## |
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 |
203 |
49 |
7294 |
◊ |
A |
x,y,z |
1_555 |
202 |
50 |
7554 |
1882.2 |
-13.4 |
0.286 |
42 |
19 |
0 |
1.000 |
2 |
|
J |
198 |
51 |
7577 |
◊ |
I |
x,y,z |
1_555 |
185 |
50 |
7246 |
1794.0 |
-16.2 |
0.246 |
44 |
20 |
0 |
1.000 |
3 |
|
F |
187 |
44 |
6669 |
◊ |
E |
x,y,z |
1_555 |
188 |
45 |
7331 |
1711.5 |
-13.6 |
0.335 |
41 |
20 |
0 |
1.000 |
4 |
|
N |
182 |
43 |
7008 |
◊ |
M |
x,y,z |
1_555 |
187 |
44 |
7606 |
1679.8 |
-12.2 |
0.359 |
36 |
11 |
0 |
1.000 |
5 |
|
D |
183 |
46 |
7616 |
◊ |
C |
x,y,z |
1_555 |
173 |
41 |
6813 |
1670.1 |
-15.7 |
0.225 |
46 |
21 |
0 |
1.000 |
6 |
|
H |
170 |
44 |
6750 |
◊ |
G |
x,y,z |
1_555 |
172 |
41 |
7527 |
1670.0 |
-15.6 |
0.231 |
36 |
19 |
0 |
1.000 |
7 |
|
L |
153 |
43 |
6930 |
◊ |
K |
x,y,z |
1_555 |
161 |
43 |
7970 |
1461.7 |
-15.4 |
0.384 |
25 |
14 |
0 |
1.000 |
Average: |
1695.6 |
-14.6 |
0.295 |
39 |
18 |
0 |
1.000 |
2 |
8 |
|
G |
87 |
23 |
7527 |
◊ |
J |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
84 |
22 |
7577 |
810.2 |
-6.6 |
0.386 |
5 |
1 |
0 |
0.004 |
9 |
|
L |
72 |
21 |
6930 |
◊ |
C |
x,y,z |
1_555 |
70 |
21 |
6813 |
625.6 |
-4.8 |
0.663 |
2 |
3 |
0 |
0.004 |
Average: |
717.9 |
-5.7 |
0.525 |
4 |
2 |
0 |
0.004 |
3 |
10 |
|
F |
71 |
22 |
6669 |
◊ |
D |
x,y,z |
1_555 |
72 |
20 |
7616 |
609.5 |
-7.3 |
0.252 |
1 |
0 |
0 |
0.005 |
11 |
|
N |
59 |
16 |
7008 |
◊ |
I |
x,y,z |
1_555 |
63 |
15 |
7246 |
544.5 |
-2.3 |
0.572 |
4 |
2 |
0 |
0.005 |
12 |
|
H |
59 |
17 |
6750 |
◊ |
B |
x,y,z |
1_555 |
55 |
14 |
7294 |
538.2 |
-5.4 |
0.347 |
1 |
5 |
0 |
0.005 |
Average: |
564.0 |
-5.0 |
0.390 |
2 |
2 |
0 |
0.005 |
4 |
13 |
|
G |
41 |
11 |
7527 |
◊ |
B |
x,y,z |
1_555 |
52 |
14 |
7294 |
430.5 |
-0.4 |
0.579 |
2 |
0 |
0 |
0.001 |
14 |
|
E |
39 |
8 |
7331 |
◊ |
D |
x,y,z |
1_555 |
47 |
11 |
7616 |
394.1 |
0.0 |
0.682 |
4 |
1 |
0 |
0.001 |
15 |
|
H |
43 |
11 |
6750 |
◊ |
A |
x,y,z |
1_555 |
42 |
9 |
7554 |
371.4 |
-1.3 |
0.539 |
4 |
2 |
0 |
0.001 |
16 |
|
N |
39 |
10 |
7008 |
◊ |
J |
x,y,z |
1_555 |
30 |
7 |
7577 |
319.5 |
-0.1 |
0.691 |
6 |
1 |
0 |
0.001 |
17 |
|
K |
19 |
4 |
7970 |
◊ |
C |
x,y,z |
1_555 |
29 |
10 |
6813 |
236.7 |
0.8 |
0.723 |
3 |
2 |
0 |
0.001 |
18 |
|
M |
23 |
5 |
7606 |
◊ |
I |
x,y,z |
1_555 |
30 |
8 |
7246 |
234.3 |
-0.9 |
0.490 |
1 |
0 |
0 |
0.001 |
19 |
|
G |
9 |
3 |
7527 |
◊ |
I |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
12 |
4 |
7246 |
90.1 |
-0.6 |
0.459 |
0 |
0 |
0 |
0.001 |
20 |
|
F |
10 |
5 |
6669 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
6813 |
74.9 |
1.3 |
0.804 |
1 |
1 |
0 |
0.001 |
21 |
|
H |
1 |
1 |
6750 |
◊ |
J |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
3 |
1 |
7577 |
17.9 |
0.6 |
0.872 |
0 |
0 |
0 |
0.001 |
Average: |
241.0 |
-0.1 |
0.649 |
2 |
1 |
0 |
0.001 |
5 |
22 |
|
Q |
31 |
5 |
880 |
◊ |
C |
x,y,z |
1_555 |
54 |
16 |
6813 |
415.0 |
-4.8 |
0.518 |
5 |
0 |
0 |
1.000 |
23 |
|
U |
27 |
5 |
812 |
◊ |
K |
x,y,z |
1_555 |
49 |
15 |
7970 |
375.3 |
-5.5 |
0.443 |
3 |
2 |
0 |
1.000 |
Average: |
395.2 |
-5.1 |
0.481 |
4 |
1 |
0 |
1.000 |
6 |
24 |
|
K |
48 |
14 |
7970 |
◊ |
G |
x,y,z |
1_555 |
48 |
13 |
7527 |
402.9 |
-0.2 |
0.585 |
7 |
0 |
0 |
0.000 |
25 |
|
D |
36 |
10 |
7616 |
◊ |
A |
x,y,z |
1_555 |
41 |
13 |
7554 |
324.1 |
-1.8 |
0.478 |
3 |
0 |
0 |
0.000 |
Average: |
363.5 |
-1.0 |
0.531 |
5 |
0 |
0 |
0.000 |
7 |
26 |
|
M |
38 |
11 |
7606 |
◊ |
M |
x,-y,-z |
4_555 |
38 |
11 |
7606 |
386.9 |
3.3 |
0.868 |
1 |
2 |
0 |
0.000 |
8 |
27 |
|
R |
28 |
5 |
862 |
◊ |
E |
x,y,z |
1_555 |
46 |
15 |
7331 |
379.6 |
-5.3 |
0.419 |
4 |
2 |
0 |
1.000 |
28 |
|
W |
29 |
5 |
800 |
◊ |
N |
x,y,z |
1_555 |
51 |
16 |
7008 |
370.6 |
-5.6 |
0.563 |
3 |
1 |
0 |
1.000 |
29 |
|
V |
27 |
5 |
749 |
◊ |
M |
x,y,z |
1_555 |
48 |
14 |
7606 |
364.6 |
-6.1 |
0.560 |
2 |
0 |
0 |
1.000 |
30 |
|
O |
25 |
5 |
868 |
◊ |
A |
x,y,z |
1_555 |
46 |
15 |
7554 |
363.3 |
-5.5 |
0.344 |
5 |
2 |
0 |
1.000 |
31 |
|
S |
28 |
5 |
857 |
◊ |
F |
x,y,z |
1_555 |
53 |
15 |
6669 |
358.1 |
-5.4 |
0.460 |
4 |
0 |
0 |
1.000 |
32 |
|
P |
27 |
5 |
854 |
◊ |
B |
x,y,z |
1_555 |
48 |
14 |
7294 |
353.0 |
-4.9 |
0.425 |
5 |
1 |
0 |
1.000 |
33 |
|
T |
30 |
5 |
846 |
◊ |
I |
x,y,z |
1_555 |
46 |
16 |
7246 |
352.8 |
-5.5 |
0.400 |
3 |
1 |
0 |
1.000 |
Average: |
363.1 |
-5.5 |
0.453 |
4 |
1 |
0 |
1.000 |
9 |
34 |
|
H |
34 |
11 |
6750 |
◊ |
E |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
42 |
13 |
7331 |
339.3 |
-2.4 |
0.404 |
3 |
0 |
0 |
0.000 |
35 |
|
I |
40 |
11 |
7246 |
◊ |
C |
x,y,z |
1_555 |
36 |
9 |
6813 |
326.3 |
-0.6 |
0.597 |
3 |
0 |
0 |
0.000 |
Average: |
332.8 |
-1.5 |
0.500 |
3 |
0 |
0 |
0.000 |
10 |
36 |
|
E |
32 |
11 |
7331 |
◊ |
J |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
37 |
10 |
7577 |
322.3 |
-2.6 |
0.469 |
2 |
0 |
0 |
0.000 |
11 |
37 |
|
L |
31 |
8 |
6930 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
32 |
11 |
7554 |
282.1 |
-1.8 |
0.580 |
0 |
0 |
0 |
0.000 |
12 |
38 |
|
C |
27 |
10 |
6813 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
31 |
8 |
7554 |
268.2 |
0.2 |
0.518 |
5 |
1 |
0 |
0.000 |
39 |
|
G |
27 |
9 |
7527 |
◊ |
E |
x,-y-1,-z |
4_545 |
30 |
8 |
7331 |
259.6 |
-0.7 |
0.503 |
4 |
0 |
0 |
0.000 |
Average: |
263.9 |
-0.2 |
0.510 |
5 |
1 |
0 |
0.000 |
13 |
40 |
|
S |
19 |
5 |
857 |
◊ |
M |
x-1/2,y-1/2,z |
5_445 |
23 |
6 |
7606 |
200.1 |
-2.7 |
0.462 |
2 |
0 |
0 |
0.000 |
14 |
41 |
|
A |
22 |
6 |
7554 |
◊ |
A |
x,-y-1,-z |
4_545 |
22 |
6 |
7554 |
190.8 |
-0.3 |
0.584 |
0 |
0 |
0 |
0.000 |
42 |
|
E |
19 |
8 |
7331 |
◊ |
E |
-x-1,y,-z+1/2 |
3_455 |
19 |
8 |
7331 |
118.7 |
0.4 |
0.714 |
0 |
0 |
0 |
0.000 |
Average: |
154.8 |
0.0 |
0.649 |
0 |
0 |
0 |
0.000 |
15 |
43 |
|
I |
20 |
7 |
7246 |
◊ |
B |
x-1/2,-y-1/2,-z |
8_445 |
19 |
5 |
7294 |
162.9 |
-0.4 |
0.591 |
2 |
0 |
0 |
0.000 |
44 |
|
K |
18 |
7 |
7970 |
◊ |
F |
x,-y-1,-z |
4_545 |
21 |
5 |
6669 |
153.7 |
-0.5 |
0.573 |
2 |
0 |
0 |
0.000 |
Average: |
158.3 |
-0.5 |
0.582 |
2 |
0 |
0 |
0.000 |
16 |
45 |
|
F |
21 |
7 |
6669 |
◊ |
M |
x-1/2,y-1/2,z |
5_445 |
17 |
7 |
7606 |
152.8 |
-0.3 |
0.571 |
3 |
2 |
0 |
0.000 |
17 |
46 |
|
D |
17 |
6 |
7616 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
7294 |
151.5 |
-1.9 |
0.277 |
1 |
0 |
0 |
0.000 |
47 |
|
L |
12 |
3 |
6930 |
◊ |
G |
x,y,z |
1_555 |
20 |
6 |
7527 |
149.3 |
-2.1 |
0.344 |
1 |
0 |
0 |
0.000 |
Average: |
150.4 |
-2.0 |
0.310 |
1 |
0 |
0 |
0.000 |
18 |
48 |
|
H |
20 |
6 |
6750 |
◊ |
F |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
11 |
3 |
6669 |
149.0 |
-2.2 |
0.232 |
1 |
0 |
0 |
0.000 |
19 |
49 |
|
J |
10 |
3 |
7577 |
◊ |
C |
x,y,z |
1_555 |
20 |
6 |
6813 |
141.6 |
-2.1 |
0.236 |
1 |
0 |
0 |
0.000 |
20 |
50 |
|
L |
17 |
7 |
6930 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
7616 |
139.5 |
0.6 |
0.774 |
3 |
1 |
0 |
0.000 |
21 |
51 |
|
H |
17 |
6 |
6750 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
6813 |
138.5 |
-2.4 |
0.305 |
0 |
0 |
0 |
0.000 |
22 |
52 |
|
F |
16 |
6 |
6669 |
◊ |
F |
x,-y-1,-z |
4_545 |
16 |
6 |
6669 |
130.7 |
0.5 |
0.723 |
0 |
0 |
0 |
0.000 |
23 |
53 |
|
R |
10 |
2 |
862 |
◊ |
E |
-x-1,y,-z+1/2 |
3_455 |
11 |
4 |
7331 |
100.9 |
-0.3 |
0.679 |
0 |
0 |
0 |
0.000 |
54 |
|
O |
9 |
2 |
868 |
◊ |
A |
x,-y-1,-z |
4_545 |
12 |
4 |
7554 |
91.6 |
0.3 |
0.737 |
1 |
1 |
0 |
0.000 |
Average: |
96.3 |
0.0 |
0.708 |
1 |
1 |
0 |
0.000 |
24 |
55 |
|
N |
11 |
5 |
7008 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
6813 |
94.0 |
0.0 |
0.647 |
0 |
1 |
0 |
0.000 |
25 |
56 |
|
J |
8 |
3 |
7577 |
◊ |
B |
x-1/2,-y-1/2,-z |
8_445 |
13 |
5 |
7294 |
80.5 |
-1.6 |
0.280 |
0 |
0 |
0 |
0.000 |
26 |
57 |
|
L |
8 |
3 |
6930 |
◊ |
F |
x,-y-1,-z |
4_545 |
10 |
4 |
6669 |
73.3 |
-1.4 |
0.367 |
0 |
0 |
0 |
0.000 |
27 |
58 |
|
E |
12 |
3 |
7331 |
◊ |
I |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
7 |
3 |
7246 |
71.0 |
-0.7 |
0.473 |
2 |
0 |
0 |
0.000 |
28 |
59 |
|
K |
6 |
3 |
7970 |
◊ |
M |
x-1/2,-y-1/2,-z |
8_445 |
6 |
2 |
7606 |
67.0 |
2.8 |
0.940 |
2 |
2 |
0 |
0.000 |
29 |
60 |
|
O |
7 |
1 |
868 |
◊ |
O |
x,-y-1,-z |
4_545 |
7 |
1 |
868 |
62.0 |
0.2 |
0.781 |
0 |
0 |
0 |
0.000 |
61 |
|
R |
4 |
1 |
862 |
◊ |
R |
-x-1,y,-z+1/2 |
3_455 |
4 |
1 |
862 |
35.9 |
0.0 |
0.712 |
0 |
0 |
0 |
0.000 |
Average: |
49.0 |
0.1 |
0.746 |
0 |
0 |
0 |
0.000 |
30 |
62 |
|
I |
7 |
3 |
7246 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
6 |
2 |
7554 |
51.7 |
-0.9 |
0.321 |
0 |
0 |
0 |
0.000 |
63 |
|
K |
6 |
3 |
7970 |
◊ |
E |
x,-y-1,-z |
4_545 |
6 |
2 |
7331 |
49.2 |
-0.7 |
0.390 |
0 |
0 |
0 |
0.000 |
Average: |
50.4 |
-0.8 |
0.356 |
0 |
0 |
0 |
0.000 |
31 |
64 |
|
U |
6 |
1 |
812 |
◊ |
M |
x-1/2,-y-1/2,-z |
8_445 |
5 |
1 |
7606 |
49.1 |
0.2 |
0.768 |
0 |
0 |
0 |
0.000 |
32 |
65 |
|
R |
3 |
1 |
862 |
◊ |
M |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
6 |
2 |
7606 |
47.5 |
-0.0 |
0.613 |
0 |
0 |
0 |
0.000 |
33 |
66 |
|
C |
5 |
2 |
6813 |
◊ |
B |
x-1/2,-y-1/2,-z |
8_445 |
7 |
3 |
7294 |
47.4 |
0.2 |
0.703 |
1 |
0 |
0 |
0.000 |
67 |
|
G |
5 |
2 |
7527 |
◊ |
F |
x,-y-1,-z |
4_545 |
9 |
3 |
6669 |
45.5 |
0.1 |
0.666 |
1 |
0 |
0 |
0.000 |
Average: |
46.4 |
0.2 |
0.685 |
1 |
0 |
0 |
0.000 |
34 |
68 |
|
B |
3 |
1 |
7294 |
◊ |
A |
x,-y-1,-z |
4_545 |
6 |
3 |
7554 |
39.7 |
-0.5 |
0.292 |
0 |
0 |
0 |
0.000 |
35 |
69 |
|
B |
3 |
2 |
7294 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
3 |
2 |
7294 |
37.2 |
-1.1 |
0.161 |
0 |
0 |
0 |
0.000 |
36 |
70 |
|
W |
2 |
1 |
800 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
7577 |
36.1 |
0.1 |
0.575 |
0 |
0 |
0 |
0.000 |
71 |
|
P |
2 |
1 |
854 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
7527 |
14.0 |
-0.2 |
0.348 |
0 |
0 |
0 |
0.000 |
Average: |
25.0 |
-0.0 |
0.461 |
0 |
0 |
0 |
0.000 |
37 |
72 |
|
T |
2 |
1 |
846 |
◊ |
M |
x,y,z |
1_555 |
3 |
1 |
7606 |
28.2 |
0.4 |
0.599 |
0 |
0 |
0 |
0.000 |
38 |
73 |
|
F |
5 |
2 |
6669 |
◊ |
E |
-x-1,y,-z+1/2 |
3_455 |
4 |
2 |
7331 |
27.2 |
-0.3 |
0.528 |
0 |
0 |
0 |
0.000 |
39 |
74 |
|
R |
2 |
1 |
862 |
◊ |
N |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
3 |
2 |
7008 |
25.8 |
-0.6 |
0.424 |
0 |
0 |
0 |
0.000 |
40 |
75 |
|
K |
3 |
1 |
7970 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
1 |
1 |
7554 |
24.6 |
-0.8 |
0.151 |
0 |
0 |
0 |
0.000 |
41 |
76 |
|
K |
1 |
1 |
7970 |
◊ |
W |
x-1/2,-y-1/2,-z |
8_445 |
1 |
1 |
800 |
23.8 |
0.5 |
0.890 |
1 |
0 |
0 |
0.000 |
42 |
77 |
|
K |
2 |
1 |
7970 |
◊ |
V |
x-1/2,-y-1/2,-z |
8_445 |
3 |
1 |
749 |
15.3 |
0.3 |
0.815 |
0 |
0 |
0 |
0.000 |
43 |
78 |
|
E |
2 |
2 |
7331 |
◊ |
N |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
2 |
1 |
7008 |
15.2 |
-0.5 |
0.302 |
0 |
0 |
0 |
0.000 |
44 |
79 |
|
K |
2 |
1 |
7970 |
◊ |
N |
x-1/2,-y-1/2,-z |
8_445 |
2 |
1 |
7008 |
12.5 |
0.1 |
0.671 |
0 |
0 |
0 |
0.000 |
45 |
80 |
|
L |
1 |
1 |
6930 |
◊ |
H |
x-1/2,-y-1/2,-z |
8_445 |
1 |
1 |
6750 |
11.8 |
0.3 |
0.484 |
0 |
0 |
0 |
0.000 |
46 |
81 |
|
G |
3 |
2 |
7527 |
◊ |
D |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
3 |
2 |
7616 |
11.0 |
-0.2 |
0.506 |
0 |
0 |
0 |
0.000 |
47 |
82 |
|
V |
1 |
1 |
749 |
◊ |
M |
x,-y,-z |
4_555 |
1 |
1 |
7606 |
9.4 |
-0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
48 |
83 |
|
Q |
1 |
1 |
880 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
7246 |
7.7 |
0.4 |
0.806 |
0 |
0 |
0 |
0.000 |
49 |
84 |
|
E |
1 |
1 |
7331 |
◊ |
M |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
1 |
1 |
7606 |
1.4 |
-0.0 |
0.589 |
0 |
0 |
0 |
0.000 |
50 |
85 |
|
Q |
2 |
1 |
880 |
◊ |
N |
x,y,z |
1_555 |
2 |
2 |
7008 |
1.3 |
-0.0 |
0.668 |
0 |
0 |
0 |
0.000 |
|