| ## |
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 |
|
D |
456 |
120 |
22115 |
◊ |
A |
x,y,z |
1_555 |
458 |
117 |
22204 |
4570.0 |
-45.7 |
0.048 |
60 |
20 |
0 |
0.982 |
2 |
|
H |
458 |
118 |
22105 |
◊ |
E |
x,y,z |
1_555 |
451 |
116 |
22031 |
4543.2 |
-45.0 |
0.049 |
58 |
18 |
0 |
0.982 |
3 |
|
G |
453 |
116 |
22069 |
◊ |
F |
x,y,z |
1_555 |
452 |
118 |
22108 |
4539.7 |
-45.8 |
0.031 |
62 |
18 |
0 |
0.982 |
4 |
|
C |
457 |
118 |
22128 |
◊ |
B |
x,y,z |
1_555 |
457 |
116 |
22217 |
4523.8 |
-44.5 |
0.051 |
59 |
16 |
0 |
0.982 |
| Average: |
4544.2 |
-45.3 |
0.045 |
60 |
18 |
0 |
0.982 |
| 2 |
5 |
|
B |
304 |
87 |
22217 |
◊ |
A |
x,y,z |
1_555 |
306 |
87 |
22204 |
3007.6 |
-33.8 |
0.041 |
35 |
22 |
0 |
1.000 |
6 |
|
D |
306 |
86 |
22115 |
◊ |
C |
x,y,z |
1_555 |
316 |
87 |
22128 |
3001.6 |
-34.4 |
0.028 |
36 |
20 |
0 |
1.000 |
7 |
|
H |
311 |
88 |
22105 |
◊ |
G |
x,y,z |
1_555 |
316 |
88 |
22069 |
2997.8 |
-34.1 |
0.034 |
38 |
20 |
0 |
1.000 |
8 |
|
F |
308 |
86 |
22108 |
◊ |
E |
x,y,z |
1_555 |
310 |
86 |
22031 |
2990.4 |
-34.8 |
0.027 |
37 |
20 |
0 |
1.000 |
| Average: |
2999.4 |
-34.3 |
0.033 |
37 |
21 |
0 |
1.000 |
| 3 |
9 |
|
F |
46 |
15 |
22108 |
◊ |
G |
-x+2,y-1/2,-z+1 |
2_746 |
48 |
11 |
22069 |
439.5 |
5.5 |
0.956 |
6 |
0 |
0 |
0.000 |
| 4 |
10 |
|
C |
57 |
16 |
22128 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
49 |
16 |
22217 |
425.6 |
5.1 |
0.947 |
5 |
0 |
0 |
0.000 |
| 5 |
11 |
|
C |
41 |
14 |
22128 |
◊ |
G |
x-1,y,z-1 |
1_454 |
42 |
15 |
22069 |
373.0 |
-3.8 |
0.333 |
0 |
2 |
0 |
0.000 |
| 6 |
12 |
|
A |
33 |
12 |
22204 |
◊ |
G |
x-1,y,z |
1_455 |
33 |
12 |
22069 |
315.8 |
-0.8 |
0.620 |
1 |
2 |
0 |
0.000 |
| 7 |
13 |
|
F |
32 |
10 |
22108 |
◊ |
B |
x,y,z |
1_555 |
30 |
10 |
22217 |
282.1 |
-2.1 |
0.463 |
0 |
0 |
0 |
0.000 |
14 |
|
H |
30 |
10 |
22105 |
◊ |
D |
x,y,z |
1_555 |
31 |
10 |
22115 |
280.6 |
-2.1 |
0.457 |
1 |
0 |
0 |
0.000 |
| Average: |
281.3 |
-2.1 |
0.460 |
1 |
0 |
0 |
0.000 |
| 8 |
15 |
|
E |
28 |
11 |
22031 |
◊ |
F |
x-1,y,z |
1_455 |
29 |
9 |
22108 |
256.6 |
-1.9 |
0.464 |
4 |
5 |
0 |
0.000 |
16 |
|
D |
29 |
9 |
22115 |
◊ |
C |
x-1,y,z |
1_455 |
29 |
11 |
22128 |
253.2 |
-2.3 |
0.413 |
3 |
4 |
0 |
0.000 |
| Average: |
254.9 |
-2.1 |
0.439 |
4 |
5 |
0 |
0.000 |
| 9 |
17 |
|
D |
21 |
5 |
22115 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
22 |
6 |
22204 |
196.5 |
4.1 |
0.954 |
3 |
3 |
0 |
0.000 |
| 10 |
18 |
|
D |
21 |
9 |
22115 |
◊ |
B |
x,y,z |
1_555 |
24 |
10 |
22217 |
196.4 |
1.2 |
0.820 |
0 |
0 |
0 |
0.000 |
19 |
|
H |
26 |
11 |
22105 |
◊ |
F |
x,y,z |
1_555 |
24 |
10 |
22108 |
190.8 |
1.0 |
0.803 |
0 |
0 |
0 |
0.000 |
20 |
|
G |
23 |
10 |
22069 |
◊ |
E |
x,y,z |
1_555 |
24 |
11 |
22031 |
184.1 |
1.0 |
0.803 |
0 |
0 |
0 |
0.000 |
21 |
|
C |
22 |
11 |
22128 |
◊ |
A |
x,y,z |
1_555 |
24 |
11 |
22204 |
181.0 |
0.6 |
0.770 |
2 |
0 |
0 |
0.000 |
| Average: |
188.1 |
1.0 |
0.799 |
1 |
0 |
0 |
0.000 |
| 11 |
22 |
|
[HC4]H:701 |
12 |
1 |
334 |
◊ |
H |
x,y,z |
1_555 |
31 |
14 |
22105 |
187.2 |
3.3 |
0.452 |
1 |
0 |
0 |
0.000 |
23 |
|
[HC4]F:701 |
12 |
1 |
334 |
◊ |
F |
x,y,z |
1_555 |
32 |
13 |
22108 |
184.5 |
3.2 |
0.445 |
1 |
0 |
0 |
0.000 |
24 |
|
[HC4]E:701 |
12 |
1 |
335 |
◊ |
E |
x,y,z |
1_555 |
30 |
13 |
22031 |
184.2 |
3.1 |
0.440 |
1 |
0 |
0 |
0.000 |
25 |
|
[HC4]D:701 |
12 |
1 |
335 |
◊ |
D |
x,y,z |
1_555 |
30 |
13 |
22115 |
183.1 |
3.1 |
0.414 |
1 |
0 |
0 |
0.000 |
26 |
|
[HC4]A:701 |
12 |
1 |
333 |
◊ |
A |
x,y,z |
1_555 |
31 |
13 |
22204 |
182.7 |
3.2 |
0.439 |
1 |
0 |
0 |
0.000 |
| Average: |
184.3 |
3.2 |
0.438 |
1 |
0 |
0 |
0.000 |
| 12 |
27 |
|
[HC4]B:701 |
12 |
1 |
334 |
◊ |
B |
x,y,z |
1_555 |
33 |
13 |
22217 |
185.2 |
3.1 |
0.450 |
1 |
0 |
0 |
0.000 |
28 |
|
[HC4]C:701 |
12 |
1 |
335 |
◊ |
C |
x,y,z |
1_555 |
32 |
13 |
22128 |
183.8 |
3.0 |
0.412 |
1 |
0 |
0 |
0.000 |
| Average: |
184.5 |
3.1 |
0.431 |
1 |
0 |
0 |
0.000 |
| 13 |
29 |
|
[HC4]G:701 |
12 |
1 |
330 |
◊ |
G |
x,y,z |
1_555 |
32 |
13 |
22069 |
181.5 |
3.0 |
0.430 |
0 |
0 |
0 |
0.000 |
| 14 |
30 |
|
D |
18 |
5 |
22115 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
19 |
6 |
22105 |
148.1 |
0.6 |
0.745 |
0 |
0 |
0 |
0.000 |
| 15 |
31 |
|
E |
16 |
4 |
22031 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
4 |
22105 |
138.0 |
1.4 |
0.728 |
2 |
3 |
0 |
0.000 |
| 16 |
32 |
|
D |
7 |
3 |
22115 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
6 |
4 |
22217 |
73.2 |
2.6 |
0.949 |
1 |
1 |
0 |
0.000 |
| 17 |
33 |
|
[HC4]A:701 |
8 |
1 |
333 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
22217 |
70.3 |
-0.3 |
0.086 |
1 |
0 |
0 |
0.100 |
34 |
|
[HC4]F:701 |
8 |
1 |
334 |
f |
E |
x,y,z |
1_555 |
10 |
3 |
22031 |
67.9 |
-0.3 |
0.100 |
1 |
0 |
0 |
0.100 |
35 |
|
[HC4]E:701 |
8 |
1 |
335 |
f |
F |
x,y,z |
1_555 |
10 |
3 |
22108 |
67.1 |
-0.2 |
0.100 |
1 |
0 |
0 |
0.100 |
| Average: |
68.4 |
-0.3 |
0.095 |
1 |
0 |
0 |
0.100 |
| 18 |
36 |
|
[HC4]C:701 |
8 |
1 |
335 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
22115 |
67.7 |
-0.3 |
0.097 |
1 |
0 |
0 |
0.100 |
37 |
|
[HC4]D:701 |
8 |
1 |
335 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
22128 |
67.7 |
-0.2 |
0.088 |
1 |
0 |
0 |
0.100 |
38 |
|
[HC4]B:701 |
8 |
1 |
334 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
22204 |
66.8 |
-0.3 |
0.094 |
1 |
0 |
0 |
0.100 |
39 |
|
[HC4]H:701 |
7 |
1 |
334 |
f |
G |
x,y,z |
1_555 |
10 |
3 |
22069 |
63.5 |
-0.3 |
0.114 |
1 |
0 |
0 |
0.100 |
| Average: |
66.4 |
-0.3 |
0.098 |
1 |
0 |
0 |
0.100 |
| 19 |
40 |
|
[HC4]G:701 |
8 |
1 |
330 |
f |
H |
x,y,z |
1_555 |
10 |
3 |
22105 |
65.8 |
-0.3 |
0.097 |
1 |
0 |
0 |
0.100 |
| 20 |
41 |
|
[HC4]H:701 |
7 |
1 |
334 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
22031 |
57.9 |
1.7 |
0.347 |
1 |
0 |
0 |
0.000 |
42 |
|
[HC4]B:701 |
7 |
1 |
334 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
22128 |
56.0 |
1.7 |
0.347 |
2 |
0 |
0 |
0.000 |
43 |
|
[HC4]E:701 |
7 |
1 |
335 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
22105 |
55.9 |
1.7 |
0.338 |
2 |
0 |
0 |
0.000 |
44 |
|
[HC4]F:701 |
7 |
1 |
334 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
22069 |
55.2 |
1.7 |
0.332 |
3 |
0 |
0 |
0.000 |
45 |
|
[HC4]D:701 |
7 |
1 |
335 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
22204 |
55.0 |
1.7 |
0.324 |
2 |
0 |
0 |
0.000 |
46 |
|
[HC4]A:701 |
6 |
1 |
333 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
22115 |
52.7 |
1.6 |
0.359 |
2 |
0 |
0 |
0.000 |
| Average: |
55.5 |
1.7 |
0.341 |
2 |
0 |
0 |
0.000 |
| 21 |
47 |
|
[HC4]C:701 |
7 |
1 |
335 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
22217 |
54.7 |
1.7 |
0.326 |
3 |
0 |
0 |
0.000 |
| 22 |
48 |
|
[HC4]G:701 |
7 |
1 |
330 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
22108 |
54.1 |
1.7 |
0.332 |
4 |
0 |
0 |
0.000 |
| 23 |
49 |
|
F |
3 |
1 |
22108 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
22128 |
13.0 |
0.2 |
0.756 |
0 |
0 |
0 |
0.000 |
50 |
|
G |
1 |
1 |
22069 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
22217 |
11.6 |
0.2 |
0.785 |
0 |
0 |
0 |
0.000 |
51 |
|
E |
1 |
1 |
22031 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
22115 |
10.9 |
0.2 |
0.742 |
0 |
0 |
0 |
0.000 |
52 |
|
H |
2 |
1 |
22105 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
22204 |
9.5 |
0.2 |
0.731 |
0 |
0 |
0 |
0.000 |
| Average: |
11.2 |
0.2 |
0.754 |
0 |
0 |
0 |
0.000 |
|