| ## |
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 |
|
[52J]C:201 |
36 |
1 |
811 |
f |
C |
x,y,z |
1_555 |
70 |
24 |
9569 |
555.8 |
-4.2 |
0.373 |
6 |
0 |
0 |
0.027 |
2 |
|
[52J]H:201 |
36 |
1 |
808 |
f |
H |
x,y,z |
1_555 |
70 |
25 |
9568 |
551.2 |
-4.4 |
0.357 |
6 |
0 |
0 |
0.027 |
3 |
|
[52J]F:201 |
36 |
1 |
787 |
f |
F |
x,y,z |
1_555 |
69 |
24 |
9598 |
547.4 |
-3.9 |
0.392 |
8 |
0 |
0 |
0.027 |
4 |
|
[52J]A:201 |
37 |
1 |
807 |
f |
A |
x,y,z |
1_555 |
71 |
25 |
9534 |
545.3 |
-4.5 |
0.349 |
7 |
0 |
0 |
0.027 |
5 |
|
[52J]E:201 |
37 |
1 |
805 |
f |
E |
x,y,z |
1_555 |
71 |
25 |
9583 |
544.0 |
-3.8 |
0.391 |
7 |
0 |
0 |
0.027 |
6 |
|
[52J]D:201 |
36 |
1 |
785 |
f |
D |
x,y,z |
1_555 |
65 |
23 |
9501 |
526.4 |
-4.9 |
0.312 |
6 |
0 |
0 |
0.027 |
7 |
|
[52J]B:201 |
36 |
1 |
783 |
f |
B |
x,y,z |
1_555 |
69 |
24 |
9478 |
416.3 |
-2.0 |
0.420 |
6 |
0 |
0 |
0.027 |
8 |
|
[52J]G:201 |
36 |
1 |
803 |
f |
G |
x,y,z |
1_555 |
66 |
24 |
9596 |
401.4 |
-4.1 |
0.244 |
5 |
0 |
0 |
0.027 |
| Average: |
511.0 |
-4.0 |
0.355 |
6 |
0 |
0 |
0.027 |
| 2 |
9 |
|
D |
33 |
6 |
9501 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
55 |
17 |
9568 |
452.1 |
-1.4 |
0.478 |
5 |
0 |
0 |
0.000 |
10 |
|
G |
31 |
5 |
9596 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
51 |
15 |
9569 |
444.1 |
-2.3 |
0.390 |
2 |
0 |
0 |
0.000 |
11 |
|
F |
34 |
6 |
9598 |
◊ |
B |
x,y,z |
1_555 |
53 |
17 |
9478 |
431.4 |
-1.8 |
0.462 |
5 |
0 |
0 |
0.000 |
12 |
|
G |
49 |
14 |
9596 |
◊ |
H |
-x-1/2,-y,z-1/2 |
2_454 |
32 |
5 |
9568 |
426.3 |
-1.6 |
0.420 |
4 |
0 |
0 |
0.000 |
13 |
|
F |
45 |
13 |
9598 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
29 |
5 |
9534 |
400.8 |
-2.6 |
0.273 |
4 |
0 |
0 |
0.000 |
14 |
|
D |
44 |
15 |
9501 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
33 |
5 |
9583 |
392.9 |
-2.3 |
0.290 |
4 |
0 |
0 |
0.000 |
15 |
|
E |
45 |
14 |
9583 |
◊ |
B |
x,y,z |
1_555 |
26 |
5 |
9478 |
390.0 |
-4.1 |
0.133 |
3 |
0 |
0 |
0.000 |
| Average: |
419.7 |
-2.3 |
0.349 |
4 |
0 |
0 |
0.000 |
| 3 |
16 |
|
A |
53 |
17 |
9534 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
34 |
5 |
9569 |
442.4 |
-2.3 |
0.358 |
5 |
0 |
0 |
0.000 |
| 4 |
17 |
|
[52I]B:204 |
36 |
1 |
800 |
f |
B |
x,y,z |
1_555 |
63 |
24 |
9478 |
422.2 |
-2.9 |
0.344 |
7 |
0 |
0 |
0.019 |
18 |
|
[52I]G:204 |
34 |
1 |
799 |
f |
G |
x,y,z |
1_555 |
63 |
22 |
9596 |
419.6 |
-3.7 |
0.281 |
6 |
0 |
0 |
0.019 |
| Average: |
420.9 |
-3.3 |
0.313 |
7 |
0 |
0 |
0.019 |
| 5 |
19 |
|
H |
46 |
12 |
9568 |
◊ |
B |
x,y,z |
1_555 |
48 |
10 |
9478 |
403.1 |
-1.2 |
0.568 |
5 |
1 |
0 |
0.000 |
20 |
|
C |
46 |
9 |
9569 |
◊ |
A |
x,y,z |
1_555 |
46 |
12 |
9534 |
398.6 |
-0.3 |
0.631 |
5 |
1 |
0 |
0.000 |
21 |
|
A |
46 |
9 |
9534 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
45 |
12 |
9583 |
390.3 |
-0.8 |
0.577 |
4 |
1 |
0 |
0.000 |
22 |
|
G |
44 |
12 |
9596 |
◊ |
F |
x,y,z |
1_555 |
49 |
10 |
9598 |
385.7 |
-0.7 |
0.578 |
5 |
1 |
0 |
0.000 |
23 |
|
D |
46 |
10 |
9501 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
43 |
12 |
9569 |
375.4 |
-1.1 |
0.536 |
2 |
1 |
0 |
0.000 |
24 |
|
E |
47 |
10 |
9583 |
◊ |
D |
x,y,z |
1_555 |
45 |
12 |
9501 |
370.3 |
-1.5 |
0.523 |
3 |
0 |
0 |
0.000 |
25 |
|
B |
41 |
8 |
9478 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
48 |
9 |
9568 |
354.4 |
-3.1 |
0.373 |
3 |
0 |
0 |
0.000 |
26 |
|
G |
48 |
10 |
9596 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
39 |
10 |
9598 |
342.9 |
-2.8 |
0.397 |
1 |
0 |
0 |
0.000 |
| Average: |
377.6 |
-1.4 |
0.523 |
4 |
1 |
0 |
0.000 |
| 6 |
27 |
|
G |
33 |
10 |
9596 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
30 |
9 |
9534 |
299.0 |
-2.6 |
0.370 |
2 |
0 |
0 |
0.000 |
28 |
|
C |
32 |
9 |
9569 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
30 |
9 |
9583 |
292.2 |
-3.0 |
0.321 |
2 |
0 |
0 |
0.000 |
29 |
|
D |
32 |
9 |
9501 |
◊ |
B |
x,y,z |
1_555 |
32 |
9 |
9478 |
288.4 |
-3.6 |
0.278 |
2 |
0 |
0 |
0.000 |
30 |
|
H |
28 |
9 |
9568 |
◊ |
F |
x,y,z |
1_555 |
32 |
8 |
9598 |
258.6 |
-3.2 |
0.291 |
2 |
0 |
0 |
0.000 |
| Average: |
284.6 |
-3.1 |
0.315 |
2 |
0 |
0 |
0.000 |
| 7 |
31 |
|
[52I]G:204 |
33 |
1 |
799 |
f |
[52J]G:201 |
x,y,z |
1_555 |
34 |
1 |
803 |
284.8 |
-1.2 |
0.507 |
0 |
0 |
0 |
0.004 |
32 |
|
[52I]B:204 |
37 |
1 |
800 |
f |
[52J]B:201 |
x,y,z |
1_555 |
33 |
1 |
783 |
270.7 |
-0.3 |
0.546 |
0 |
0 |
0 |
0.004 |
| Average: |
277.7 |
-0.8 |
0.527 |
0 |
0 |
0 |
0.004 |
| 8 |
33 |
|
H |
17 |
7 |
9568 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
9569 |
166.7 |
-0.9 |
0.445 |
0 |
0 |
0 |
0.000 |
| 9 |
34 |
|
C |
22 |
6 |
9569 |
◊ |
B |
x,y,z |
1_555 |
19 |
5 |
9478 |
148.9 |
-0.3 |
0.570 |
1 |
0 |
0 |
0.000 |
35 |
|
E |
15 |
5 |
9583 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
20 |
5 |
9501 |
142.0 |
-0.7 |
0.509 |
1 |
0 |
0 |
0.000 |
| Average: |
145.5 |
-0.5 |
0.539 |
1 |
0 |
0 |
0.000 |
| 10 |
36 |
|
B |
17 |
9 |
9478 |
◊ |
A |
x,y,z |
1_555 |
18 |
9 |
9534 |
148.2 |
3.1 |
0.904 |
2 |
2 |
0 |
0.000 |
37 |
|
F |
13 |
8 |
9598 |
◊ |
H |
x-1,y,z |
1_455 |
13 |
9 |
9568 |
95.1 |
1.8 |
0.835 |
1 |
0 |
0 |
0.000 |
38 |
|
G |
4 |
2 |
9596 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
9501 |
16.5 |
0.3 |
0.777 |
0 |
0 |
0 |
0.000 |
| Average: |
86.6 |
1.7 |
0.839 |
1 |
1 |
0 |
0.000 |
| 11 |
39 |
|
H |
8 |
4 |
9568 |
x |
E |
x,y,z |
1_555 |
15 |
5 |
9583 |
122.1 |
-1.4 |
0.148 |
0 |
0 |
0 |
0.000 |
40 |
|
F |
17 |
7 |
9598 |
x |
E |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
5 |
9583 |
112.8 |
-0.9 |
0.369 |
0 |
0 |
0 |
0.000 |
41 |
|
G |
7 |
4 |
9596 |
x |
B |
x-1,y,z |
1_455 |
7 |
4 |
9478 |
63.1 |
-0.5 |
0.481 |
0 |
0 |
0 |
0.000 |
42 |
|
A |
8 |
4 |
9534 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
9 |
4 |
9534 |
58.5 |
1.1 |
0.801 |
1 |
0 |
0 |
0.000 |
43 |
|
D |
5 |
3 |
9501 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
5 |
3 |
9501 |
50.0 |
0.7 |
0.773 |
0 |
0 |
0 |
0.000 |
44 |
|
C |
5 |
2 |
9569 |
x |
F |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
3 |
9598 |
22.3 |
0.7 |
0.761 |
0 |
0 |
0 |
0.000 |
| Average: |
71.5 |
-0.0 |
0.555 |
0 |
0 |
0 |
0.000 |
| 12 |
45 |
|
G |
10 |
5 |
9596 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
9478 |
121.0 |
-0.9 |
0.324 |
2 |
0 |
0 |
0.000 |
| 13 |
46 |
|
A |
14 |
5 |
9534 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
17 |
4 |
9568 |
119.3 |
-0.4 |
0.563 |
1 |
0 |
0 |
0.000 |
| 14 |
47 |
|
C |
14 |
5 |
9569 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
18 |
6 |
9534 |
112.8 |
0.3 |
0.668 |
0 |
0 |
0 |
0.000 |
48 |
|
F |
10 |
5 |
9598 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
3 |
9478 |
71.9 |
0.4 |
0.679 |
0 |
0 |
0 |
0.000 |
49 |
|
G |
8 |
4 |
9596 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
6 |
2 |
9583 |
65.9 |
-0.3 |
0.553 |
0 |
0 |
0 |
0.000 |
50 |
|
F |
6 |
1 |
9598 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
8 |
4 |
9501 |
60.9 |
-0.2 |
0.559 |
0 |
0 |
0 |
0.000 |
| Average: |
77.9 |
0.1 |
0.615 |
0 |
0 |
0 |
0.000 |
| 15 |
51 |
|
G |
13 |
5 |
9596 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
4 |
9534 |
93.7 |
0.2 |
0.634 |
0 |
0 |
0 |
0.000 |
| 16 |
52 |
|
G |
10 |
3 |
9596 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
12 |
3 |
9568 |
78.3 |
0.0 |
0.627 |
1 |
0 |
0 |
0.000 |
| 17 |
53 |
|
[CL]H:202 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
12 |
7 |
9568 |
77.9 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.044 |
54 |
|
[CL]E:203 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
14 |
7 |
9583 |
77.8 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.044 |
55 |
|
[CL]G:203 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
14 |
7 |
9596 |
77.2 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.044 |
56 |
|
[CL]C:203 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
9569 |
77.2 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.044 |
57 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
9534 |
77.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.044 |
58 |
|
[CL]F:203 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
13 |
7 |
9598 |
76.7 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.044 |
59 |
|
[CL]B:203 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
9478 |
75.7 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.044 |
60 |
|
[CL]D:203 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
9501 |
75.2 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
76.8 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.044 |
| 18 |
61 |
|
C |
3 |
2 |
9569 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
16 |
8 |
9568 |
61.4 |
0.7 |
0.781 |
0 |
0 |
0 |
0.000 |
62 |
|
G |
3 |
2 |
9596 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
9501 |
20.7 |
0.4 |
0.766 |
0 |
0 |
0 |
0.000 |
63 |
|
H |
2 |
2 |
9568 |
◊ |
E |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
9583 |
15.7 |
-0.0 |
0.479 |
0 |
0 |
0 |
0.000 |
| Average: |
32.6 |
0.4 |
0.675 |
0 |
0 |
0 |
0.000 |
| 19 |
64 |
|
F |
4 |
2 |
9598 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
9569 |
57.5 |
-0.3 |
0.519 |
0 |
0 |
0 |
0.000 |
65 |
|
B |
3 |
1 |
9478 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
9501 |
34.0 |
-0.5 |
0.322 |
0 |
0 |
0 |
0.000 |
| Average: |
45.8 |
-0.4 |
0.421 |
0 |
0 |
0 |
0.000 |
| 20 |
66 |
|
[CA]G:202 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
9 |
4 |
9596 |
40.0 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.031 |
67 |
|
[CA]H:203 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
9 |
4 |
9568 |
39.9 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.031 |
68 |
|
[CA]E:202 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
9583 |
39.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.031 |
69 |
|
[CA]A:202 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
9534 |
39.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.031 |
70 |
|
[CA]F:202 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
9598 |
39.4 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.031 |
71 |
|
[CA]D:202 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
9501 |
39.3 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.031 |
72 |
|
[CA]B:202 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
9478 |
39.1 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.031 |
73 |
|
[CA]C:202 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
9569 |
39.1 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.031 |
| Average: |
39.5 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.031 |
| 21 |
74 |
|
[CA]F:202 |
1 |
1 |
85 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
9596 |
26.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
75 |
|
[CA]C:202 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
9534 |
26.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
76 |
|
[CA]B:202 |
1 |
1 |
85 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
9568 |
26.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
77 |
|
[CA]E:202 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
9501 |
25.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
78 |
|
[CA]D:202 |
1 |
1 |
85 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
9569 |
24.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
79 |
|
[CA]A:202 |
1 |
1 |
85 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
9583 |
23.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
80 |
|
[CA]G:202 |
1 |
1 |
85 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
9598 |
23.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
81 |
|
B |
4 |
1 |
9478 |
◊ |
[CA]H:203 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
85 |
23.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
24.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 22 |
82 |
|
C |
3 |
2 |
9569 |
◊ |
E |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
2 |
9583 |
13.4 |
0.2 |
0.686 |
0 |
0 |
0 |
0.000 |
| 23 |
83 |
|
[CL]E:203 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9478 |
10.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
84 |
|
[CL]D:203 |
1 |
1 |
125 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
9583 |
9.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
85 |
|
[CL]G:203 |
1 |
1 |
125 |
◊ |
H |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
9568 |
7.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
86 |
|
[CL]F:203 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
9534 |
6.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
87 |
|
D |
2 |
1 |
9501 |
◊ |
[CL]H:202 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
125 |
6.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
88 |
|
[CL]B:203 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
9598 |
6.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
89 |
|
G |
2 |
1 |
9596 |
◊ |
[CL]C:203 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
125 |
6.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
90 |
|
[CL]A:203 |
1 |
1 |
125 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
9569 |
4.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
7.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 24 |
91 |
|
[52J]C:201 |
1 |
1 |
811 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
9568 |
5.8 |
0.3 |
0.727 |
0 |
0 |
0 |
0.000 |
|