| ## |
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 |
256 |
60 |
11818 |
◊ |
A |
x,y,z |
1_555 |
263 |
69 |
11158 |
2439.0 |
-21.6 |
0.184 |
36 |
9 |
0 |
1.000 |
2 |
|
E |
257 |
57 |
11669 |
◊ |
D |
x,y,z |
1_555 |
267 |
69 |
11114 |
2410.6 |
-24.2 |
0.177 |
38 |
11 |
0 |
1.000 |
3 |
|
H |
255 |
57 |
11788 |
◊ |
G |
x,y,z |
1_555 |
260 |
67 |
10996 |
2385.8 |
-24.5 |
0.219 |
34 |
7 |
0 |
1.000 |
4 |
|
N |
257 |
55 |
11628 |
◊ |
M |
x,y,z |
1_555 |
257 |
68 |
10827 |
2361.6 |
-23.4 |
0.210 |
38 |
8 |
0 |
1.000 |
5 |
|
K |
251 |
55 |
11737 |
◊ |
J |
x,y,z |
1_555 |
268 |
69 |
10816 |
2350.7 |
-24.2 |
0.277 |
32 |
8 |
0 |
1.000 |
6 |
|
Q |
250 |
56 |
11804 |
◊ |
P |
x,y,z |
1_555 |
261 |
67 |
10839 |
2349.7 |
-24.6 |
0.213 |
34 |
7 |
0 |
1.000 |
| Average: |
2382.9 |
-23.7 |
0.213 |
35 |
8 |
0 |
1.000 |
| 2 |
7 |
|
R |
67 |
14 |
2113 |
◊ |
Q |
x,y,z |
1_555 |
82 |
19 |
11804 |
679.5 |
-8.6 |
0.377 |
9 |
0 |
0 |
1.000 |
| 3 |
8 |
|
O |
69 |
14 |
2139 |
◊ |
N |
x,y,z |
1_555 |
86 |
20 |
11628 |
677.4 |
-8.3 |
0.378 |
10 |
1 |
0 |
1.000 |
9 |
|
F |
71 |
13 |
2144 |
◊ |
E |
x,y,z |
1_555 |
85 |
20 |
11669 |
675.9 |
-8.5 |
0.406 |
10 |
1 |
0 |
1.000 |
10 |
|
C |
64 |
13 |
2149 |
◊ |
B |
x,y,z |
1_555 |
85 |
21 |
11818 |
670.8 |
-8.1 |
0.403 |
10 |
1 |
0 |
1.000 |
11 |
|
L |
61 |
13 |
2073 |
◊ |
K |
x,y,z |
1_555 |
84 |
20 |
11737 |
656.6 |
-8.1 |
0.401 |
9 |
1 |
0 |
1.000 |
| Average: |
670.2 |
-8.2 |
0.397 |
10 |
1 |
0 |
1.000 |
| 4 |
12 |
|
I |
56 |
11 |
1783 |
◊ |
H |
x,y,z |
1_555 |
74 |
19 |
11788 |
601.5 |
-6.9 |
0.405 |
7 |
1 |
0 |
1.000 |
| 5 |
13 |
|
C |
55 |
13 |
2149 |
◊ |
A |
x,y,z |
1_555 |
64 |
21 |
11158 |
567.8 |
-5.8 |
0.540 |
10 |
0 |
0 |
1.000 |
14 |
|
F |
61 |
13 |
2144 |
◊ |
D |
x,y,z |
1_555 |
63 |
21 |
11114 |
565.3 |
-5.4 |
0.612 |
11 |
0 |
0 |
1.000 |
15 |
|
L |
58 |
13 |
2073 |
◊ |
J |
x,y,z |
1_555 |
66 |
21 |
10816 |
556.2 |
-5.4 |
0.631 |
11 |
0 |
0 |
1.000 |
16 |
|
O |
59 |
13 |
2139 |
◊ |
M |
x,y,z |
1_555 |
61 |
21 |
10827 |
550.4 |
-5.2 |
0.628 |
12 |
0 |
0 |
1.000 |
| Average: |
559.9 |
-5.5 |
0.603 |
11 |
0 |
0 |
1.000 |
| 6 |
17 |
|
R |
56 |
13 |
2113 |
◊ |
P |
x,y,z |
1_555 |
63 |
21 |
10839 |
554.3 |
-5.0 |
0.674 |
12 |
0 |
0 |
1.000 |
| 7 |
18 |
|
I |
51 |
11 |
1783 |
◊ |
G |
x,y,z |
1_555 |
59 |
21 |
10996 |
518.3 |
-5.1 |
0.594 |
10 |
0 |
0 |
1.000 |
| 8 |
19 |
|
K |
39 |
14 |
11737 |
◊ |
G |
x,y,z |
1_555 |
49 |
16 |
10996 |
421.4 |
-1.6 |
0.662 |
5 |
5 |
0 |
0.000 |
20 |
|
H |
41 |
15 |
11788 |
◊ |
J |
x,y,z |
1_555 |
49 |
16 |
10816 |
384.9 |
-2.3 |
0.576 |
1 |
2 |
0 |
0.000 |
21 |
|
Q |
37 |
14 |
11804 |
◊ |
M |
x,y,z |
1_555 |
48 |
16 |
10827 |
382.4 |
-1.2 |
0.659 |
2 |
4 |
0 |
0.000 |
22 |
|
B |
33 |
11 |
11818 |
◊ |
D |
x,y,z |
1_555 |
47 |
15 |
11114 |
374.3 |
-0.2 |
0.739 |
3 |
4 |
0 |
0.000 |
23 |
|
E |
39 |
14 |
11669 |
◊ |
A |
x,y,z |
1_555 |
43 |
15 |
11158 |
362.4 |
-2.4 |
0.502 |
1 |
1 |
0 |
0.000 |
24 |
|
N |
37 |
13 |
11628 |
◊ |
P |
x,y,z |
1_555 |
47 |
17 |
10839 |
350.1 |
-1.3 |
0.642 |
0 |
2 |
0 |
0.000 |
| Average: |
379.3 |
-1.5 |
0.630 |
2 |
3 |
0 |
0.000 |
| 9 |
25 |
|
M |
42 |
15 |
10827 |
◊ |
G |
x,y,z |
1_555 |
46 |
18 |
10996 |
351.9 |
-1.0 |
0.766 |
4 |
3 |
0 |
0.000 |
| 10 |
26 |
|
H |
45 |
12 |
11788 |
◊ |
A |
x,y,z-1 |
1_554 |
31 |
7 |
11158 |
327.8 |
-0.3 |
0.690 |
4 |
2 |
0 |
0.000 |
27 |
|
E |
45 |
12 |
11669 |
◊ |
M |
x,y,z |
1_555 |
30 |
7 |
10827 |
327.4 |
-0.4 |
0.705 |
3 |
3 |
0 |
0.000 |
28 |
|
N |
46 |
12 |
11628 |
◊ |
D |
x,y,z-1 |
1_554 |
29 |
7 |
11114 |
327.3 |
-0.4 |
0.659 |
3 |
2 |
0 |
0.000 |
29 |
|
G |
29 |
7 |
10996 |
◊ |
B |
x-1,y,z-1 |
1_454 |
44 |
12 |
11818 |
325.9 |
-0.2 |
0.726 |
3 |
2 |
0 |
0.000 |
| Average: |
327.1 |
-0.3 |
0.695 |
3 |
2 |
0 |
0.000 |
| 11 |
30 |
|
P |
30 |
12 |
10839 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
38 |
13 |
11158 |
321.7 |
-1.4 |
0.660 |
4 |
4 |
0 |
0.000 |
| 12 |
31 |
|
N |
23 |
9 |
11628 |
◊ |
H |
-x,y-1/2,-z-1 |
2_544 |
27 |
8 |
11788 |
207.7 |
0.7 |
0.723 |
3 |
0 |
0 |
0.000 |
| 13 |
32 |
|
Q |
23 |
6 |
11804 |
◊ |
J |
-x-1,y-1/2,-z-1 |
2_444 |
22 |
5 |
10816 |
207.4 |
-2.2 |
0.385 |
1 |
0 |
0 |
0.000 |
| 14 |
33 |
|
Q |
23 |
5 |
11804 |
◊ |
N |
x,y,z |
1_555 |
24 |
7 |
11628 |
206.6 |
-0.3 |
0.592 |
2 |
3 |
0 |
0.000 |
34 |
|
E |
22 |
5 |
11669 |
◊ |
B |
x,y,z |
1_555 |
21 |
5 |
11818 |
190.0 |
-0.3 |
0.607 |
1 |
2 |
0 |
0.000 |
35 |
|
K |
17 |
6 |
11737 |
◊ |
H |
x,y,z |
1_555 |
17 |
6 |
11788 |
162.7 |
-1.6 |
0.378 |
2 |
0 |
0 |
0.000 |
| Average: |
186.4 |
-0.8 |
0.526 |
2 |
2 |
0 |
0.000 |
| 15 |
36 |
|
P |
23 |
6 |
10839 |
◊ |
K |
-x,y-1/2,-z |
2_545 |
26 |
5 |
11737 |
197.5 |
-1.5 |
0.542 |
0 |
0 |
0 |
0.000 |
| 16 |
37 |
|
D |
17 |
6 |
11114 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
24 |
9 |
10816 |
164.9 |
2.0 |
0.885 |
3 |
4 |
0 |
0.000 |
| 17 |
38 |
|
Q |
24 |
5 |
11804 |
◊ |
D |
x,y,z |
1_555 |
15 |
3 |
11114 |
155.5 |
-2.0 |
0.306 |
0 |
0 |
0 |
0.000 |
39 |
|
M |
9 |
3 |
10827 |
◊ |
B |
x,y,z-1 |
1_554 |
20 |
4 |
11818 |
126.9 |
-2.5 |
0.232 |
0 |
0 |
0 |
0.000 |
40 |
|
G |
2 |
1 |
10996 |
◊ |
E |
x,y,z-1 |
1_554 |
10 |
3 |
11669 |
45.7 |
-1.3 |
0.132 |
0 |
0 |
0 |
0.000 |
41 |
|
K |
4 |
2 |
11737 |
◊ |
A |
x-1,y,z-1 |
1_454 |
2 |
1 |
11158 |
15.0 |
-0.4 |
0.388 |
0 |
0 |
0 |
0.000 |
| Average: |
85.8 |
-1.5 |
0.264 |
0 |
0 |
0 |
0.000 |
| 18 |
42 |
|
P |
16 |
3 |
10839 |
◊ |
J |
-x,y-1/2,-z-1 |
2_544 |
14 |
3 |
10816 |
117.9 |
-1.4 |
0.499 |
1 |
0 |
0 |
0.000 |
| 19 |
43 |
|
O |
6 |
2 |
2139 |
◊ |
D |
x-1,y,z-1 |
1_454 |
13 |
3 |
11114 |
89.5 |
-0.4 |
0.642 |
1 |
0 |
0 |
0.000 |
| 20 |
44 |
|
Q |
5 |
2 |
11804 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
11 |
4 |
2073 |
88.5 |
1.1 |
0.842 |
0 |
0 |
0 |
0.000 |
| 21 |
45 |
|
Q |
7 |
2 |
11804 |
◊ |
K |
-x,y-1/2,-z-1 |
2_544 |
8 |
2 |
11737 |
79.8 |
-1.8 |
0.195 |
0 |
0 |
0 |
0.000 |
| 22 |
46 |
|
J |
6 |
2 |
10816 |
◊ |
G |
x,y,z |
1_555 |
8 |
2 |
10996 |
70.9 |
2.1 |
0.946 |
2 |
2 |
0 |
0.000 |
47 |
|
P |
6 |
2 |
10839 |
◊ |
M |
x,y,z |
1_555 |
7 |
2 |
10827 |
68.9 |
2.1 |
0.946 |
2 |
2 |
0 |
0.000 |
48 |
|
D |
7 |
2 |
11114 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
11158 |
66.3 |
2.2 |
0.942 |
2 |
2 |
0 |
0.000 |
| Average: |
68.7 |
2.1 |
0.944 |
2 |
2 |
0 |
0.000 |
| 23 |
49 |
|
Q |
11 |
5 |
11804 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
6 |
4 |
10816 |
68.8 |
0.3 |
0.707 |
0 |
0 |
0 |
0.000 |
| 24 |
50 |
|
B |
10 |
4 |
11818 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
10996 |
66.3 |
0.5 |
0.711 |
1 |
0 |
0 |
0.000 |
51 |
|
M |
4 |
2 |
10827 |
◊ |
E |
x-1,y,z-1 |
1_454 |
7 |
3 |
11669 |
34.7 |
-0.8 |
0.380 |
0 |
0 |
0 |
0.000 |
| Average: |
50.5 |
-0.2 |
0.545 |
1 |
0 |
0 |
0.000 |
| 25 |
52 |
|
Q |
4 |
2 |
11804 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
11669 |
65.8 |
-0.2 |
0.575 |
1 |
0 |
0 |
0.000 |
53 |
|
N |
7 |
3 |
11628 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
2 |
11818 |
47.3 |
0.4 |
0.688 |
0 |
0 |
0 |
0.000 |
54 |
|
K |
2 |
1 |
11737 |
◊ |
B |
x-1,y,z-1 |
1_454 |
1 |
1 |
11818 |
28.0 |
0.3 |
0.237 |
0 |
0 |
0 |
0.000 |
| Average: |
47.0 |
0.2 |
0.500 |
0 |
0 |
0 |
0.000 |
| 26 |
55 |
|
F |
7 |
3 |
2144 |
◊ |
M |
x,y,z |
1_555 |
8 |
4 |
10827 |
60.8 |
-0.2 |
0.663 |
0 |
0 |
0 |
0.000 |
56 |
|
G |
2 |
2 |
10996 |
◊ |
C |
x-1,y,z-1 |
1_454 |
3 |
2 |
2149 |
8.5 |
0.1 |
0.626 |
0 |
0 |
0 |
0.000 |
| Average: |
34.6 |
-0.0 |
0.644 |
0 |
0 |
0 |
0.000 |
| 27 |
57 |
|
P |
6 |
2 |
10839 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
7 |
2 |
2073 |
58.5 |
1.1 |
0.849 |
2 |
2 |
0 |
0.000 |
| 28 |
58 |
|
I |
9 |
2 |
1783 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
1 |
11818 |
55.1 |
-0.3 |
0.376 |
1 |
0 |
0 |
0.000 |
| 29 |
59 |
|
P |
5 |
2 |
10839 |
◊ |
H |
-x,y-1/2,-z-1 |
2_544 |
6 |
1 |
11788 |
46.0 |
0.5 |
0.751 |
1 |
0 |
0 |
0.000 |
| 30 |
60 |
|
I |
5 |
2 |
1783 |
◊ |
A |
x,y,z-1 |
1_554 |
8 |
4 |
11158 |
45.4 |
-0.4 |
0.558 |
0 |
0 |
0 |
0.000 |
| 31 |
61 |
|
Q |
5 |
2 |
11804 |
◊ |
E |
x-1,y,z-1 |
1_454 |
5 |
1 |
11669 |
43.2 |
1.3 |
0.880 |
0 |
0 |
0 |
0.000 |
| 32 |
62 |
|
M |
4 |
3 |
10827 |
◊ |
B |
x-1,y,z-1 |
1_454 |
5 |
2 |
11818 |
39.8 |
1.2 |
0.878 |
1 |
1 |
0 |
0.000 |
63 |
|
E |
3 |
1 |
11669 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
10996 |
17.6 |
0.2 |
0.692 |
0 |
0 |
0 |
0.000 |
| Average: |
28.7 |
0.7 |
0.785 |
1 |
1 |
0 |
0.000 |
| 33 |
64 |
|
N |
5 |
3 |
11628 |
◊ |
K |
-x,y-1/2,-z-1 |
2_544 |
4 |
1 |
11737 |
39.6 |
2.0 |
0.933 |
0 |
0 |
0 |
0.000 |
| 34 |
65 |
|
G |
4 |
2 |
10996 |
◊ |
B |
x,y,z-1 |
1_554 |
10 |
3 |
11818 |
32.9 |
0.2 |
0.688 |
0 |
0 |
0 |
0.000 |
66 |
|
M |
1 |
1 |
10827 |
◊ |
E |
x,y,z-1 |
1_554 |
1 |
1 |
11669 |
3.5 |
-0.0 |
0.547 |
0 |
0 |
0 |
0.000 |
| Average: |
18.2 |
0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
| 35 |
67 |
|
N |
6 |
2 |
11628 |
◊ |
J |
-x,y-1/2,-z-1 |
2_544 |
4 |
2 |
10816 |
29.5 |
0.4 |
0.738 |
0 |
0 |
0 |
0.000 |
| 36 |
68 |
|
R |
4 |
2 |
2113 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
5 |
2 |
11158 |
28.6 |
-0.1 |
0.604 |
0 |
0 |
0 |
0.000 |
| 37 |
69 |
|
H |
1 |
1 |
11788 |
◊ |
E |
x,y,z-1 |
1_554 |
2 |
1 |
11669 |
27.4 |
-0.3 |
0.217 |
0 |
0 |
0 |
0.000 |
| 38 |
70 |
|
H |
2 |
1 |
11788 |
◊ |
C |
x-1,y,z-1 |
1_454 |
4 |
2 |
2149 |
25.6 |
-0.3 |
0.358 |
0 |
0 |
0 |
0.000 |
| 39 |
71 |
|
O |
3 |
1 |
2139 |
◊ |
D |
x,y,z-1 |
1_554 |
3 |
2 |
11114 |
21.4 |
-0.3 |
0.458 |
0 |
0 |
0 |
0.000 |
| 40 |
72 |
|
O |
5 |
2 |
2139 |
◊ |
E |
x,y,z-1 |
1_554 |
2 |
1 |
11669 |
19.3 |
0.4 |
0.782 |
0 |
0 |
0 |
0.000 |
| 41 |
73 |
|
K |
2 |
2 |
11737 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11818 |
15.9 |
0.7 |
0.851 |
0 |
0 |
0 |
0.000 |
| 42 |
74 |
|
Q |
4 |
3 |
11804 |
◊ |
J |
-x,y-1/2,-z-1 |
2_544 |
4 |
2 |
10816 |
14.1 |
-0.5 |
0.453 |
0 |
0 |
0 |
0.000 |
| 43 |
75 |
|
P |
4 |
2 |
10839 |
◊ |
K |
-x,y-1/2,-z-1 |
2_544 |
3 |
2 |
11737 |
11.8 |
-0.4 |
0.462 |
0 |
0 |
0 |
0.000 |
| 44 |
76 |
|
R |
1 |
1 |
2113 |
◊ |
J |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
10816 |
11.1 |
-0.0 |
0.432 |
0 |
0 |
0 |
0.000 |
| 45 |
77 |
|
G |
1 |
1 |
10996 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
11158 |
5.0 |
0.0 |
0.678 |
0 |
0 |
0 |
0.000 |
| 46 |
78 |
|
D |
1 |
1 |
11114 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
1 |
1 |
2073 |
4.5 |
0.1 |
0.608 |
0 |
0 |
0 |
0.000 |
| 47 |
79 |
|
Q |
1 |
1 |
11804 |
◊ |
H |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
11788 |
1.2 |
-0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
|