| ## |
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 |
70 |
18 |
14097 |
x |
B |
-y,x-y,z-1/3 |
2_554 |
61 |
18 |
14430 |
619.5 |
0.5 |
0.623 |
13 |
5 |
0 |
0.000 |
2 |
|
H |
66 |
17 |
14489 |
x |
H |
-y+1,x-y,z-1/3 |
2_654 |
58 |
16 |
14489 |
574.9 |
0.2 |
0.603 |
9 |
5 |
0 |
0.000 |
3 |
|
E |
53 |
15 |
14432 |
x |
F |
-y,x-y,z-1/3 |
2_554 |
68 |
18 |
14502 |
559.0 |
-0.6 |
0.519 |
9 |
3 |
0 |
0.000 |
4 |
|
A |
64 |
18 |
14276 |
x |
C |
-y,x-y,z-1/3 |
2_554 |
59 |
17 |
14097 |
558.9 |
-0.7 |
0.545 |
9 |
2 |
0 |
0.000 |
5 |
|
D |
56 |
17 |
14139 |
x |
E |
-y,x-y,z-1/3 |
2_554 |
67 |
17 |
14432 |
550.2 |
-2.7 |
0.377 |
9 |
1 |
0 |
0.000 |
6 |
|
B |
68 |
18 |
14430 |
x |
A |
-y,x-y,z-1/3 |
2_554 |
48 |
15 |
14276 |
548.4 |
-2.4 |
0.415 |
8 |
1 |
0 |
0.000 |
7 |
|
F |
57 |
17 |
14502 |
x |
D |
-y,x-y,z-1/3 |
2_554 |
64 |
17 |
14139 |
536.9 |
-2.0 |
0.419 |
7 |
0 |
0 |
0.000 |
8 |
|
G |
62 |
17 |
14068 |
x |
G |
-y,x-y,z-1/3 |
2_554 |
55 |
17 |
14068 |
528.5 |
-0.6 |
0.514 |
8 |
1 |
0 |
0.000 |
| Average: |
559.5 |
-1.0 |
0.502 |
9 |
2 |
0 |
0.000 |
| 2 |
9 |
|
I |
49 |
15 |
14177 |
x |
I |
-y+1,x-y+1,z-1/3 |
2_664 |
60 |
16 |
14177 |
504.9 |
-0.6 |
0.559 |
7 |
1 |
0 |
0.000 |
| 3 |
10 |
|
[PHF]H:1310 |
21 |
1 |
638 |
f |
H |
x,y,z |
1_555 |
40 |
16 |
14489 |
324.1 |
1.9 |
0.487 |
11 |
0 |
0 |
0.100 |
11 |
|
[PHF]I:1310 |
23 |
1 |
625 |
f |
I |
x,y,z |
1_555 |
34 |
14 |
14177 |
311.5 |
2.5 |
0.572 |
12 |
0 |
0 |
0.100 |
12 |
|
[PHF]G:1310 |
21 |
1 |
603 |
f |
G |
x,y,z |
1_555 |
42 |
15 |
14068 |
309.2 |
0.6 |
0.456 |
7 |
0 |
0 |
0.100 |
| Average: |
314.9 |
1.7 |
0.505 |
10 |
0 |
0 |
0.100 |
| 4 |
13 |
|
I |
30 |
9 |
14177 |
◊ |
F |
x,y,z |
1_555 |
30 |
11 |
14502 |
321.7 |
0.8 |
0.657 |
2 |
0 |
0 |
0.000 |
14 |
|
G |
32 |
9 |
14068 |
◊ |
B |
x,y,z |
1_555 |
29 |
11 |
14430 |
289.0 |
-0.6 |
0.468 |
4 |
0 |
0 |
0.000 |
15 |
|
H |
26 |
6 |
14489 |
◊ |
A |
x,y,z |
1_555 |
32 |
13 |
14276 |
269.3 |
-0.7 |
0.470 |
3 |
0 |
0 |
0.000 |
| Average: |
293.4 |
-0.2 |
0.532 |
3 |
0 |
0 |
0.000 |
| 5 |
16 |
|
I |
31 |
11 |
14177 |
◊ |
A |
x,y,z |
1_555 |
34 |
14 |
14276 |
304.0 |
3.1 |
0.812 |
4 |
1 |
0 |
0.000 |
17 |
|
E |
31 |
11 |
14432 |
◊ |
H |
x-1,y-1,z |
1_445 |
31 |
13 |
14489 |
242.8 |
3.2 |
0.841 |
4 |
1 |
0 |
0.000 |
| Average: |
273.4 |
3.2 |
0.826 |
4 |
1 |
0 |
0.000 |
| 6 |
18 |
|
[HF5]C:1310 |
18 |
1 |
601 |
f |
C |
x,y,z |
1_555 |
36 |
15 |
14097 |
280.6 |
1.9 |
0.430 |
10 |
0 |
0 |
0.100 |
19 |
|
[HF5]A:1310 |
20 |
1 |
625 |
f |
A |
x,y,z |
1_555 |
40 |
15 |
14276 |
279.6 |
-0.4 |
0.330 |
8 |
0 |
0 |
0.100 |
20 |
|
[HF5]B:1310 |
19 |
1 |
627 |
f |
B |
x,y,z |
1_555 |
38 |
14 |
14430 |
271.8 |
1.6 |
0.380 |
8 |
0 |
0 |
0.100 |
21 |
|
[HF5]E:1310 |
17 |
1 |
569 |
f |
E |
x,y,z |
1_555 |
36 |
14 |
14432 |
265.0 |
-0.5 |
0.389 |
6 |
0 |
0 |
0.100 |
22 |
|
[HF5]F:1310 |
16 |
1 |
603 |
f |
F |
x,y,z |
1_555 |
30 |
12 |
14502 |
245.3 |
1.0 |
0.409 |
9 |
0 |
0 |
0.100 |
| Average: |
268.5 |
0.7 |
0.388 |
8 |
0 |
0 |
0.100 |
| 7 |
23 |
|
B |
25 |
9 |
14430 |
◊ |
H |
-y,x-y,z-1/3 |
2_554 |
24 |
11 |
14489 |
255.5 |
4.2 |
0.874 |
4 |
2 |
0 |
0.000 |
24 |
|
I |
15 |
5 |
14177 |
◊ |
D |
-y,x-y,z-1/3 |
2_554 |
19 |
4 |
14139 |
144.3 |
2.2 |
0.800 |
1 |
1 |
0 |
0.000 |
| Average: |
199.9 |
3.2 |
0.837 |
3 |
2 |
0 |
0.000 |
| 8 |
25 |
|
A |
26 |
9 |
14276 |
◊ |
G |
-y,x-y,z-1/3 |
2_554 |
35 |
11 |
14068 |
225.4 |
-1.4 |
0.379 |
1 |
0 |
0 |
0.000 |
26 |
|
I |
23 |
8 |
14177 |
◊ |
E |
-y,x-y+1,z-1/3 |
2_564 |
17 |
7 |
14432 |
168.1 |
-0.6 |
0.503 |
1 |
0 |
0 |
0.000 |
27 |
|
C |
16 |
8 |
14097 |
◊ |
H |
-y,x-y-1,z-1/3 |
2_544 |
22 |
7 |
14489 |
151.6 |
-0.7 |
0.429 |
1 |
0 |
0 |
0.000 |
| Average: |
181.7 |
-0.9 |
0.437 |
1 |
0 |
0 |
0.000 |
| 9 |
28 |
|
[HF3]D:1310 |
13 |
1 |
477 |
f |
D |
x,y,z |
1_555 |
32 |
13 |
14139 |
216.2 |
-0.9 |
0.454 |
7 |
0 |
0 |
0.100 |
| 10 |
29 |
|
B |
29 |
12 |
14430 |
◊ |
E |
-y-1,x-y,z-1/3 |
2_454 |
25 |
12 |
14432 |
213.7 |
1.6 |
0.729 |
1 |
0 |
0 |
0.000 |
30 |
|
C |
26 |
11 |
14097 |
◊ |
F |
-y,x-y,z-1/3 |
2_554 |
28 |
11 |
14502 |
200.6 |
2.3 |
0.776 |
0 |
2 |
0 |
0.000 |
31 |
|
A |
19 |
8 |
14276 |
◊ |
D |
-y,x-y,z-1/3 |
2_554 |
25 |
10 |
14139 |
188.1 |
2.5 |
0.805 |
2 |
1 |
0 |
0.000 |
| Average: |
200.8 |
2.1 |
0.770 |
1 |
1 |
0 |
0.000 |
| 11 |
32 |
|
D |
24 |
8 |
14139 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
14097 |
180.1 |
0.7 |
0.532 |
2 |
0 |
0 |
0.000 |
33 |
|
B |
25 |
8 |
14430 |
◊ |
D |
x-1,y,z |
1_455 |
16 |
6 |
14139 |
169.5 |
1.1 |
0.672 |
1 |
0 |
0 |
0.000 |
| Average: |
174.8 |
0.9 |
0.602 |
2 |
0 |
0 |
0.000 |
| 12 |
34 |
|
C |
20 |
9 |
14097 |
◊ |
G |
-y,x-y,z-1/3 |
2_554 |
22 |
9 |
14068 |
175.5 |
2.8 |
0.827 |
2 |
1 |
0 |
0.000 |
| 13 |
35 |
|
F |
22 |
6 |
14502 |
◊ |
A |
x,y,z |
1_555 |
22 |
7 |
14276 |
173.1 |
0.8 |
0.659 |
1 |
0 |
0 |
0.000 |
36 |
|
E |
18 |
5 |
14432 |
◊ |
A |
x-1,y-1,z |
1_445 |
19 |
6 |
14276 |
135.8 |
0.2 |
0.594 |
2 |
0 |
0 |
0.000 |
37 |
|
E |
18 |
6 |
14432 |
◊ |
C |
x,y,z |
1_555 |
18 |
5 |
14097 |
133.9 |
0.3 |
0.610 |
1 |
0 |
0 |
0.000 |
| Average: |
147.6 |
0.4 |
0.621 |
1 |
0 |
0 |
0.000 |
| 14 |
38 |
|
A |
13 |
4 |
14276 |
◊ |
I |
-y+1,x-y+1,z-1/3 |
2_664 |
21 |
7 |
14177 |
159.3 |
2.0 |
0.792 |
2 |
0 |
0 |
0.000 |
39 |
|
H |
17 |
6 |
14489 |
◊ |
E |
-y,x-y,z-1/3 |
2_554 |
8 |
3 |
14432 |
128.3 |
1.9 |
0.768 |
2 |
0 |
0 |
0.000 |
| Average: |
143.8 |
2.0 |
0.780 |
2 |
0 |
0 |
0.000 |
| 15 |
40 |
|
F |
18 |
7 |
14502 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
14430 |
146.3 |
0.3 |
0.595 |
3 |
0 |
0 |
0.000 |
| 16 |
41 |
|
C |
19 |
6 |
14097 |
◊ |
E |
-y,x-y,z-1/3 |
2_554 |
18 |
5 |
14432 |
143.8 |
0.9 |
0.692 |
0 |
0 |
0 |
0.000 |
42 |
|
C |
17 |
7 |
14097 |
◊ |
D |
-y,x-y-1,z-1/3 |
2_544 |
16 |
5 |
14139 |
108.5 |
1.1 |
0.701 |
0 |
0 |
0 |
0.000 |
43 |
|
B |
12 |
5 |
14430 |
◊ |
D |
-y,x-y,z-1/3 |
2_554 |
12 |
4 |
14139 |
65.1 |
0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
| Average: |
105.8 |
0.7 |
0.662 |
0 |
0 |
0 |
0.000 |
| 17 |
44 |
|
G |
14 |
7 |
14068 |
◊ |
F |
x,y,z |
1_555 |
21 |
9 |
14502 |
134.5 |
0.6 |
0.614 |
1 |
1 |
0 |
0.000 |
| 18 |
45 |
|
G |
15 |
7 |
14068 |
◊ |
F |
-y,x-y,z-1/3 |
2_554 |
10 |
3 |
14502 |
113.3 |
1.8 |
0.765 |
2 |
0 |
0 |
0.000 |
| 19 |
46 |
|
B |
11 |
4 |
14430 |
◊ |
I |
x-1,y-1,z |
1_445 |
7 |
2 |
14177 |
90.7 |
-0.4 |
0.508 |
1 |
1 |
0 |
0.000 |
47 |
|
F |
10 |
4 |
14502 |
◊ |
H |
x-1,y,z |
1_455 |
7 |
2 |
14489 |
74.7 |
-0.6 |
0.417 |
0 |
1 |
0 |
0.000 |
48 |
|
G |
6 |
2 |
14068 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
14139 |
41.5 |
-0.3 |
0.494 |
0 |
0 |
0 |
0.000 |
| Average: |
69.0 |
-0.5 |
0.473 |
0 |
1 |
0 |
0.000 |
| 20 |
49 |
|
A |
8 |
3 |
14276 |
◊ |
E |
-y,x-y,z-1/3 |
2_554 |
7 |
5 |
14432 |
46.6 |
0.8 |
0.754 |
1 |
2 |
0 |
0.000 |
50 |
|
A |
5 |
2 |
14276 |
◊ |
F |
-y+1,x-y+1,z-1/3 |
2_664 |
8 |
3 |
14502 |
43.0 |
0.7 |
0.744 |
0 |
0 |
0 |
0.000 |
51 |
|
B |
5 |
1 |
14430 |
◊ |
F |
-y,x-y,z-1/3 |
2_554 |
3 |
1 |
14502 |
37.0 |
0.5 |
0.722 |
1 |
1 |
0 |
0.000 |
| Average: |
42.2 |
0.7 |
0.740 |
1 |
1 |
0 |
0.000 |
| 21 |
52 |
|
C |
5 |
2 |
14097 |
◊ |
I |
x,y-1,z |
1_545 |
5 |
1 |
14177 |
45.9 |
1.2 |
0.846 |
1 |
2 |
0 |
0.000 |
53 |
|
H |
3 |
1 |
14489 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
14139 |
23.6 |
-0.2 |
0.466 |
0 |
0 |
0 |
0.000 |
| Average: |
34.8 |
0.5 |
0.656 |
1 |
1 |
0 |
0.000 |
| 22 |
54 |
|
[PHF]I:1310 |
5 |
1 |
625 |
◊ |
D |
-y,x-y,z-1/3 |
2_554 |
1 |
1 |
14139 |
32.1 |
0.4 |
0.577 |
2 |
0 |
0 |
0.000 |
| 23 |
55 |
|
F |
4 |
4 |
14502 |
◊ |
C |
-y,x-y,z+2/3 |
2_555 |
1 |
1 |
14097 |
27.2 |
1.0 |
0.701 |
0 |
0 |
0 |
0.000 |
56 |
|
D |
1 |
1 |
14139 |
◊ |
A |
-y+1,x-y,z+2/3 |
2_655 |
1 |
1 |
14276 |
1.9 |
0.0 |
0.584 |
0 |
0 |
0 |
0.000 |
| Average: |
14.5 |
0.5 |
0.642 |
0 |
0 |
0 |
0.000 |
| 24 |
57 |
|
H |
2 |
1 |
14489 |
◊ |
F |
-y+1,x-y+1,z-1/3 |
2_664 |
3 |
1 |
14502 |
8.8 |
0.1 |
0.524 |
0 |
0 |
0 |
0.000 |
58 |
|
G |
1 |
1 |
14068 |
◊ |
D |
-y,x-y,z-1/3 |
2_554 |
1 |
1 |
14139 |
7.0 |
0.5 |
0.909 |
0 |
0 |
0 |
0.000 |
| Average: |
7.9 |
0.3 |
0.717 |
0 |
0 |
0 |
0.000 |
| 25 |
59 |
|
[HF5]A:1310 |
2 |
1 |
625 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
14177 |
4.8 |
-0.0 |
0.375 |
0 |
0 |
0 |
0.000 |
| 26 |
60 |
|
B |
1 |
1 |
14430 |
◊ |
[PHF]H:1310 |
-y,x-y,z-1/3 |
2_554 |
1 |
1 |
638 |
3.3 |
-0.0 |
0.345 |
0 |
0 |
0 |
0.000 |
| 27 |
61 |
|
G |
1 |
1 |
14068 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14097 |
2.4 |
0.1 |
0.748 |
0 |
0 |
0 |
0.000 |
|