| ## |
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 |
|
Q |
254 |
58 |
11982 |
◊ |
P |
x,y,z |
1_555 |
275 |
69 |
11608 |
2431.3 |
-24.5 |
0.138 |
35 |
12 |
0 |
1.000 |
2 |
|
L |
257 |
57 |
11909 |
◊ |
K |
x,y,z |
1_555 |
271 |
69 |
11583 |
2414.8 |
-23.9 |
0.142 |
36 |
13 |
0 |
1.000 |
3 |
|
G |
256 |
59 |
11602 |
◊ |
F |
x,y,z |
1_555 |
268 |
68 |
11511 |
2409.7 |
-23.0 |
0.166 |
35 |
11 |
0 |
1.000 |
4 |
|
B |
247 |
56 |
11473 |
◊ |
A |
x,y,z |
1_555 |
263 |
67 |
11371 |
2355.4 |
-23.1 |
0.163 |
35 |
10 |
0 |
1.000 |
| Average: |
2402.8 |
-23.6 |
0.152 |
35 |
12 |
0 |
1.000 |
| 2 |
5 |
|
E |
242 |
70 |
12880 |
◊ |
D |
x,y,z |
1_555 |
244 |
59 |
11934 |
2251.7 |
-28.0 |
0.103 |
29 |
6 |
1 |
1.000 |
6 |
|
T |
239 |
66 |
12891 |
◊ |
S |
x,y,z |
1_555 |
245 |
59 |
11883 |
2210.9 |
-30.7 |
0.049 |
27 |
6 |
1 |
1.000 |
7 |
|
J |
237 |
68 |
13038 |
◊ |
I |
x,y,z |
1_555 |
238 |
58 |
11960 |
2201.8 |
-28.4 |
0.063 |
24 |
6 |
1 |
1.000 |
8 |
|
O |
234 |
67 |
12881 |
◊ |
N |
x,y,z |
1_555 |
237 |
59 |
11973 |
2196.4 |
-29.3 |
0.045 |
27 |
6 |
1 |
1.000 |
| Average: |
2215.2 |
-29.1 |
0.065 |
27 |
6 |
1 |
1.000 |
| 3 |
9 |
|
R |
56 |
15 |
2062 |
◊ |
P |
x,y,z |
1_555 |
69 |
24 |
11608 |
606.2 |
-5.2 |
0.676 |
13 |
0 |
0 |
0.179 |
10 |
|
H |
56 |
15 |
2069 |
◊ |
F |
x,y,z |
1_555 |
74 |
24 |
11511 |
605.8 |
-6.6 |
0.623 |
8 |
1 |
0 |
0.179 |
11 |
|
M |
54 |
15 |
2059 |
◊ |
K |
x,y,z |
1_555 |
70 |
24 |
11583 |
603.0 |
-6.2 |
0.642 |
12 |
0 |
0 |
0.179 |
12 |
|
C |
52 |
15 |
2063 |
◊ |
A |
x,y,z |
1_555 |
74 |
25 |
11371 |
590.0 |
-6.4 |
0.644 |
9 |
0 |
0 |
0.179 |
| Average: |
601.3 |
-6.1 |
0.646 |
11 |
0 |
0 |
0.179 |
| 4 |
13 |
|
C |
54 |
12 |
2063 |
◊ |
B |
x,y,z |
1_555 |
74 |
22 |
11473 |
537.4 |
-8.3 |
0.378 |
6 |
0 |
0 |
0.179 |
14 |
|
H |
54 |
12 |
2069 |
◊ |
G |
x,y,z |
1_555 |
74 |
22 |
11602 |
537.2 |
-8.3 |
0.369 |
6 |
0 |
0 |
0.179 |
15 |
|
M |
54 |
12 |
2059 |
◊ |
L |
x,y,z |
1_555 |
72 |
23 |
11909 |
535.4 |
-8.4 |
0.356 |
6 |
0 |
0 |
0.179 |
16 |
|
R |
56 |
12 |
2062 |
◊ |
Q |
x,y,z |
1_555 |
70 |
22 |
11982 |
532.9 |
-8.1 |
0.382 |
5 |
0 |
0 |
0.179 |
| Average: |
535.7 |
-8.3 |
0.372 |
6 |
0 |
0 |
0.179 |
| 5 |
17 |
|
I |
59 |
21 |
11960 |
◊ |
B |
x,y,z |
1_555 |
47 |
16 |
11473 |
516.0 |
-0.2 |
0.609 |
4 |
0 |
0 |
0.000 |
18 |
|
D |
51 |
21 |
11934 |
◊ |
G |
x,y,z |
1_555 |
48 |
16 |
11602 |
495.5 |
-1.4 |
0.539 |
4 |
0 |
0 |
0.000 |
| Average: |
505.8 |
-0.8 |
0.574 |
4 |
0 |
0 |
0.000 |
| 6 |
19 |
|
I |
41 |
10 |
11960 |
◊ |
L |
x,y,z |
1_555 |
50 |
17 |
11909 |
390.3 |
1.6 |
0.731 |
3 |
3 |
0 |
0.000 |
20 |
|
D |
36 |
10 |
11934 |
◊ |
Q |
x,y,z |
1_555 |
49 |
16 |
11982 |
378.0 |
2.2 |
0.784 |
3 |
2 |
0 |
0.000 |
21 |
|
S |
40 |
10 |
11883 |
◊ |
B |
x,y,z |
1_555 |
44 |
17 |
11473 |
370.7 |
1.7 |
0.776 |
4 |
3 |
0 |
0.000 |
22 |
|
N |
41 |
10 |
11973 |
◊ |
G |
x,y,z |
1_555 |
44 |
17 |
11602 |
368.5 |
1.1 |
0.735 |
4 |
2 |
0 |
0.000 |
| Average: |
376.9 |
1.6 |
0.756 |
4 |
3 |
0 |
0.000 |
| 7 |
23 |
|
F |
37 |
12 |
11511 |
◊ |
E |
x,y,z-1 |
1_554 |
44 |
14 |
12880 |
375.0 |
-0.7 |
0.717 |
3 |
1 |
0 |
0.000 |
24 |
|
J |
41 |
15 |
13038 |
◊ |
A |
x,y,z-1 |
1_554 |
36 |
13 |
11371 |
348.2 |
-1.7 |
0.595 |
2 |
0 |
0 |
0.000 |
25 |
|
K |
34 |
10 |
11583 |
◊ |
T |
x,y,z-1 |
1_554 |
39 |
13 |
12891 |
335.5 |
-1.7 |
0.551 |
3 |
1 |
0 |
0.000 |
26 |
|
O |
42 |
14 |
12881 |
◊ |
P |
x,y,z-1 |
1_554 |
40 |
12 |
11608 |
330.4 |
-1.4 |
0.628 |
2 |
0 |
0 |
0.000 |
| Average: |
347.3 |
-1.4 |
0.623 |
3 |
1 |
0 |
0.000 |
| 8 |
27 |
|
S |
48 |
13 |
11883 |
◊ |
Q |
x,y,z |
1_555 |
40 |
11 |
11982 |
370.1 |
-1.5 |
0.528 |
3 |
3 |
0 |
0.000 |
28 |
|
N |
47 |
15 |
11973 |
◊ |
L |
x,y,z |
1_555 |
37 |
9 |
11909 |
369.4 |
-1.2 |
0.536 |
3 |
2 |
0 |
0.000 |
29 |
|
I |
41 |
13 |
11960 |
◊ |
G |
x,y,z |
1_555 |
41 |
9 |
11602 |
367.0 |
-1.2 |
0.536 |
2 |
1 |
0 |
0.000 |
30 |
|
D |
39 |
13 |
11934 |
◊ |
B |
x,y,z |
1_555 |
40 |
9 |
11473 |
365.8 |
-2.5 |
0.408 |
2 |
2 |
0 |
0.000 |
| Average: |
368.1 |
-1.6 |
0.502 |
3 |
2 |
0 |
0.000 |
| 9 |
31 |
|
L |
41 |
11 |
11909 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
42 |
10 |
12880 |
331.0 |
-1.8 |
0.505 |
5 |
0 |
0 |
0.000 |
32 |
|
J |
42 |
10 |
13038 |
◊ |
Q |
-x,y-1/2,-z-1 |
2_544 |
36 |
11 |
11982 |
298.7 |
-2.5 |
0.436 |
5 |
0 |
0 |
0.000 |
| Average: |
314.9 |
-2.1 |
0.470 |
5 |
0 |
0 |
0.000 |
| 10 |
33 |
|
O |
34 |
14 |
12881 |
◊ |
E |
x-1,y,z-1 |
1_454 |
32 |
13 |
12880 |
330.6 |
-3.0 |
0.392 |
2 |
0 |
0 |
0.000 |
| 11 |
34 |
|
T |
31 |
11 |
12891 |
◊ |
A |
x-1,y,z |
1_455 |
36 |
11 |
11371 |
293.2 |
-1.4 |
0.615 |
2 |
0 |
0 |
0.000 |
| 12 |
35 |
|
P |
35 |
14 |
11608 |
◊ |
F |
x-1,y,z |
1_455 |
32 |
10 |
11511 |
284.0 |
-1.7 |
0.606 |
1 |
0 |
0 |
0.000 |
| 13 |
36 |
|
L |
32 |
10 |
11909 |
◊ |
O |
-x,y-1/2,-z-1 |
2_544 |
25 |
7 |
12881 |
261.1 |
-1.1 |
0.484 |
2 |
3 |
0 |
0.000 |
37 |
|
T |
21 |
6 |
12891 |
◊ |
Q |
-x,y-1/2,-z |
2_545 |
32 |
10 |
11982 |
232.4 |
-1.7 |
0.450 |
1 |
0 |
0 |
0.000 |
| Average: |
246.8 |
-1.4 |
0.467 |
2 |
2 |
0 |
0.000 |
| 14 |
38 |
|
E |
27 |
10 |
12880 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
11371 |
223.2 |
-2.6 |
0.378 |
1 |
0 |
0 |
0.000 |
39 |
|
J |
25 |
9 |
13038 |
◊ |
F |
x,y,z |
1_555 |
25 |
8 |
11511 |
221.9 |
-2.8 |
0.320 |
1 |
0 |
0 |
0.000 |
40 |
|
O |
23 |
9 |
12881 |
◊ |
K |
x,y,z |
1_555 |
26 |
7 |
11583 |
219.0 |
-2.8 |
0.314 |
1 |
0 |
0 |
0.000 |
41 |
|
T |
26 |
10 |
12891 |
◊ |
P |
x,y,z |
1_555 |
28 |
8 |
11608 |
211.2 |
-3.0 |
0.327 |
0 |
0 |
0 |
0.000 |
| Average: |
218.8 |
-2.8 |
0.335 |
1 |
0 |
0 |
0.000 |
| 15 |
42 |
|
D |
28 |
9 |
11934 |
◊ |
C |
x,y,z |
1_555 |
22 |
7 |
2063 |
219.9 |
-1.3 |
0.711 |
1 |
0 |
0 |
0.000 |
43 |
|
S |
28 |
8 |
11883 |
◊ |
R |
x,y,z |
1_555 |
21 |
6 |
2062 |
213.0 |
-1.5 |
0.664 |
1 |
0 |
0 |
0.000 |
44 |
|
N |
25 |
7 |
11973 |
◊ |
M |
x,y,z |
1_555 |
21 |
6 |
2059 |
210.5 |
-1.5 |
0.642 |
1 |
0 |
0 |
0.000 |
45 |
|
I |
27 |
8 |
11960 |
◊ |
H |
x,y,z |
1_555 |
23 |
7 |
2069 |
205.3 |
-1.1 |
0.714 |
1 |
0 |
0 |
0.000 |
| Average: |
212.2 |
-1.4 |
0.683 |
1 |
0 |
0 |
0.000 |
| 16 |
46 |
|
L |
28 |
9 |
11909 |
◊ |
F |
-x,y-1/2,-z-1 |
2_544 |
22 |
8 |
11511 |
205.9 |
-4.0 |
0.188 |
1 |
0 |
0 |
0.000 |
47 |
|
A |
22 |
8 |
11371 |
◊ |
Q |
-x,y-1/2,-z |
2_545 |
26 |
9 |
11982 |
201.6 |
-4.2 |
0.165 |
1 |
0 |
0 |
0.000 |
| Average: |
203.7 |
-4.1 |
0.177 |
1 |
0 |
0 |
0.000 |
| 17 |
48 |
|
J |
25 |
6 |
13038 |
◊ |
H |
x,y,z |
1_555 |
16 |
5 |
2069 |
192.5 |
1.1 |
0.855 |
4 |
0 |
0 |
0.000 |
49 |
|
T |
24 |
6 |
12891 |
◊ |
R |
x,y,z |
1_555 |
18 |
5 |
2062 |
187.7 |
0.5 |
0.749 |
4 |
0 |
0 |
0.000 |
50 |
|
E |
22 |
6 |
12880 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
2063 |
186.6 |
0.5 |
0.730 |
6 |
0 |
0 |
0.000 |
51 |
|
O |
24 |
6 |
12881 |
◊ |
M |
x,y,z |
1_555 |
17 |
4 |
2059 |
184.3 |
0.4 |
0.714 |
5 |
0 |
0 |
0.000 |
| Average: |
187.8 |
0.6 |
0.762 |
5 |
0 |
0 |
0.000 |
| 18 |
52 |
|
K |
18 |
9 |
11583 |
◊ |
A |
x-1,y,z-1 |
1_454 |
16 |
5 |
11371 |
177.5 |
-1.8 |
0.344 |
0 |
0 |
0 |
0.000 |
| 19 |
53 |
|
O |
22 |
7 |
12881 |
◊ |
L |
x,y,z |
1_555 |
22 |
6 |
11909 |
164.5 |
0.4 |
0.682 |
2 |
0 |
0 |
0.000 |
54 |
|
T |
20 |
7 |
12891 |
◊ |
Q |
x,y,z |
1_555 |
22 |
6 |
11982 |
161.9 |
0.3 |
0.671 |
1 |
0 |
0 |
0.000 |
55 |
|
J |
19 |
6 |
13038 |
◊ |
G |
x,y,z |
1_555 |
21 |
5 |
11602 |
160.5 |
0.7 |
0.715 |
3 |
0 |
0 |
0.000 |
56 |
|
E |
19 |
6 |
12880 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
11473 |
159.7 |
0.4 |
0.688 |
1 |
0 |
0 |
0.000 |
| Average: |
161.6 |
0.5 |
0.689 |
2 |
0 |
0 |
0.000 |
| 20 |
57 |
|
J |
18 |
7 |
13038 |
◊ |
B |
x,y,z-1 |
1_554 |
12 |
3 |
11473 |
151.1 |
-0.9 |
0.491 |
1 |
0 |
0 |
0.000 |
58 |
|
G |
12 |
3 |
11602 |
◊ |
E |
x,y,z-1 |
1_554 |
17 |
7 |
12880 |
143.7 |
-0.8 |
0.502 |
1 |
0 |
0 |
0.000 |
59 |
|
O |
16 |
7 |
12881 |
◊ |
Q |
x,y,z-1 |
1_554 |
12 |
3 |
11982 |
142.0 |
-0.3 |
0.560 |
1 |
0 |
0 |
0.000 |
60 |
|
L |
11 |
3 |
11909 |
◊ |
T |
x,y,z-1 |
1_554 |
17 |
7 |
12891 |
132.4 |
0.1 |
0.644 |
1 |
0 |
0 |
0.000 |
| Average: |
142.3 |
-0.5 |
0.549 |
1 |
0 |
0 |
0.000 |
| 21 |
61 |
|
O |
16 |
4 |
12881 |
◊ |
E |
x,y,z-1 |
1_554 |
16 |
4 |
12880 |
127.0 |
1.2 |
0.804 |
0 |
0 |
0 |
0.000 |
62 |
|
J |
9 |
3 |
13038 |
◊ |
T |
x,y,z-1 |
1_554 |
14 |
3 |
12891 |
97.5 |
1.4 |
0.798 |
0 |
0 |
0 |
0.000 |
| Average: |
112.2 |
1.3 |
0.801 |
0 |
0 |
0 |
0.000 |
| 22 |
63 |
|
N |
13 |
6 |
11973 |
◊ |
K |
x,y,z |
1_555 |
16 |
4 |
11583 |
111.0 |
-1.7 |
0.355 |
1 |
0 |
0 |
0.000 |
64 |
|
D |
12 |
6 |
11934 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
11371 |
110.2 |
-1.7 |
0.323 |
1 |
0 |
0 |
0.000 |
65 |
|
S |
13 |
6 |
11883 |
◊ |
P |
x,y,z |
1_555 |
17 |
5 |
11608 |
109.3 |
-1.8 |
0.343 |
1 |
0 |
0 |
0.000 |
66 |
|
I |
13 |
5 |
11960 |
◊ |
F |
x,y,z |
1_555 |
17 |
4 |
11511 |
107.0 |
-2.0 |
0.315 |
2 |
0 |
0 |
0.000 |
| Average: |
109.4 |
-1.8 |
0.334 |
1 |
0 |
0 |
0.000 |
| 23 |
67 |
|
E |
12 |
5 |
12880 |
◊ |
Q |
x,y,z |
1_555 |
11 |
4 |
11982 |
103.9 |
-1.0 |
0.425 |
0 |
0 |
0 |
0.000 |
68 |
|
J |
12 |
5 |
13038 |
◊ |
L |
x,y,z |
1_555 |
14 |
5 |
11909 |
98.3 |
-0.2 |
0.506 |
1 |
0 |
0 |
0.000 |
69 |
|
O |
12 |
5 |
12881 |
◊ |
G |
x,y,z |
1_555 |
12 |
4 |
11602 |
95.8 |
-0.9 |
0.414 |
0 |
0 |
0 |
0.000 |
70 |
|
T |
12 |
4 |
12891 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
11473 |
85.9 |
-0.2 |
0.540 |
0 |
0 |
0 |
0.000 |
| Average: |
96.0 |
-0.6 |
0.471 |
0 |
0 |
0 |
0.000 |
| 24 |
71 |
|
L |
7 |
3 |
11909 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
9 |
3 |
11934 |
77.7 |
0.3 |
0.556 |
1 |
0 |
0 |
0.000 |
72 |
|
I |
11 |
4 |
11960 |
◊ |
Q |
-x,y-1/2,-z-1 |
2_544 |
6 |
3 |
11982 |
62.5 |
1.0 |
0.754 |
0 |
0 |
0 |
0.000 |
| Average: |
70.1 |
0.6 |
0.655 |
1 |
0 |
0 |
0.000 |
| 25 |
73 |
|
K |
8 |
2 |
11583 |
◊ |
J |
x-1,y,z |
1_455 |
11 |
5 |
13038 |
68.7 |
0.9 |
0.800 |
0 |
0 |
0 |
0.000 |
| 26 |
74 |
|
K |
4 |
3 |
11583 |
◊ |
F |
-x,y-1/2,-z-1 |
2_544 |
6 |
3 |
11511 |
29.8 |
0.5 |
0.778 |
0 |
1 |
0 |
0.000 |
75 |
|
A |
4 |
3 |
11371 |
◊ |
P |
-x,y-1/2,-z |
2_545 |
5 |
3 |
11608 |
25.4 |
0.2 |
0.694 |
0 |
0 |
0 |
0.000 |
| Average: |
27.6 |
0.4 |
0.736 |
0 |
1 |
0 |
0.000 |
| 27 |
76 |
|
K |
1 |
1 |
11583 |
◊ |
P |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
1 |
11608 |
16.7 |
0.8 |
0.850 |
0 |
0 |
0 |
0.000 |
| 28 |
77 |
|
L |
2 |
1 |
11909 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
11602 |
16.5 |
1.0 |
0.905 |
0 |
0 |
0 |
0.000 |
78 |
|
Q |
1 |
1 |
11982 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11473 |
4.3 |
0.3 |
0.832 |
0 |
0 |
0 |
0.000 |
| Average: |
10.4 |
0.6 |
0.869 |
0 |
0 |
0 |
0.000 |
| 29 |
79 |
|
S |
3 |
2 |
11883 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
11934 |
11.5 |
0.3 |
0.760 |
0 |
0 |
0 |
0.000 |
80 |
|
N |
2 |
2 |
11973 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
11960 |
9.3 |
0.1 |
0.680 |
0 |
0 |
0 |
0.000 |
| Average: |
10.4 |
0.2 |
0.720 |
0 |
0 |
0 |
0.000 |
| 30 |
81 |
|
L |
2 |
1 |
11909 |
◊ |
G |
-x,y-1/2,-z-1 |
2_544 |
2 |
1 |
11602 |
7.1 |
-0.5 |
0.214 |
0 |
0 |
0 |
0.000 |
82 |
|
B |
1 |
1 |
11473 |
◊ |
Q |
-x,y-1/2,-z |
2_545 |
1 |
1 |
11982 |
1.7 |
0.1 |
0.738 |
0 |
0 |
0 |
0.000 |
| Average: |
4.4 |
-0.2 |
0.476 |
0 |
0 |
0 |
0.000 |
| 31 |
83 |
|
J |
2 |
2 |
13038 |
◊ |
E |
x,y,z-1 |
1_554 |
2 |
2 |
12880 |
6.6 |
-0.2 |
0.435 |
0 |
0 |
0 |
0.000 |
84 |
|
O |
1 |
1 |
12881 |
◊ |
T |
x,y,z-1 |
1_554 |
1 |
1 |
12891 |
4.4 |
-0.1 |
0.354 |
0 |
0 |
0 |
0.000 |
| Average: |
5.5 |
-0.2 |
0.394 |
0 |
0 |
0 |
0.000 |
| 32 |
85 |
|
O |
1 |
1 |
12881 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
11511 |
3.3 |
0.2 |
0.799 |
0 |
0 |
0 |
0.000 |
| 33 |
86 |
|
N |
1 |
1 |
11973 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
11511 |
0.9 |
0.0 |
0.713 |
0 |
0 |
0 |
0.000 |
87 |
|
D |
1 |
1 |
11934 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
11608 |
0.7 |
0.0 |
0.700 |
0 |
0 |
0 |
0.000 |
| Average: |
0.8 |
0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
|