## |
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 |
|
C |
49 |
16 |
11821 |
◊ |
B |
x,y,z-1 |
1_554 |
51 |
14 |
12940 |
458.2 |
-2.9 |
0.374 |
3 |
1 |
0 |
0.000 |
2 |
|
D |
48 |
17 |
11762 |
◊ |
A |
x,y,z |
1_555 |
50 |
14 |
11913 |
454.2 |
-2.9 |
0.377 |
2 |
1 |
0 |
0.000 |
Average: |
456.2 |
-2.9 |
0.376 |
3 |
1 |
0 |
0.000 |
2 |
3 |
|
A |
47 |
14 |
11913 |
◊ |
C |
x-1,y,z |
1_455 |
39 |
13 |
11821 |
386.0 |
2.0 |
0.753 |
6 |
5 |
0 |
0.000 |
4 |
|
D |
32 |
13 |
11762 |
◊ |
B |
x,y-1,z |
1_545 |
34 |
13 |
12940 |
264.0 |
2.7 |
0.835 |
1 |
2 |
0 |
0.000 |
Average: |
325.0 |
2.4 |
0.794 |
4 |
4 |
0 |
0.000 |
3 |
5 |
|
D |
49 |
12 |
11762 |
◊ |
B |
x,y,z |
1_555 |
39 |
10 |
12940 |
373.6 |
-2.1 |
0.437 |
2 |
2 |
0 |
0.007 |
6 |
|
A |
37 |
9 |
11913 |
◊ |
C |
x-1,y-1,z |
1_445 |
47 |
14 |
11821 |
366.5 |
-2.4 |
0.394 |
3 |
0 |
0 |
0.007 |
Average: |
370.1 |
-2.3 |
0.416 |
3 |
1 |
0 |
0.007 |
4 |
7 |
|
[OGY]B:401 |
16 |
1 |
431 |
f |
B |
x,y,z |
1_555 |
47 |
20 |
12940 |
283.0 |
-5.7 |
0.473 |
2 |
0 |
0 |
0.056 |
8 |
|
[OGY]D:401 |
16 |
1 |
430 |
f |
D |
x,y,z |
1_555 |
45 |
20 |
11762 |
281.9 |
-5.6 |
0.455 |
2 |
0 |
0 |
0.056 |
9 |
|
[OGY]C:401 |
16 |
1 |
431 |
f |
C |
x,y,z |
1_555 |
42 |
19 |
11821 |
281.6 |
-5.7 |
0.438 |
2 |
0 |
0 |
0.056 |
10 |
|
[OGY]A:401 |
16 |
1 |
428 |
f |
A |
x,y,z |
1_555 |
48 |
20 |
11913 |
279.7 |
-5.6 |
0.477 |
1 |
0 |
0 |
0.056 |
Average: |
281.6 |
-5.7 |
0.461 |
2 |
0 |
0 |
0.056 |
5 |
11 |
|
B |
22 |
8 |
12940 |
x |
B |
x-1,y,z |
1_455 |
33 |
12 |
12940 |
264.6 |
-2.0 |
0.405 |
2 |
0 |
0 |
0.000 |
12 |
|
A |
4 |
3 |
11913 |
x |
A |
x-1,y,z |
1_455 |
2 |
1 |
11913 |
22.3 |
1.5 |
0.918 |
0 |
0 |
0 |
0.000 |
Average: |
143.5 |
-0.2 |
0.661 |
1 |
0 |
0 |
0.000 |
6 |
13 |
|
B |
24 |
8 |
12940 |
◊ |
A |
x,y,z |
1_555 |
22 |
12 |
11913 |
210.8 |
-3.1 |
0.210 |
0 |
0 |
0 |
0.000 |
14 |
|
D |
22 |
7 |
11762 |
◊ |
C |
x-1,y-1,z |
1_445 |
20 |
10 |
11821 |
205.5 |
-3.6 |
0.125 |
0 |
0 |
0 |
0.000 |
15 |
|
C |
17 |
6 |
11821 |
◊ |
D |
x,y,z-1 |
1_554 |
21 |
9 |
11762 |
178.8 |
-3.0 |
0.181 |
0 |
0 |
0 |
0.000 |
16 |
|
A |
15 |
5 |
11913 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
18 |
8 |
12940 |
163.7 |
-2.9 |
0.181 |
0 |
0 |
0 |
0.000 |
Average: |
189.7 |
-3.1 |
0.174 |
0 |
0 |
0 |
0.000 |
7 |
17 |
|
C |
27 |
11 |
11821 |
◊ |
A |
x,y,z |
1_555 |
23 |
9 |
11913 |
205.8 |
3.0 |
0.863 |
5 |
3 |
0 |
0.000 |
18 |
|
D |
18 |
9 |
11762 |
◊ |
B |
x-1,y-1,z |
1_445 |
16 |
6 |
12940 |
143.4 |
1.3 |
0.764 |
3 |
2 |
0 |
0.000 |
19 |
|
A |
16 |
8 |
11913 |
◊ |
D |
x,y,z-1 |
1_554 |
13 |
6 |
11762 |
112.4 |
1.7 |
0.811 |
3 |
2 |
0 |
0.000 |
20 |
|
C |
11 |
6 |
11821 |
◊ |
B |
x,y,z |
1_555 |
16 |
9 |
12940 |
109.2 |
1.4 |
0.787 |
3 |
2 |
0 |
0.000 |
Average: |
142.7 |
1.8 |
0.806 |
4 |
2 |
0 |
0.000 |
8 |
21 |
|
A |
14 |
7 |
11913 |
◊ |
B |
x,y-1,z-1 |
1_544 |
17 |
5 |
12940 |
124.9 |
-0.6 |
0.514 |
2 |
0 |
0 |
0.000 |
9 |
22 |
|
B |
9 |
3 |
12940 |
◊ |
C |
x-1,y,z+1 |
1_456 |
15 |
5 |
11821 |
117.4 |
-1.1 |
0.360 |
2 |
1 |
0 |
0.000 |
10 |
23 |
|
C |
8 |
3 |
11821 |
x |
C |
x-1,y,z |
1_455 |
6 |
4 |
11821 |
83.9 |
1.6 |
0.854 |
0 |
0 |
0 |
0.000 |
24 |
|
D |
6 |
3 |
11762 |
x |
D |
x-1,y,z |
1_455 |
2 |
2 |
11762 |
20.4 |
0.0 |
0.623 |
0 |
0 |
0 |
0.000 |
Average: |
52.2 |
0.8 |
0.739 |
0 |
0 |
0 |
0.000 |
11 |
25 |
|
[SO4]B:402 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
12940 |
69.3 |
-8.5 |
0.916 |
3 |
0 |
0 |
0.060 |
12 |
26 |
|
[CL]D:402 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
11762 |
67.8 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.041 |
13 |
27 |
|
[SO4]B:402 |
5 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
11762 |
59.9 |
-7.6 |
0.798 |
1 |
0 |
0 |
0.016 |
14 |
28 |
|
[CL]C:402 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
11821 |
52.0 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.050 |
29 |
|
[CL]D:403 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
11762 |
48.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.050 |
Average: |
50.3 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.050 |
15 |
30 |
|
[CL]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
11913 |
50.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.044 |
16 |
31 |
|
[CL]C:402 |
1 |
1 |
125 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
1 |
11821 |
18.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
|
[CL]D:403 |
1 |
1 |
125 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
11762 |
15.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
16.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|