| ## |
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 |
67 |
23 |
16390 |
◊ |
E |
-x,-y,z |
2_555 |
68 |
23 |
16390 |
598.4 |
-8.9 |
0.144 |
2 |
4 |
0 |
0.002 |
| 2 |
2 |
|
J |
72 |
9 |
2595 |
◊ |
I |
x,y,z |
1_555 |
77 |
24 |
16484 |
583.5 |
-0.3 |
0.716 |
10 |
0 |
0 |
0.112 |
3 |
|
F |
74 |
9 |
2598 |
◊ |
E |
x,y,z |
1_555 |
71 |
22 |
16390 |
582.7 |
-0.6 |
0.708 |
10 |
0 |
0 |
0.112 |
4 |
|
N |
70 |
9 |
2596 |
◊ |
M |
x,y,z |
1_555 |
75 |
24 |
16936 |
577.7 |
1.2 |
0.731 |
10 |
0 |
0 |
0.112 |
5 |
|
B |
71 |
9 |
2601 |
◊ |
A |
x,y,z |
1_555 |
72 |
22 |
17039 |
573.3 |
1.0 |
0.737 |
10 |
0 |
0 |
0.112 |
| Average: |
579.3 |
0.3 |
0.723 |
10 |
0 |
0 |
0.112 |
| 3 |
6 |
|
I |
54 |
16 |
16484 |
◊ |
E |
-x,-y+1,z |
2_565 |
56 |
14 |
16390 |
532.7 |
-2.3 |
0.536 |
6 |
0 |
0 |
0.000 |
7 |
|
M |
50 |
13 |
16936 |
◊ |
A |
x,y,z |
1_555 |
53 |
14 |
17039 |
496.6 |
-3.5 |
0.399 |
4 |
0 |
1 |
0.000 |
| Average: |
514.6 |
-2.9 |
0.467 |
5 |
0 |
1 |
0.000 |
| 4 |
8 |
|
D |
35 |
3 |
1148 |
◊ |
A |
x,y,z |
1_555 |
59 |
18 |
17039 |
397.7 |
-7.7 |
0.410 |
8 |
0 |
0 |
0.593 |
9 |
|
P |
35 |
3 |
1157 |
◊ |
M |
x,y,z |
1_555 |
52 |
17 |
16936 |
385.7 |
-8.5 |
0.346 |
10 |
0 |
0 |
0.593 |
| Average: |
391.7 |
-8.1 |
0.378 |
9 |
0 |
0 |
0.593 |
| 5 |
10 |
|
L |
34 |
3 |
1155 |
◊ |
I |
x,y,z |
1_555 |
55 |
17 |
16484 |
386.0 |
-8.4 |
0.372 |
11 |
0 |
0 |
0.604 |
11 |
|
H |
36 |
3 |
1150 |
◊ |
E |
x,y,z |
1_555 |
54 |
17 |
16390 |
384.3 |
-8.0 |
0.400 |
9 |
0 |
0 |
0.604 |
| Average: |
385.2 |
-8.2 |
0.386 |
10 |
0 |
0 |
0.604 |
| 6 |
12 |
|
A |
45 |
21 |
17039 |
◊ |
M |
-x+1/2,y-1/2,-z+1 |
3_546 |
45 |
15 |
16936 |
371.4 |
0.7 |
0.721 |
2 |
0 |
0 |
0.000 |
| 7 |
13 |
|
G |
41 |
4 |
1498 |
◊ |
E |
x,y,z |
1_555 |
50 |
22 |
16390 |
368.7 |
-5.9 |
0.438 |
12 |
0 |
0 |
0.468 |
14 |
|
O |
39 |
4 |
1499 |
◊ |
M |
x,y,z |
1_555 |
50 |
21 |
16936 |
363.8 |
-6.1 |
0.403 |
11 |
0 |
0 |
0.468 |
15 |
|
C |
39 |
4 |
1503 |
◊ |
A |
x,y,z |
1_555 |
52 |
23 |
17039 |
363.2 |
-5.9 |
0.418 |
12 |
0 |
0 |
0.468 |
16 |
|
K |
41 |
4 |
1498 |
◊ |
I |
x,y,z |
1_555 |
48 |
21 |
16484 |
362.8 |
-6.8 |
0.377 |
12 |
0 |
0 |
0.468 |
| Average: |
364.6 |
-6.2 |
0.409 |
12 |
0 |
0 |
0.468 |
| 8 |
17 |
|
M |
35 |
10 |
16936 |
◊ |
A |
-x,-y+1,z |
2_565 |
35 |
9 |
17039 |
337.3 |
-1.7 |
0.492 |
5 |
0 |
0 |
0.028 |
18 |
|
I |
37 |
11 |
16484 |
◊ |
E |
x,y,z |
1_555 |
38 |
11 |
16390 |
333.7 |
-2.3 |
0.470 |
4 |
0 |
0 |
0.028 |
| Average: |
335.5 |
-2.0 |
0.481 |
5 |
0 |
0 |
0.028 |
| 9 |
19 |
|
G |
28 |
6 |
1498 |
◊ |
F |
x,y,z |
1_555 |
28 |
7 |
2598 |
287.2 |
-3.4 |
0.483 |
18 |
0 |
0 |
0.761 |
20 |
|
O |
29 |
6 |
1499 |
◊ |
N |
x,y,z |
1_555 |
29 |
7 |
2596 |
287.0 |
-3.1 |
0.497 |
18 |
0 |
0 |
0.761 |
21 |
|
K |
28 |
6 |
1498 |
◊ |
J |
x,y,z |
1_555 |
29 |
7 |
2595 |
286.5 |
-3.1 |
0.501 |
18 |
0 |
0 |
0.761 |
22 |
|
C |
29 |
6 |
1503 |
◊ |
B |
x,y,z |
1_555 |
29 |
7 |
2601 |
286.3 |
-3.6 |
0.475 |
19 |
0 |
0 |
0.761 |
| Average: |
286.7 |
-3.3 |
0.489 |
18 |
0 |
0 |
0.761 |
| 10 |
23 |
|
A |
26 |
9 |
17039 |
◊ |
M |
x,y-1,z |
1_545 |
32 |
12 |
16936 |
250.6 |
-2.9 |
0.298 |
1 |
1 |
0 |
0.001 |
| 11 |
24 |
|
E |
26 |
10 |
16390 |
◊ |
M |
-x,-y+1,z-1 |
2_564 |
25 |
10 |
16936 |
233.4 |
-1.6 |
0.398 |
1 |
2 |
0 |
0.001 |
25 |
|
I |
18 |
7 |
16484 |
◊ |
A |
x,y,z-1 |
1_554 |
23 |
10 |
17039 |
186.5 |
-1.3 |
0.443 |
1 |
1 |
0 |
0.001 |
| Average: |
209.9 |
-1.4 |
0.420 |
1 |
2 |
0 |
0.001 |
| 12 |
26 |
|
P |
20 |
4 |
1157 |
◊ |
N |
x,y,z |
1_555 |
18 |
4 |
2596 |
191.6 |
-1.9 |
0.539 |
14 |
0 |
0 |
0.006 |
27 |
|
D |
20 |
4 |
1148 |
◊ |
B |
x,y,z |
1_555 |
17 |
4 |
2601 |
191.1 |
-2.9 |
0.486 |
14 |
0 |
0 |
0.006 |
| Average: |
191.3 |
-2.4 |
0.512 |
14 |
0 |
0 |
0.006 |
| 13 |
28 |
|
H |
20 |
4 |
1150 |
◊ |
F |
x,y,z |
1_555 |
16 |
4 |
2598 |
191.0 |
-2.2 |
0.531 |
14 |
0 |
0 |
0.306 |
29 |
|
L |
19 |
4 |
1155 |
◊ |
J |
x,y,z |
1_555 |
16 |
4 |
2595 |
189.8 |
-2.2 |
0.523 |
14 |
0 |
0 |
0.306 |
| Average: |
190.4 |
-2.2 |
0.527 |
14 |
0 |
0 |
0.306 |
| 14 |
30 |
|
G |
21 |
2 |
1498 |
◊ |
I |
-x,-y+1,z |
2_565 |
18 |
6 |
16484 |
160.1 |
2.8 |
0.803 |
1 |
0 |
0 |
0.000 |
31 |
|
K |
18 |
2 |
1498 |
◊ |
E |
-x,-y+1,z |
2_565 |
18 |
7 |
16390 |
148.3 |
0.8 |
0.619 |
0 |
0 |
0 |
0.000 |
32 |
|
C |
18 |
2 |
1503 |
◊ |
M |
x,y,z |
1_555 |
19 |
7 |
16936 |
140.7 |
0.9 |
0.662 |
0 |
0 |
0 |
0.000 |
33 |
|
O |
18 |
2 |
1499 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
17039 |
137.0 |
1.0 |
0.651 |
0 |
0 |
0 |
0.000 |
| Average: |
146.5 |
1.4 |
0.684 |
0 |
0 |
0 |
0.000 |
| 15 |
34 |
|
J |
21 |
4 |
2595 |
◊ |
E |
-x,-y+1,z |
2_565 |
11 |
5 |
16390 |
121.4 |
-1.4 |
0.530 |
2 |
0 |
0 |
0.000 |
35 |
|
N |
17 |
4 |
2596 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
17039 |
113.8 |
-1.2 |
0.489 |
2 |
0 |
0 |
0.000 |
36 |
|
B |
17 |
4 |
2601 |
◊ |
M |
x,y,z |
1_555 |
11 |
5 |
16936 |
113.1 |
-0.4 |
0.530 |
3 |
0 |
0 |
0.000 |
37 |
|
F |
12 |
3 |
2598 |
◊ |
I |
-x,-y+1,z |
2_565 |
10 |
4 |
16484 |
73.3 |
-1.5 |
0.435 |
1 |
0 |
0 |
0.000 |
| Average: |
105.4 |
-1.1 |
0.496 |
2 |
0 |
0 |
0.000 |
| 16 |
38 |
|
I |
12 |
5 |
16484 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
17039 |
121.1 |
-0.5 |
0.516 |
0 |
0 |
0 |
0.000 |
39 |
|
M |
15 |
5 |
16936 |
◊ |
E |
-x,-y+1,z |
2_565 |
13 |
6 |
16390 |
107.5 |
-1.0 |
0.441 |
0 |
0 |
0 |
0.000 |
| Average: |
114.3 |
-0.8 |
0.479 |
0 |
0 |
0 |
0.000 |
| 17 |
40 |
|
A |
12 |
6 |
17039 |
◊ |
I |
-x+1/2,y-1/2,-z |
3_545 |
14 |
4 |
16484 |
117.4 |
1.4 |
0.798 |
2 |
0 |
0 |
0.000 |
| 18 |
41 |
|
E |
15 |
5 |
16390 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
17039 |
101.0 |
0.0 |
0.613 |
1 |
0 |
0 |
0.000 |
| 19 |
42 |
|
E |
14 |
5 |
16390 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
11 |
3 |
17039 |
100.7 |
-1.2 |
0.401 |
0 |
0 |
0 |
0.000 |
| 20 |
43 |
|
P |
13 |
1 |
1157 |
◊ |
B |
-x,-y+1,z |
2_565 |
12 |
1 |
2601 |
98.9 |
2.2 |
0.769 |
0 |
0 |
0 |
0.000 |
| 21 |
44 |
|
L |
14 |
1 |
1155 |
◊ |
F |
x,y,z |
1_555 |
10 |
1 |
2598 |
97.3 |
2.1 |
0.758 |
1 |
0 |
0 |
0.000 |
45 |
|
H |
15 |
1 |
1150 |
◊ |
J |
x,y,z |
1_555 |
10 |
1 |
2595 |
93.7 |
2.1 |
0.767 |
0 |
0 |
0 |
0.000 |
| Average: |
95.5 |
2.1 |
0.763 |
1 |
0 |
0 |
0.000 |
| 22 |
46 |
|
D |
14 |
1 |
1148 |
◊ |
N |
-x,-y+1,z |
2_565 |
10 |
1 |
2596 |
96.0 |
2.0 |
0.754 |
0 |
0 |
0 |
0.000 |
| 23 |
47 |
|
[CAC]D:950 |
5 |
1 |
229 |
◊ |
P |
-x,-y+1,z |
2_565 |
9 |
2 |
1157 |
64.1 |
1.4 |
0.200 |
0 |
0 |
0 |
0.000 |
| 24 |
48 |
|
[NA]E:962 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
13 |
7 |
16390 |
59.9 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.447 |
49 |
|
[NA]I:963 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
13 |
7 |
16484 |
58.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.447 |
50 |
|
[NA]M:964 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
11 |
7 |
16936 |
57.8 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.447 |
51 |
|
[NA]A:961 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
17039 |
57.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.447 |
| Average: |
58.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.447 |
| 25 |
52 |
|
P |
8 |
1 |
1157 |
◊ |
D |
-x,-y+1,z |
2_565 |
8 |
1 |
1148 |
54.9 |
-0.4 |
0.603 |
0 |
0 |
0 |
0.000 |
| 26 |
53 |
|
[CAC]D:950 |
5 |
1 |
229 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
1148 |
51.4 |
0.4 |
0.046 |
0 |
0 |
0 |
0.000 |
| 27 |
54 |
|
L |
8 |
1 |
1155 |
◊ |
H |
x,y,z |
1_555 |
8 |
1 |
1150 |
50.9 |
-0.5 |
0.598 |
0 |
0 |
0 |
0.009 |
| 28 |
55 |
|
A |
3 |
1 |
17039 |
◊ |
A |
-x,-y+1,z |
2_565 |
3 |
1 |
17039 |
39.3 |
-0.6 |
0.318 |
0 |
0 |
0 |
0.000 |
56 |
|
E |
3 |
1 |
16390 |
◊ |
E |
-x,-y+1,z |
2_565 |
2 |
1 |
16390 |
33.6 |
-0.4 |
0.352 |
0 |
0 |
0 |
0.000 |
57 |
|
I |
2 |
1 |
16484 |
◊ |
I |
-x,-y+1,z |
2_565 |
2 |
1 |
16484 |
12.2 |
0.1 |
0.712 |
0 |
0 |
0 |
0.000 |
58 |
|
M |
2 |
1 |
16936 |
◊ |
M |
-x,-y+1,z |
2_565 |
2 |
1 |
16936 |
6.8 |
0.1 |
0.686 |
0 |
0 |
0 |
0.000 |
| Average: |
23.0 |
-0.2 |
0.517 |
0 |
0 |
0 |
0.000 |
| 29 |
59 |
|
[NA]J:965 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
10 |
4 |
2595 |
38.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.302 |
60 |
|
[NA]N:966 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
6 |
4 |
2596 |
33.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.302 |
| Average: |
36.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.302 |
| 30 |
61 |
|
[NA]A:961 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
1503 |
35.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.206 |
62 |
|
[NA]I:963 |
1 |
1 |
125 |
◊ |
K |
x,y,z |
1_555 |
5 |
1 |
1498 |
35.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.206 |
63 |
|
[NA]M:964 |
1 |
1 |
125 |
◊ |
O |
x,y,z |
1_555 |
3 |
1 |
1499 |
35.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.206 |
64 |
|
[NA]E:962 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
1498 |
32.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.206 |
| Average: |
34.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.206 |
| 31 |
65 |
|
[MG]B:991 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
2601 |
29.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.241 |
66 |
|
[MG]F:992 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
6 |
4 |
2598 |
27.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.241 |
| Average: |
28.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.241 |
| 32 |
67 |
|
I |
3 |
1 |
16484 |
x |
I |
-x+1/2,y-1/2,-z |
3_545 |
2 |
1 |
16484 |
29.7 |
-0.4 |
0.408 |
0 |
0 |
0 |
0.000 |
| 33 |
68 |
|
[NA]N:966 |
1 |
1 |
125 |
◊ |
P |
x,y,z |
1_555 |
3 |
2 |
1157 |
27.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.037 |
69 |
|
[NA]J:965 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
2 |
2 |
1155 |
17.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.037 |
| Average: |
22.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.037 |
| 34 |
70 |
|
[MG]H:993 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
4 |
2 |
1155 |
22.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.093 |
71 |
|
[MG]H:993 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
1150 |
21.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.093 |
| Average: |
21.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.093 |
| 35 |
72 |
|
M |
3 |
1 |
16936 |
◊ |
M |
-x,-y+2,z |
2_575 |
3 |
1 |
16936 |
21.7 |
0.3 |
0.756 |
0 |
0 |
0 |
0.000 |
| 36 |
73 |
|
J |
3 |
1 |
2595 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
2598 |
18.8 |
-1.3 |
0.319 |
0 |
0 |
0 |
0.023 |
74 |
|
N |
3 |
1 |
2596 |
◊ |
B |
-x,-y+1,z |
2_565 |
3 |
1 |
2601 |
17.8 |
-1.3 |
0.315 |
0 |
0 |
0 |
0.023 |
| Average: |
18.3 |
-1.3 |
0.317 |
0 |
0 |
0 |
0.023 |
| 37 |
75 |
|
P |
3 |
1 |
1157 |
◊ |
A |
-x,-y+1,z |
2_565 |
2 |
1 |
17039 |
18.7 |
-0.2 |
0.576 |
0 |
0 |
0 |
0.002 |
76 |
|
H |
3 |
1 |
1150 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
16484 |
16.9 |
-0.1 |
0.600 |
0 |
0 |
0 |
0.002 |
77 |
|
L |
3 |
1 |
1155 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
16390 |
16.8 |
-0.2 |
0.593 |
0 |
0 |
0 |
0.002 |
| Average: |
17.5 |
-0.2 |
0.590 |
0 |
0 |
0 |
0.002 |
| 38 |
78 |
|
[CAC]D:950 |
1 |
1 |
229 |
◊ |
N |
-x,-y+1,z |
2_565 |
1 |
1 |
2596 |
18.3 |
0.6 |
0.392 |
0 |
0 |
0 |
0.000 |
| 39 |
79 |
|
I |
4 |
3 |
16484 |
◊ |
N |
x,y,z-1 |
1_554 |
4 |
1 |
2596 |
18.2 |
-0.2 |
0.479 |
0 |
0 |
0 |
0.000 |
80 |
|
J |
4 |
1 |
2595 |
◊ |
M |
x,y,z-1 |
1_554 |
3 |
3 |
16936 |
17.3 |
-0.0 |
0.498 |
0 |
0 |
0 |
0.000 |
| Average: |
17.7 |
-0.1 |
0.488 |
0 |
0 |
0 |
0.000 |
| 40 |
81 |
|
[MG]B:991 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
1148 |
18.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.038 |
82 |
|
[MG]F:992 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
1150 |
17.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.038 |
| Average: |
17.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.038 |
| 41 |
83 |
|
B |
3 |
1 |
2601 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
16484 |
15.8 |
-0.3 |
0.339 |
0 |
0 |
0 |
0.000 |
84 |
|
F |
3 |
1 |
2598 |
◊ |
M |
-x,-y+1,z |
2_565 |
2 |
1 |
16936 |
8.4 |
0.1 |
0.460 |
0 |
0 |
0 |
0.000 |
| Average: |
12.1 |
-0.1 |
0.399 |
0 |
0 |
0 |
0.000 |
| 42 |
85 |
|
D |
3 |
1 |
1148 |
◊ |
M |
-x,-y+1,z |
2_565 |
2 |
1 |
16936 |
15.2 |
-0.1 |
0.603 |
0 |
0 |
0 |
0.000 |
| 43 |
86 |
|
[CAC]D:950 |
3 |
1 |
229 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
2601 |
11.7 |
0.5 |
0.195 |
0 |
0 |
0 |
0.000 |
| 44 |
87 |
|
[CAC]D:950 |
1 |
1 |
229 |
◊ |
M |
-x,-y+1,z |
2_565 |
3 |
1 |
16936 |
7.6 |
0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
| 45 |
88 |
|
[MG]H:993 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
2598 |
1.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.008 |
| 46 |
89 |
|
[CAC]D:950 |
1 |
1 |
229 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
17039 |
1.5 |
0.0 |
0.306 |
0 |
0 |
0 |
0.000 |
|