## |
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 |
|
E |
68 |
26 |
16537 |
◊ |
E |
-x,-y,z |
2_555 |
69 |
28 |
16537 |
570.9 |
-7.6 |
0.265 |
2 |
4 |
0 |
0.000 |
2 |
2 |
|
I |
57 |
16 |
16602 |
◊ |
E |
-x,-y+1,z |
2_565 |
60 |
17 |
16537 |
518.1 |
-4.1 |
0.434 |
1 |
0 |
1 |
0.122 |
3 |
|
M |
54 |
17 |
16847 |
◊ |
A |
x,y,z |
1_555 |
59 |
15 |
16839 |
510.3 |
-5.9 |
0.267 |
3 |
0 |
1 |
0.122 |
Average: |
514.2 |
-5.0 |
0.351 |
2 |
0 |
1 |
0.122 |
3 |
4 |
|
D |
38 |
3 |
1144 |
◊ |
A |
x,y,z |
1_555 |
54 |
17 |
16839 |
409.1 |
-5.8 |
0.516 |
11 |
0 |
0 |
0.571 |
5 |
|
L |
37 |
3 |
1154 |
◊ |
I |
x,y,z |
1_555 |
55 |
17 |
16602 |
403.5 |
-6.6 |
0.464 |
10 |
0 |
0 |
0.571 |
6 |
|
H |
36 |
3 |
1144 |
◊ |
E |
x,y,z |
1_555 |
53 |
17 |
16537 |
383.2 |
-8.3 |
0.392 |
8 |
0 |
0 |
0.571 |
Average: |
398.6 |
-6.9 |
0.457 |
10 |
0 |
0 |
0.571 |
4 |
7 |
|
P |
35 |
3 |
1150 |
◊ |
M |
x,y,z |
1_555 |
53 |
17 |
16847 |
388.3 |
-8.0 |
0.374 |
9 |
0 |
0 |
0.360 |
5 |
8 |
|
J |
46 |
8 |
2604 |
◊ |
I |
x,y,z |
1_555 |
54 |
18 |
16602 |
385.1 |
1.3 |
0.792 |
5 |
0 |
0 |
0.028 |
9 |
|
F |
45 |
8 |
2593 |
◊ |
E |
x,y,z |
1_555 |
51 |
16 |
16537 |
360.2 |
2.1 |
0.819 |
4 |
0 |
0 |
0.028 |
10 |
|
B |
42 |
7 |
2595 |
◊ |
A |
x,y,z |
1_555 |
47 |
14 |
16839 |
350.9 |
2.0 |
0.785 |
4 |
0 |
0 |
0.028 |
11 |
|
N |
39 |
7 |
2583 |
◊ |
M |
x,y,z |
1_555 |
47 |
16 |
16847 |
347.5 |
1.8 |
0.767 |
4 |
0 |
0 |
0.028 |
Average: |
360.9 |
1.8 |
0.791 |
4 |
0 |
0 |
0.028 |
6 |
12 |
|
C |
35 |
4 |
1504 |
◊ |
A |
x,y,z |
1_555 |
44 |
18 |
16839 |
354.7 |
-6.4 |
0.311 |
7 |
0 |
0 |
0.303 |
13 |
|
K |
36 |
4 |
1506 |
◊ |
I |
x,y,z |
1_555 |
45 |
18 |
16602 |
352.4 |
-6.9 |
0.304 |
7 |
0 |
0 |
0.303 |
14 |
|
G |
35 |
4 |
1504 |
◊ |
E |
x,y,z |
1_555 |
45 |
18 |
16537 |
350.1 |
-6.5 |
0.333 |
6 |
0 |
0 |
0.303 |
15 |
|
O |
35 |
4 |
1494 |
◊ |
M |
x,y,z |
1_555 |
41 |
17 |
16847 |
346.0 |
-6.6 |
0.311 |
7 |
0 |
0 |
0.303 |
Average: |
350.8 |
-6.6 |
0.315 |
7 |
0 |
0 |
0.303 |
7 |
16 |
|
A |
45 |
21 |
16839 |
◊ |
M |
-x-1/2,y-1/2,-z-1 |
3_444 |
42 |
15 |
16847 |
347.2 |
-0.5 |
0.648 |
4 |
0 |
0 |
0.000 |
8 |
17 |
|
I |
35 |
10 |
16602 |
◊ |
E |
x,y,z |
1_555 |
36 |
9 |
16537 |
321.8 |
-2.7 |
0.445 |
4 |
0 |
0 |
0.000 |
18 |
|
M |
33 |
7 |
16847 |
◊ |
A |
-x,-y+1,z |
2_565 |
32 |
8 |
16839 |
286.7 |
-3.0 |
0.333 |
2 |
0 |
0 |
0.000 |
Average: |
304.3 |
-2.9 |
0.389 |
3 |
0 |
0 |
0.000 |
9 |
19 |
|
C |
26 |
6 |
1504 |
◊ |
B |
x,y,z |
1_555 |
26 |
6 |
2595 |
277.4 |
-3.7 |
0.452 |
15 |
0 |
0 |
1.000 |
20 |
|
K |
27 |
6 |
1506 |
◊ |
J |
x,y,z |
1_555 |
24 |
6 |
2604 |
275.9 |
-3.5 |
0.452 |
15 |
0 |
0 |
1.000 |
21 |
|
O |
25 |
6 |
1494 |
◊ |
N |
x,y,z |
1_555 |
24 |
6 |
2583 |
273.8 |
-3.6 |
0.457 |
15 |
0 |
0 |
1.000 |
22 |
|
G |
24 |
6 |
1504 |
◊ |
F |
x,y,z |
1_555 |
26 |
6 |
2593 |
273.4 |
-3.7 |
0.461 |
15 |
0 |
0 |
1.000 |
Average: |
275.1 |
-3.6 |
0.456 |
15 |
0 |
0 |
1.000 |
10 |
23 |
|
A |
24 |
8 |
16839 |
◊ |
M |
x,y-1,z |
1_545 |
31 |
11 |
16847 |
271.7 |
-3.9 |
0.229 |
0 |
1 |
0 |
0.000 |
11 |
24 |
|
M |
25 |
8 |
16847 |
◊ |
E |
-x,-y+1,z-1 |
2_564 |
24 |
10 |
16537 |
210.6 |
-0.7 |
0.561 |
1 |
2 |
0 |
0.000 |
25 |
|
A |
19 |
8 |
16839 |
◊ |
I |
x,y,z-1 |
1_554 |
19 |
5 |
16602 |
186.1 |
-1.2 |
0.440 |
1 |
2 |
0 |
0.000 |
Average: |
198.3 |
-1.0 |
0.501 |
1 |
2 |
0 |
0.000 |
12 |
26 |
|
[8OG]B:5 |
21 |
1 |
458 |
cf |
B |
x,y,z |
1_555 |
25 |
2 |
2595 |
195.0 |
3.1 |
0.601 |
0 |
0 |
0 |
0.000 |
27 |
|
[8OG]F:5 |
22 |
1 |
456 |
cf |
F |
x,y,z |
1_555 |
25 |
2 |
2593 |
195.0 |
3.0 |
0.600 |
1 |
0 |
0 |
0.000 |
28 |
|
[8OG]J:5 |
21 |
1 |
457 |
cf |
J |
x,y,z |
1_555 |
25 |
2 |
2604 |
194.5 |
3.0 |
0.573 |
1 |
0 |
0 |
0.000 |
29 |
|
[8OG]N:5 |
22 |
1 |
454 |
cf |
N |
x,y,z |
1_555 |
25 |
2 |
2583 |
192.1 |
2.9 |
0.581 |
1 |
0 |
0 |
0.000 |
Average: |
194.1 |
3.0 |
0.589 |
1 |
0 |
0 |
0.000 |
13 |
30 |
|
P |
21 |
4 |
1150 |
◊ |
N |
x,y,z |
1_555 |
19 |
4 |
2583 |
193.0 |
-2.7 |
0.550 |
14 |
0 |
0 |
0.136 |
31 |
|
H |
20 |
4 |
1144 |
◊ |
F |
x,y,z |
1_555 |
19 |
4 |
2593 |
187.7 |
-2.5 |
0.561 |
14 |
0 |
0 |
0.136 |
Average: |
190.4 |
-2.6 |
0.556 |
14 |
0 |
0 |
0.136 |
14 |
32 |
|
L |
20 |
4 |
1154 |
◊ |
J |
x,y,z |
1_555 |
20 |
4 |
2604 |
192.1 |
-2.7 |
0.541 |
14 |
0 |
0 |
0.169 |
33 |
|
D |
19 |
4 |
1144 |
◊ |
B |
x,y,z |
1_555 |
18 |
4 |
2595 |
189.5 |
-2.4 |
0.548 |
14 |
0 |
0 |
0.169 |
Average: |
190.8 |
-2.6 |
0.545 |
14 |
0 |
0 |
0.169 |
15 |
34 |
|
[8OG]B:5 |
17 |
1 |
458 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
16839 |
170.2 |
-0.6 |
0.297 |
2 |
0 |
0 |
0.051 |
35 |
|
[8OG]F:5 |
18 |
1 |
456 |
◊ |
E |
x,y,z |
1_555 |
21 |
9 |
16537 |
167.9 |
-0.2 |
0.303 |
3 |
0 |
0 |
0.051 |
36 |
|
[8OG]N:5 |
17 |
1 |
454 |
◊ |
M |
x,y,z |
1_555 |
21 |
9 |
16847 |
164.7 |
-0.5 |
0.313 |
2 |
0 |
0 |
0.051 |
37 |
|
[8OG]J:5 |
17 |
1 |
457 |
◊ |
I |
x,y,z |
1_555 |
20 |
9 |
16602 |
160.4 |
-0.7 |
0.286 |
2 |
0 |
0 |
0.051 |
Average: |
165.8 |
-0.5 |
0.300 |
2 |
0 |
0 |
0.051 |
16 |
38 |
|
B |
23 |
3 |
2595 |
◊ |
M |
x,y,z |
1_555 |
18 |
7 |
16847 |
152.2 |
-1.3 |
0.608 |
2 |
0 |
0 |
0.035 |
39 |
|
N |
25 |
4 |
2583 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
16839 |
150.2 |
-0.6 |
0.666 |
1 |
0 |
0 |
0.035 |
40 |
|
F |
23 |
4 |
2593 |
◊ |
I |
-x,-y+1,z |
2_565 |
18 |
7 |
16602 |
133.6 |
-0.7 |
0.658 |
1 |
0 |
0 |
0.035 |
41 |
|
J |
22 |
4 |
2604 |
◊ |
E |
-x,-y+1,z |
2_565 |
17 |
5 |
16537 |
133.6 |
-0.8 |
0.647 |
1 |
0 |
0 |
0.035 |
Average: |
142.4 |
-0.9 |
0.645 |
1 |
0 |
0 |
0.035 |
17 |
42 |
|
M |
18 |
5 |
16847 |
◊ |
E |
-x,-y+1,z |
2_565 |
19 |
7 |
16537 |
145.5 |
-1.4 |
0.397 |
0 |
0 |
0 |
0.000 |
43 |
|
I |
18 |
6 |
16602 |
◊ |
A |
x,y,z |
1_555 |
15 |
8 |
16839 |
132.4 |
-0.7 |
0.541 |
0 |
0 |
0 |
0.000 |
Average: |
138.9 |
-1.0 |
0.469 |
0 |
0 |
0 |
0.000 |
18 |
44 |
|
O |
11 |
2 |
1494 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
16839 |
116.5 |
0.6 |
0.502 |
1 |
0 |
0 |
0.000 |
45 |
|
C |
12 |
2 |
1504 |
◊ |
M |
x,y,z |
1_555 |
17 |
5 |
16847 |
110.3 |
0.4 |
0.538 |
1 |
0 |
0 |
0.000 |
46 |
|
G |
11 |
2 |
1504 |
◊ |
I |
-x,-y+1,z |
2_565 |
15 |
4 |
16602 |
104.3 |
0.7 |
0.589 |
1 |
0 |
0 |
0.000 |
47 |
|
K |
10 |
1 |
1506 |
◊ |
E |
-x,-y+1,z |
2_565 |
13 |
4 |
16537 |
102.4 |
0.5 |
0.568 |
1 |
0 |
0 |
0.000 |
Average: |
108.4 |
0.5 |
0.549 |
1 |
0 |
0 |
0.000 |
19 |
48 |
|
E |
17 |
5 |
16537 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
16839 |
113.4 |
-0.2 |
0.632 |
1 |
0 |
0 |
0.000 |
20 |
49 |
|
H |
14 |
1 |
1144 |
◊ |
J |
x,y,z |
1_555 |
11 |
1 |
2604 |
98.5 |
2.1 |
0.773 |
0 |
0 |
0 |
0.000 |
50 |
|
P |
13 |
1 |
1150 |
◊ |
B |
-x,-y+1,z |
2_565 |
12 |
1 |
2595 |
97.4 |
2.4 |
0.802 |
0 |
0 |
0 |
0.000 |
51 |
|
L |
13 |
1 |
1154 |
◊ |
F |
x,y,z |
1_555 |
12 |
1 |
2593 |
92.5 |
2.5 |
0.810 |
0 |
0 |
0 |
0.000 |
Average: |
96.1 |
2.3 |
0.795 |
0 |
0 |
0 |
0.000 |
21 |
52 |
|
D |
13 |
1 |
1144 |
◊ |
N |
-x,-y+1,z |
2_565 |
12 |
1 |
2583 |
94.2 |
2.6 |
0.816 |
0 |
0 |
0 |
0.000 |
22 |
53 |
|
A |
13 |
4 |
16839 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
12 |
4 |
16537 |
90.6 |
-1.2 |
0.410 |
0 |
0 |
0 |
0.000 |
23 |
54 |
|
A |
5 |
3 |
16839 |
◊ |
I |
-x-1/2,y-1/2,-z |
3_445 |
8 |
3 |
16602 |
63.3 |
0.5 |
0.688 |
0 |
0 |
0 |
0.000 |
24 |
55 |
|
[NA]A:601 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
16839 |
58.0 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.445 |
56 |
|
[NA]I:601 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
11 |
7 |
16602 |
57.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.445 |
57 |
|
[NA]E:601 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
11 |
7 |
16537 |
57.4 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.445 |
58 |
|
[NA]M:601 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
10 |
7 |
16847 |
57.4 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.445 |
Average: |
57.7 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.445 |
25 |
59 |
|
[NA]M:602 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
10 |
7 |
16847 |
53.2 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.239 |
60 |
|
[NA]A:602 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
16839 |
51.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.239 |
Average: |
52.5 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.239 |
26 |
61 |
|
L |
8 |
1 |
1154 |
◊ |
H |
x,y,z |
1_555 |
8 |
1 |
1144 |
51.4 |
-0.6 |
0.575 |
0 |
0 |
0 |
0.000 |
62 |
|
P |
8 |
1 |
1150 |
◊ |
D |
-x,-y+1,z |
2_565 |
8 |
1 |
1144 |
49.7 |
-0.6 |
0.574 |
0 |
0 |
0 |
0.000 |
Average: |
50.6 |
-0.6 |
0.574 |
0 |
0 |
0 |
0.000 |
27 |
63 |
|
N |
8 |
1 |
2583 |
◊ |
I |
x,y,z-1 |
1_554 |
3 |
3 |
16602 |
45.1 |
0.6 |
0.743 |
0 |
0 |
0 |
0.000 |
64 |
|
M |
5 |
4 |
16847 |
◊ |
J |
x,y,z-1 |
1_554 |
9 |
1 |
2604 |
37.8 |
0.2 |
0.664 |
1 |
0 |
0 |
0.000 |
Average: |
41.5 |
0.4 |
0.703 |
1 |
0 |
0 |
0.000 |
28 |
65 |
|
[8OG]F:5 |
5 |
1 |
456 |
◊ |
G |
x,y,z |
1_555 |
5 |
1 |
1504 |
41.6 |
1.2 |
0.537 |
0 |
0 |
0 |
0.000 |
66 |
|
[8OG]J:5 |
5 |
1 |
457 |
◊ |
K |
x,y,z |
1_555 |
5 |
1 |
1506 |
40.7 |
1.0 |
0.513 |
0 |
0 |
0 |
0.000 |
67 |
|
[8OG]N:5 |
5 |
1 |
454 |
◊ |
O |
x,y,z |
1_555 |
5 |
1 |
1494 |
40.1 |
1.0 |
0.519 |
0 |
0 |
0 |
0.000 |
68 |
|
[8OG]B:5 |
5 |
1 |
458 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
1504 |
40.0 |
1.0 |
0.515 |
0 |
0 |
0 |
0.000 |
Average: |
40.6 |
1.0 |
0.521 |
0 |
0 |
0 |
0.000 |
29 |
69 |
|
I |
4 |
2 |
16602 |
◊ |
I |
-x,-y+1,z |
2_565 |
4 |
2 |
16602 |
36.1 |
0.4 |
0.768 |
0 |
0 |
0 |
0.000 |
70 |
|
M |
1 |
1 |
16847 |
◊ |
M |
-x,-y+1,z |
2_565 |
1 |
1 |
16847 |
5.2 |
0.1 |
0.769 |
0 |
0 |
0 |
0.000 |
Average: |
20.6 |
0.3 |
0.768 |
0 |
0 |
0 |
0.000 |
30 |
71 |
|
[NA]I:601 |
1 |
1 |
125 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
1506 |
35.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.160 |
72 |
|
[NA]E:601 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
1504 |
35.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.160 |
73 |
|
[NA]M:601 |
1 |
1 |
125 |
◊ |
O |
x,y,z |
1_555 |
3 |
1 |
1494 |
34.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.160 |
74 |
|
[NA]A:601 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
1504 |
34.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.160 |
Average: |
34.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.160 |
31 |
75 |
|
[NA]M:602 |
1 |
1 |
125 |
◊ |
P |
x,y,z |
1_555 |
3 |
1 |
1150 |
31.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.135 |
76 |
|
[NA]A:602 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
1144 |
30.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.135 |
Average: |
31.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.135 |
32 |
77 |
|
I |
2 |
1 |
16602 |
x |
I |
-x-1/2,y-1/2,-z |
3_445 |
2 |
1 |
16602 |
28.3 |
-0.3 |
0.345 |
0 |
0 |
0 |
0.000 |
33 |
78 |
|
[NA]A:602 |
1 |
1 |
125 |
◊ |
M |
-x,-y+1,z |
2_565 |
1 |
1 |
16847 |
22.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
79 |
|
[NA]M:602 |
1 |
1 |
125 |
◊ |
A |
-x,-y+1,z |
2_565 |
1 |
1 |
16839 |
13.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
18.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
80 |
|
J |
3 |
1 |
2604 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
2593 |
20.1 |
-1.4 |
0.346 |
0 |
0 |
0 |
0.000 |
81 |
|
N |
3 |
1 |
2583 |
◊ |
B |
-x,-y+1,z |
2_565 |
3 |
1 |
2595 |
17.8 |
-1.4 |
0.351 |
0 |
0 |
0 |
0.000 |
Average: |
18.9 |
-1.4 |
0.348 |
0 |
0 |
0 |
0.000 |
35 |
82 |
|
M |
3 |
1 |
16847 |
◊ |
M |
-x,-y+2,z |
2_575 |
3 |
1 |
16847 |
19.9 |
0.4 |
0.788 |
0 |
0 |
0 |
0.000 |
36 |
83 |
|
L |
3 |
1 |
1154 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
16537 |
19.3 |
-0.1 |
0.585 |
0 |
0 |
0 |
0.000 |
84 |
|
H |
3 |
1 |
1144 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
16602 |
13.4 |
-0.2 |
0.603 |
0 |
0 |
0 |
0.000 |
Average: |
16.4 |
-0.1 |
0.594 |
0 |
0 |
0 |
0.000 |
37 |
85 |
|
A |
2 |
1 |
16839 |
◊ |
A |
-x,-y+1,z |
2_565 |
2 |
1 |
16839 |
12.6 |
0.1 |
0.697 |
0 |
0 |
0 |
0.000 |
38 |
86 |
|
D |
3 |
1 |
1144 |
◊ |
M |
-x,-y+1,z |
2_565 |
1 |
1 |
16847 |
12.5 |
-0.1 |
0.612 |
0 |
0 |
0 |
0.000 |
39 |
87 |
|
F |
2 |
1 |
2593 |
◊ |
M |
-x,-y+1,z |
2_565 |
2 |
1 |
16847 |
12.0 |
0.2 |
0.585 |
0 |
0 |
0 |
0.000 |
88 |
|
B |
2 |
1 |
2595 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
16602 |
8.1 |
0.3 |
0.619 |
0 |
0 |
0 |
0.000 |
Average: |
10.0 |
0.3 |
0.602 |
0 |
0 |
0 |
0.000 |
|