874 |
191.3 |
-0.0 |
0.682 |
2 |
1 |
0 |
0.000 |
29 |
|
D |
22 |
8 |
13531 |
◊ |
E |
x-1,y,z |
1_455 |
18 |
8 |
12904 |
190.6 |
-0.1 |
0.652 |
1 |
1 |
0 |
0.000 |
30 |
|
G |
18 |
8 |
12922 |
◊ |
C |
x-1,y,z |
1_455 |
21 |
7 |
13602 |
186.0 |
-0.2 |
0.656 |
2 |
1 |
0 |
0.000 |
| Average: |
190.7 |
-0.1 |
0.672 |
2 |
1 |
0 |
0.000 |
| 9 |
31 |
|
E |
21 |
9 |
12904 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
13602 |
167.0 |
0.7 |
0.697 |
2 |
2 |
0 |
0.000 |
32 |
|
H |
21 |
9 |
12801 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
13531 |
152.0 |
0.8 |
0.766 |
2 |
2 |
0 |
0.000 |
| Average: |
159.5 |
0.8 |
0.732 |
2 |
2 |
0 |
0.000 |
| 10 |
33 |
|
G |
16 |
8 |
12922 |
◊ |
A |
x,y,z |
1_555 |
19 |
9 |
13874 |
157.2 |
1.5 |
0.799 |
1 |
3 |
0 |
0.000 |
34 |
|
F |
14 |
7 |
12950 |
◊ |
C |
x,y,z |
1_555 |
18 |
9 |
13602 |
141.1 |
1.5 |
0.820 |
1 |
3 |
0 |
0.000 |
| Average: |
149.2 |
1.5 |
0.810 |
1 |
3 |
0 |
0.000 |
| 11 |
35 |
|
A |
18 |
5 |
13874 |
◊ |
G |
x,y-1,z |
1_545 |
14 |
6 |
12922 |
142.5 |
-1.2 |
0.469 |
0 |
0 |
0 |
0.000 |
36 |
|
E |
16 |
5 |
12904 |
◊ |
B |
x,y-1,z |
1_545 |
16 |
4 |
13602 |
132.8 |
-1.5 |
0.396 |
0 |
0 |
0 |
0.000 |
| Average: |
137.6 |
-1.4 |
0.433 |
0 |
0 |
0 |
0.000 |
| 12 |
37 |
|
B |
12 |
3 |
13602 |
◊ |
C |
x-1,y,z-1 |
1_454 |
10 |
3 |
13602 |
116.1 |
0.3 |
0.695 |
2 |
0 |
0 |
0.000 |
38 |
|
D |
11 |
3 |
13531 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
3 |
13874 |
115.4 |
0.3 |
0.701 |
2 |
0 |
0 |
0.000 |
| Average: |
115.8 |
0.3 |
0.698 |
2 |
0 |
0 |
0.000 |
| 13 |
39 |
|
[1F8]F:1 |
15 |
1 |
426 |
◊ |
E |
x-1,y,z+1 |
1_456 |
12 |
4 |
12904 |
103.0 |
-2.3 |
0.369 |
0 |
0 |
0 |
0.000 |
40 |
|
F |
9 |
4 |
12950 |
◊ |
[1F8]E:1 |
x-1,y,z+1 |
1_456 |
11 |
1 |
425 |
75.8 |
-2.1 |
0.378 |
0 |
0 |
0 |
0.000 |
41 |
|
G |
8 |
3 |
12922 |
◊ |
[1F8]H:1 |
x-1,y,z |
1_455 |
10 |
1 |
426 |
69.6 |
-1.9 |
0.375 |
0 |
0 |
0 |
0.000 |
42 |
|
[1F8]G:1 |
10 |
1 |
427 |
◊ |
H |
x-1,y,z |
1_455 |
9 |
3 |
12801 |
69.1 |
-2.0 |
0.421 |
0 |
0 |
0 |
0.000 |
| Average: |
79.4 |
-2.1 |
0.386 |
0 |
0 |
0 |
0.000 |
| 14 |
43 |
|
[CL]D:360 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
13531 |
58.4 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.060 |
44 |
|
[CL]B:5 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
13602 |
57.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.060 |
45 |
|
[CL]A:2 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
13874 |
57.0 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.060 |
46 |
|
[CL]C:6 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
13602 |
56.5 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.060 |
| Average: |
57.3 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.060 |
| 15 |
47 |
|
[1F8]G:1 |
3 |
1 |
427 |
◊ |
[1F8]H:1 |
x-1,y,z |
1_455 |
2 |
1 |
426 |
23.4 |
-0.8 |
0.658 |
0 |
0 |
0 |
0.000 |
48 |
|
[1F8]F:1 |
2 |
1 |
426 |
◊ |
[1F8]E:1 |
x-1,y,z+1 |
1_456 |
2 |
1 |
425 |
23.4 |
-0.7 |
0.621 |
0 |
0 |
0 |
0.000 |
| Average: |
23.4 |
-0.8 |
0.639 |
0 |
0 |
0 |
0.000 |
| 16 |
49 |
|
[CL]B:5 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
4 |
4 |
12801 |
18.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
|
[CL]D:360 |
1 |
1 |
125 |
◊ |
E |
x-1,y,z |
1_455 |
4 |
4 |
12904 |
14.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
|
[CL]A:2 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
4 |
4 |
12950 |
13.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
|
G |
4 |
4 |
12922 |
◊ |
[CL]C:6 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
12.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
14.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 17 |
53 |
|
F |
4 |
2 |
12950 |
◊ |
C |
x-1,y-1,z |
1_445 |
2 |
1 |
13602 |
16.6 |
-0.5 |
0.340 |
0 |
0 |
0 |
0.000 |
| 18 |
54 |
|
B |
2 |
1 |
13602 |
◊ |
F |
x,y,z-1 |
1_554 |
2 |
1 |
12950 |
13.2 |
0.5 |
0.839 |
0 |
0 |
0 |
0.000 |
55 |
|
G |
2 |
1 |
12922 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
13531 |
12.0 |
0.5 |
0.837 |
0 |
0 |
0 |
0.000 |
| Average: |
12.6 |
0.5 |
0.838 |
0 |
0 |
0 |
0.000 |
| 19 |
56 |
|
C |
3 |
2 |
13602 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13874 |
11.0 |
-0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
57 |
|
A |
3 |
2 |
13874 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
13602 |
9.5 |
-0.0 |
0.574 |
0 |
0 |
0 |
0.000 |
| Average: |
10.2 |
-0.0 |
0.580 |
0 |
0 |
0 |
0.000 |
|