| ## |
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 |
|
L |
156 |
37 |
7454 |
◊ |
K |
x,y,z |
1_555 |
162 |
36 |
7534 |
1463.0 |
-24.3 |
0.049 |
5 |
5 |
0 |
1.000 |
2 |
|
H |
149 |
35 |
7403 |
◊ |
G |
x,y,z |
1_555 |
149 |
36 |
7557 |
1447.0 |
-25.2 |
0.033 |
7 |
5 |
0 |
1.000 |
3 |
|
D |
153 |
36 |
7497 |
◊ |
C |
x,y,z |
1_555 |
148 |
35 |
7689 |
1443.2 |
-24.9 |
0.036 |
7 |
7 |
0 |
1.000 |
4 |
|
B |
152 |
37 |
7510 |
◊ |
A |
x,y,z |
1_555 |
153 |
36 |
7393 |
1441.2 |
-25.8 |
0.036 |
6 |
7 |
0 |
1.000 |
5 |
|
F |
151 |
35 |
8149 |
◊ |
E |
x,y,z |
1_555 |
147 |
34 |
7432 |
1438.5 |
-25.6 |
0.034 |
8 |
7 |
0 |
1.000 |
6 |
|
J |
153 |
34 |
7394 |
◊ |
I |
x,y,z |
1_555 |
150 |
35 |
7423 |
1422.4 |
-25.4 |
0.033 |
6 |
6 |
0 |
1.000 |
| Average: |
1442.6 |
-25.2 |
0.037 |
7 |
6 |
0 |
1.000 |
| 2 |
7 |
|
H |
46 |
14 |
7403 |
◊ |
F |
x,y,z |
1_555 |
47 |
13 |
8149 |
428.1 |
-0.5 |
0.767 |
6 |
7 |
0 |
0.118 |
8 |
|
G |
45 |
12 |
7557 |
◊ |
E |
x,y,z |
1_555 |
46 |
14 |
7432 |
417.6 |
0.0 |
0.765 |
7 |
7 |
0 |
0.118 |
9 |
|
D |
45 |
13 |
7497 |
◊ |
B |
x,y,z |
1_555 |
44 |
14 |
7510 |
415.0 |
-0.3 |
0.754 |
6 |
7 |
0 |
0.118 |
10 |
|
C |
45 |
12 |
7689 |
◊ |
A |
x,y,z |
1_555 |
47 |
13 |
7393 |
413.4 |
-1.1 |
0.703 |
5 |
6 |
0 |
0.118 |
11 |
|
L |
47 |
13 |
7454 |
◊ |
J |
x,y,z |
1_555 |
47 |
13 |
7394 |
409.3 |
-0.6 |
0.731 |
8 |
8 |
0 |
0.118 |
12 |
|
K |
46 |
13 |
7534 |
◊ |
I |
x,y,z |
1_555 |
45 |
13 |
7423 |
404.1 |
-0.9 |
0.715 |
7 |
8 |
0 |
0.118 |
| Average: |
414.6 |
-0.6 |
0.739 |
7 |
7 |
0 |
0.118 |
| 3 |
13 |
|
B |
42 |
10 |
7510 |
◊ |
A |
x-1,y,z |
1_455 |
42 |
11 |
7393 |
367.8 |
-5.3 |
0.313 |
2 |
0 |
0 |
0.000 |
| 4 |
14 |
|
F |
39 |
10 |
8149 |
◊ |
D |
x,y,z |
1_555 |
43 |
11 |
7497 |
343.4 |
-3.7 |
0.462 |
1 |
0 |
0 |
0.000 |
15 |
|
L |
35 |
9 |
7454 |
◊ |
C |
x,y,z |
1_555 |
41 |
11 |
7689 |
331.1 |
-3.7 |
0.396 |
2 |
1 |
0 |
0.000 |
| Average: |
337.3 |
-3.7 |
0.429 |
2 |
1 |
0 |
0.000 |
| 5 |
16 |
|
F |
33 |
9 |
8149 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
33 |
9 |
7689 |
316.1 |
-0.4 |
0.616 |
3 |
2 |
0 |
0.000 |
| 6 |
17 |
|
G |
29 |
8 |
7557 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
31 |
12 |
7510 |
307.6 |
2.7 |
0.896 |
5 |
3 |
0 |
0.000 |
18 |
|
A |
30 |
11 |
7393 |
◊ |
I |
-x+2,y-1/2,-z+1/2 |
3_745 |
27 |
8 |
7423 |
220.1 |
-1.2 |
0.607 |
0 |
0 |
0 |
0.000 |
| Average: |
263.8 |
0.7 |
0.751 |
3 |
2 |
0 |
0.000 |
| 7 |
19 |
|
J |
29 |
8 |
7394 |
◊ |
I |
x-1,y,z |
1_455 |
29 |
7 |
7423 |
252.3 |
-3.7 |
0.332 |
1 |
0 |
0 |
0.000 |
20 |
|
G |
30 |
8 |
7557 |
◊ |
H |
x-1,y,z |
1_455 |
28 |
7 |
7403 |
237.3 |
-3.4 |
0.369 |
0 |
0 |
0 |
0.000 |
| Average: |
244.8 |
-3.6 |
0.351 |
1 |
0 |
0 |
0.000 |
| 8 |
21 |
|
G |
27 |
11 |
7557 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
23 |
8 |
7394 |
214.8 |
1.2 |
0.805 |
2 |
0 |
0 |
0.000 |
| 9 |
22 |
|
H |
22 |
5 |
7403 |
◊ |
I |
-x+2,y-1/2,-z+1/2 |
3_745 |
25 |
10 |
7423 |
192.8 |
0.7 |
0.778 |
2 |
1 |
0 |
0.000 |
| 10 |
23 |
|
L |
17 |
5 |
7454 |
◊ |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
19 |
7 |
7432 |
161.8 |
0.6 |
0.761 |
2 |
0 |
0 |
0.000 |
| 11 |
24 |
|
K |
18 |
9 |
7534 |
x |
K |
x-1/2,-y+3/2,-z+1 |
4_466 |
14 |
7 |
7534 |
125.9 |
-0.8 |
0.463 |
0 |
0 |
0 |
0.000 |
| 12 |
25 |
|
D |
14 |
7 |
7497 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
12 |
6 |
8149 |
108.8 |
1.1 |
0.815 |
2 |
0 |
0 |
0.000 |
| 13 |
26 |
|
D |
9 |
3 |
7497 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
7393 |
74.4 |
0.6 |
0.775 |
0 |
0 |
0 |
0.000 |
27 |
|
H |
8 |
4 |
7403 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
7432 |
73.2 |
0.5 |
0.760 |
0 |
0 |
0 |
0.000 |
28 |
|
C |
9 |
4 |
7689 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
7510 |
73.0 |
0.5 |
0.744 |
0 |
0 |
0 |
0.000 |
29 |
|
G |
8 |
4 |
7557 |
◊ |
F |
x,y,z |
1_555 |
9 |
3 |
8149 |
68.2 |
0.4 |
0.753 |
0 |
0 |
0 |
0.000 |
30 |
|
K |
8 |
3 |
7534 |
◊ |
J |
x,y,z |
1_555 |
7 |
3 |
7394 |
66.2 |
0.3 |
0.734 |
0 |
0 |
0 |
0.000 |
31 |
|
L |
6 |
3 |
7454 |
◊ |
I |
x,y,z |
1_555 |
8 |
4 |
7423 |
64.0 |
0.6 |
0.776 |
0 |
0 |
0 |
0.000 |
| Average: |
69.8 |
0.5 |
0.757 |
0 |
0 |
0 |
0.000 |
| 14 |
32 |
|
B |
8 |
2 |
7510 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
3 |
7394 |
52.5 |
1.2 |
0.824 |
0 |
0 |
0 |
0.000 |
| 15 |
33 |
|
[CL]A:1002 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
7689 |
41.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.179 |
34 |
|
[CL]D:1004 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
7497 |
39.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.179 |
35 |
|
[CL]K:1006 |
1 |
1 |
125 |
◊ |
K |
x,y,z |
1_555 |
8 |
4 |
7534 |
39.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.179 |
36 |
|
[CL]E:1001 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
7432 |
38.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.179 |
37 |
|
[CL]K:1003 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
7 |
4 |
7454 |
38.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.179 |
38 |
|
[CL]H:1005 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
7 |
4 |
8149 |
37.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.179 |
39 |
|
[CL]K:1006 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
9 |
4 |
7394 |
37.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.179 |
40 |
|
[CL]D:1004 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
7393 |
37.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.179 |
41 |
|
[CL]E:1001 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
7 |
4 |
7403 |
36.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.179 |
42 |
|
[CL]K:1003 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
8 |
4 |
7423 |
35.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.179 |
43 |
|
[CL]H:1005 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
7 |
4 |
7557 |
33.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.179 |
44 |
|
[CL]A:1002 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
7510 |
30.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.179 |
| Average: |
37.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.179 |
| 16 |
45 |
|
[CL]K:1006 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
3 |
2 |
7454 |
32.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.100 |
46 |
|
[CL]K:1003 |
1 |
1 |
125 |
◊ |
K |
x,y,z |
1_555 |
4 |
2 |
7534 |
32.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.100 |
47 |
|
[CL]H:1005 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
7403 |
32.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.100 |
48 |
|
[CL]A:1002 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
7393 |
31.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.100 |
49 |
|
[CL]D:1004 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
7689 |
29.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.100 |
50 |
|
[CL]E:1001 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
7557 |
26.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.100 |
51 |
|
[CL]E:1001 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
8149 |
24.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.100 |
52 |
|
[CL]A:1002 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
7497 |
20.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.100 |
53 |
|
[CL]H:1005 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
7432 |
19.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.100 |
54 |
|
[CL]D:1004 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
7510 |
18.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.100 |
55 |
|
[CL]K:1003 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
3 |
2 |
7394 |
17.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.100 |
56 |
|
[CL]K:1006 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
7423 |
13.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
24.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.100 |
| 17 |
57 |
|
E |
5 |
3 |
7432 |
◊ |
L |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
2 |
7454 |
32.0 |
0.5 |
0.771 |
0 |
1 |
0 |
0.000 |
| 18 |
58 |
|
H |
3 |
3 |
7403 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
7 |
2 |
7393 |
28.2 |
-0.3 |
0.497 |
0 |
0 |
0 |
0.000 |
| 19 |
59 |
|
E |
5 |
3 |
7432 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
4 |
7689 |
26.2 |
0.4 |
0.757 |
0 |
0 |
0 |
0.000 |
| 20 |
60 |
|
H |
1 |
1 |
7403 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
2 |
7394 |
19.8 |
1.4 |
0.948 |
0 |
0 |
0 |
0.000 |
| 21 |
61 |
|
L |
1 |
1 |
7454 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
8149 |
8.1 |
0.4 |
0.876 |
0 |
0 |
0 |
0.000 |
| 22 |
62 |
|
E |
3 |
1 |
7432 |
◊ |
K |
x,y-1,z |
1_545 |
1 |
1 |
7534 |
7.4 |
-0.1 |
0.464 |
0 |
0 |
0 |
0.000 |
| 23 |
63 |
|
L |
1 |
1 |
7454 |
◊ |
K |
x-1/2,-y+3/2,-z+1 |
4_466 |
3 |
1 |
7534 |
2.9 |
0.1 |
0.752 |
0 |
0 |
0 |
0.000 |
|