| ## |
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 |
455 |
119 |
22096 |
◊ |
A |
x,y,z |
1_555 |
457 |
116 |
22228 |
4562.0 |
-42.5 |
0.071 |
63 |
21 |
0 |
0.995 |
2 |
|
H |
455 |
117 |
22099 |
◊ |
E |
x,y,z |
1_555 |
451 |
116 |
21998 |
4539.5 |
-45.0 |
0.043 |
62 |
18 |
0 |
0.995 |
3 |
|
G |
449 |
115 |
22096 |
◊ |
F |
x,y,z |
1_555 |
449 |
115 |
22081 |
4530.8 |
-45.9 |
0.027 |
61 |
19 |
0 |
0.995 |
4 |
|
C |
463 |
119 |
22130 |
◊ |
B |
x,y,z |
1_555 |
457 |
116 |
22229 |
4521.1 |
-44.5 |
0.048 |
57 |
16 |
0 |
0.995 |
| Average: |
4538.3 |
-44.5 |
0.047 |
61 |
19 |
0 |
0.995 |
| 2 |
5 |
|
D |
304 |
86 |
22096 |
◊ |
C |
x,y,z |
1_555 |
307 |
86 |
22130 |
2991.1 |
-31.6 |
0.046 |
38 |
21 |
0 |
1.000 |
6 |
|
B |
304 |
88 |
22229 |
◊ |
A |
x,y,z |
1_555 |
306 |
87 |
22228 |
2988.7 |
-32.1 |
0.053 |
35 |
22 |
0 |
1.000 |
7 |
|
H |
309 |
87 |
22099 |
◊ |
G |
x,y,z |
1_555 |
307 |
87 |
22096 |
2988.6 |
-31.8 |
0.048 |
37 |
19 |
0 |
1.000 |
8 |
|
F |
298 |
86 |
22081 |
◊ |
E |
x,y,z |
1_555 |
310 |
86 |
21998 |
2975.3 |
-31.8 |
0.045 |
37 |
22 |
0 |
1.000 |
| Average: |
2985.9 |
-31.8 |
0.048 |
37 |
21 |
0 |
1.000 |
| 3 |
9 |
|
C |
61 |
16 |
22130 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
52 |
16 |
22229 |
459.7 |
5.9 |
0.961 |
4 |
0 |
0 |
0.000 |
| 4 |
10 |
|
F |
45 |
15 |
22081 |
◊ |
G |
-x+2,y-1/2,-z+1 |
2_746 |
48 |
11 |
22096 |
440.8 |
5.3 |
0.951 |
5 |
0 |
0 |
0.000 |
| 5 |
11 |
|
C |
42 |
14 |
22130 |
◊ |
G |
x-1,y,z-1 |
1_454 |
43 |
15 |
22096 |
386.9 |
-3.8 |
0.333 |
0 |
2 |
0 |
0.000 |
| 6 |
12 |
|
A |
34 |
12 |
22228 |
◊ |
G |
x-1,y,z |
1_455 |
33 |
12 |
22096 |
318.5 |
-0.8 |
0.619 |
2 |
2 |
0 |
0.000 |
| 7 |
13 |
|
F |
31 |
10 |
22081 |
◊ |
B |
x,y,z |
1_555 |
30 |
10 |
22229 |
281.9 |
-2.0 |
0.467 |
0 |
0 |
0 |
0.000 |
14 |
|
H |
30 |
10 |
22099 |
◊ |
D |
x,y,z |
1_555 |
29 |
10 |
22096 |
277.9 |
-2.0 |
0.459 |
0 |
0 |
0 |
0.000 |
| Average: |
279.9 |
-2.0 |
0.463 |
0 |
0 |
0 |
0.000 |
| 8 |
15 |
|
E |
28 |
12 |
21998 |
◊ |
F |
x-1,y,z |
1_455 |
30 |
9 |
22081 |
263.7 |
-1.9 |
0.458 |
4 |
5 |
0 |
0.000 |
16 |
|
D |
29 |
9 |
22096 |
◊ |
C |
x-1,y,z |
1_455 |
29 |
11 |
22130 |
260.9 |
-2.3 |
0.414 |
3 |
4 |
0 |
0.000 |
| Average: |
262.3 |
-2.1 |
0.436 |
4 |
5 |
0 |
0.000 |
| 9 |
17 |
|
D |
19 |
6 |
22096 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
23 |
7 |
22228 |
204.6 |
4.4 |
0.961 |
4 |
4 |
0 |
0.000 |
| 10 |
18 |
|
D |
23 |
10 |
22096 |
◊ |
B |
x,y,z |
1_555 |
26 |
12 |
22229 |
195.7 |
1.2 |
0.816 |
0 |
0 |
0 |
0.000 |
19 |
|
H |
25 |
11 |
22099 |
◊ |
F |
x,y,z |
1_555 |
21 |
9 |
22081 |
189.9 |
1.1 |
0.803 |
0 |
0 |
0 |
0.000 |
20 |
|
G |
23 |
11 |
22096 |
◊ |
E |
x,y,z |
1_555 |
24 |
11 |
21998 |
184.5 |
1.0 |
0.801 |
1 |
0 |
0 |
0.000 |
21 |
|
C |
22 |
11 |
22130 |
◊ |
A |
x,y,z |
1_555 |
24 |
11 |
22228 |
177.8 |
0.5 |
0.760 |
1 |
0 |
0 |
0.000 |
| Average: |
187.0 |
0.9 |
0.795 |
1 |
0 |
0 |
0.000 |
| 11 |
22 |
|
[HC4]A:701 |
12 |
1 |
335 |
◊ |
A |
x,y,z |
1_555 |
31 |
13 |
22228 |
189.0 |
2.4 |
0.364 |
2 |
0 |
0 |
0.000 |
23 |
|
[HC4]C:701 |
12 |
1 |
332 |
◊ |
C |
x,y,z |
1_555 |
31 |
13 |
22130 |
189.0 |
2.4 |
0.374 |
2 |
0 |
0 |
0.000 |
24 |
|
[HC4]B:701 |
12 |
1 |
335 |
◊ |
B |
x,y,z |
1_555 |
30 |
13 |
22229 |
188.3 |
2.4 |
0.369 |
2 |
0 |
0 |
0.000 |
25 |
|
[HC4]F:701 |
12 |
1 |
334 |
◊ |
F |
x,y,z |
1_555 |
30 |
13 |
22081 |
188.2 |
2.5 |
0.381 |
2 |
0 |
0 |
0.000 |
26 |
|
[HC4]G:701 |
12 |
1 |
332 |
◊ |
G |
x,y,z |
1_555 |
32 |
13 |
22096 |
187.2 |
2.5 |
0.378 |
2 |
0 |
0 |
0.000 |
27 |
|
[HC4]D:701 |
12 |
1 |
338 |
◊ |
D |
x,y,z |
1_555 |
29 |
13 |
22096 |
185.1 |
2.3 |
0.348 |
2 |
0 |
0 |
0.000 |
| Average: |
187.8 |
2.4 |
0.369 |
2 |
0 |
0 |
0.000 |
| 12 |
28 |
|
[HC4]H:701 |
12 |
1 |
335 |
◊ |
H |
x,y,z |
1_555 |
29 |
13 |
22099 |
188.6 |
2.4 |
0.363 |
2 |
0 |
0 |
0.000 |
29 |
|
[HC4]E:701 |
12 |
1 |
330 |
◊ |
E |
x,y,z |
1_555 |
31 |
13 |
21998 |
186.5 |
2.4 |
0.392 |
2 |
0 |
0 |
0.000 |
| Average: |
187.6 |
2.4 |
0.377 |
2 |
0 |
0 |
0.000 |
| 13 |
30 |
|
D |
21 |
7 |
22096 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
21 |
7 |
22099 |
153.3 |
0.5 |
0.734 |
0 |
0 |
0 |
0.000 |
| 14 |
31 |
|
E |
17 |
4 |
21998 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
4 |
22099 |
146.9 |
1.5 |
0.730 |
3 |
4 |
0 |
0.000 |
| 15 |
32 |
|
D |
8 |
3 |
22096 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
8 |
4 |
22229 |
76.3 |
2.6 |
0.941 |
1 |
2 |
0 |
0.000 |
| 16 |
33 |
|
[HC4]D:701 |
7 |
1 |
338 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
22130 |
66.2 |
-0.2 |
0.120 |
0 |
0 |
0 |
0.100 |
34 |
|
[HC4]A:701 |
7 |
1 |
335 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
22229 |
65.2 |
-0.3 |
0.115 |
0 |
0 |
0 |
0.100 |
35 |
|
[HC4]F:701 |
7 |
1 |
334 |
f |
E |
x,y,z |
1_555 |
11 |
3 |
21998 |
63.8 |
-0.2 |
0.137 |
0 |
0 |
0 |
0.100 |
36 |
|
[HC4]G:701 |
7 |
1 |
332 |
f |
H |
x,y,z |
1_555 |
10 |
3 |
22099 |
63.7 |
-0.2 |
0.121 |
0 |
0 |
0 |
0.100 |
37 |
|
[HC4]B:701 |
7 |
1 |
335 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
22228 |
63.6 |
-0.2 |
0.136 |
0 |
0 |
0 |
0.100 |
38 |
|
[HC4]H:701 |
7 |
1 |
335 |
f |
G |
x,y,z |
1_555 |
8 |
3 |
22096 |
63.2 |
-0.2 |
0.105 |
0 |
0 |
0 |
0.100 |
39 |
|
[HC4]C:701 |
7 |
1 |
332 |
f |
D |
x,y,z |
1_555 |
11 |
3 |
22096 |
62.7 |
-0.2 |
0.136 |
0 |
0 |
0 |
0.100 |
40 |
|
[HC4]E:701 |
7 |
1 |
330 |
f |
F |
x,y,z |
1_555 |
10 |
3 |
22081 |
62.6 |
-0.2 |
0.131 |
0 |
0 |
0 |
0.100 |
| Average: |
63.9 |
-0.2 |
0.125 |
0 |
0 |
0 |
0.100 |
| 17 |
41 |
|
[HC4]B:701 |
4 |
1 |
335 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
22130 |
55.9 |
1.7 |
0.563 |
2 |
0 |
0 |
0.000 |
42 |
|
[HC4]E:701 |
5 |
1 |
330 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
22099 |
54.7 |
1.7 |
0.498 |
3 |
0 |
0 |
0.000 |
43 |
|
[HC4]C:701 |
5 |
1 |
332 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
22229 |
54.7 |
1.8 |
0.491 |
2 |
0 |
0 |
0.000 |
44 |
|
[HC4]D:701 |
5 |
1 |
338 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
22228 |
54.3 |
1.7 |
0.461 |
3 |
0 |
0 |
0.000 |
45 |
|
[HC4]H:701 |
5 |
1 |
335 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
21998 |
54.1 |
1.7 |
0.462 |
4 |
0 |
0 |
0.000 |
46 |
|
[HC4]A:701 |
4 |
1 |
335 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
22096 |
54.0 |
1.7 |
0.547 |
2 |
0 |
0 |
0.000 |
| Average: |
54.6 |
1.7 |
0.504 |
3 |
0 |
0 |
0.000 |
| 18 |
47 |
|
[HC4]G:701 |
4 |
1 |
332 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
22081 |
54.3 |
1.7 |
0.564 |
2 |
0 |
0 |
0.000 |
48 |
|
[HC4]F:701 |
4 |
1 |
334 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
22096 |
54.3 |
1.7 |
0.552 |
2 |
0 |
0 |
0.000 |
| Average: |
54.3 |
1.7 |
0.558 |
2 |
0 |
0 |
0.000 |
| 19 |
49 |
|
F |
3 |
1 |
22081 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
22130 |
14.4 |
0.2 |
0.735 |
0 |
0 |
0 |
0.000 |
50 |
|
E |
2 |
2 |
21998 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
22096 |
12.3 |
0.2 |
0.717 |
0 |
0 |
0 |
0.000 |
51 |
|
G |
1 |
1 |
22096 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
22229 |
11.9 |
0.2 |
0.804 |
0 |
0 |
0 |
0.000 |
52 |
|
H |
2 |
1 |
22099 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
22228 |
9.9 |
0.2 |
0.777 |
0 |
0 |
0 |
0.000 |
| Average: |
12.1 |
0.2 |
0.758 |
0 |
0 |
0 |
0.000 |
| 20 |
53 |
|
C |
1 |
1 |
22130 |
◊ |
F |
x-1,y,z-1 |
1_454 |
1 |
1 |
22081 |
0.7 |
-0.0 |
0.529 |
0 |
0 |
0 |
0.000 |
|