## |
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 |
|
B |
104 |
31 |
19679 |
◊ |
A |
x,y,z |
1_555 |
108 |
34 |
20034 |
1035.6 |
-7.5 |
0.368 |
9 |
5 |
0 |
0.000 |
2 |
|
C |
106 |
33 |
20307 |
◊ |
A |
x,y,z |
1_555 |
106 |
31 |
20034 |
1031.4 |
-7.2 |
0.340 |
9 |
8 |
0 |
0.000 |
3 |
|
C |
104 |
30 |
20307 |
◊ |
B |
x,y,z |
1_555 |
108 |
34 |
19679 |
1010.9 |
-8.1 |
0.328 |
7 |
6 |
0 |
0.000 |
Average: |
1026.0 |
-7.6 |
0.345 |
8 |
6 |
0 |
0.000 |
2 |
4 |
|
A |
51 |
16 |
20034 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
51 |
16 |
20034 |
406.6 |
3.8 |
0.922 |
4 |
2 |
0 |
0.000 |
3 |
5 |
|
[GSH]B:1445 |
20 |
1 |
517 |
f |
B |
x,y,z |
1_555 |
43 |
16 |
19679 |
307.7 |
-5.2 |
0.492 |
9 |
0 |
0 |
0.077 |
6 |
|
[GSH]C:1452 |
19 |
1 |
516 |
f |
C |
x,y,z |
1_555 |
42 |
15 |
20307 |
304.1 |
-5.2 |
0.499 |
7 |
0 |
0 |
0.077 |
7 |
|
[GSH]A:1449 |
20 |
1 |
510 |
f |
A |
x,y,z |
1_555 |
42 |
15 |
20034 |
297.2 |
-4.9 |
0.588 |
7 |
0 |
0 |
0.077 |
Average: |
303.0 |
-5.1 |
0.527 |
8 |
0 |
0 |
0.077 |
4 |
8 |
|
[GSH]C:1451 |
19 |
1 |
507 |
f |
C |
x,y,z |
1_555 |
47 |
16 |
20307 |
306.3 |
-5.8 |
0.449 |
7 |
0 |
0 |
0.091 |
9 |
|
[GSH]B:1446 |
20 |
1 |
507 |
f |
B |
x,y,z |
1_555 |
43 |
15 |
19679 |
303.2 |
-6.2 |
0.470 |
8 |
0 |
0 |
0.091 |
10 |
|
[GSH]A:1450 |
20 |
1 |
503 |
f |
A |
x,y,z |
1_555 |
43 |
15 |
20034 |
297.5 |
-5.9 |
0.490 |
8 |
0 |
0 |
0.091 |
Average: |
302.3 |
-6.0 |
0.470 |
8 |
0 |
0 |
0.091 |
5 |
11 |
|
C |
31 |
9 |
20307 |
x |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
30 |
13 |
20307 |
265.9 |
-1.0 |
0.577 |
2 |
1 |
0 |
0.000 |
6 |
12 |
|
B |
24 |
10 |
19679 |
◊ |
A |
x,y-1,z |
1_545 |
25 |
7 |
20034 |
204.1 |
-0.9 |
0.560 |
2 |
0 |
0 |
0.000 |
7 |
13 |
|
B |
18 |
6 |
19679 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
20 |
6 |
20307 |
196.5 |
1.4 |
0.705 |
5 |
0 |
0 |
0.000 |
8 |
14 |
|
B |
16 |
4 |
19679 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
23 |
8 |
20307 |
146.5 |
-1.1 |
0.516 |
1 |
1 |
0 |
0.000 |
9 |
15 |
|
C |
15 |
4 |
20307 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
16 |
6 |
19679 |
140.0 |
0.3 |
0.655 |
1 |
0 |
0 |
0.000 |
10 |
16 |
|
[EDO]B:1447 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
19679 |
111.9 |
2.9 |
0.441 |
3 |
0 |
0 |
0.000 |
11 |
17 |
|
[EDO]A:1456 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
20034 |
99.9 |
2.2 |
0.282 |
0 |
0 |
0 |
0.000 |
12 |
18 |
|
[EDO]A:1455 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
20034 |
99.4 |
2.7 |
0.475 |
2 |
0 |
0 |
0.000 |
13 |
19 |
|
[EDO]B:1450 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
19679 |
96.1 |
2.6 |
0.468 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
[EDO]B:1449 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
19679 |
96.0 |
3.7 |
0.341 |
2 |
0 |
0 |
0.000 |
15 |
21 |
|
[EDO]C:1454 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
15 |
10 |
20307 |
93.9 |
3.5 |
0.337 |
2 |
0 |
0 |
0.000 |
16 |
22 |
|
[EDO]A:1451 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
20034 |
85.4 |
3.9 |
0.582 |
2 |
0 |
0 |
0.000 |
17 |
23 |
|
[EDO]A:1453 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
20034 |
83.4 |
2.0 |
0.282 |
4 |
0 |
0 |
0.000 |
18 |
24 |
|
[EDO]B:1448 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
19679 |
82.3 |
2.6 |
0.460 |
1 |
0 |
0 |
0.000 |
19 |
25 |
|
[EDO]A:1454 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
20034 |
79.3 |
2.2 |
0.271 |
2 |
0 |
0 |
0.000 |
20 |
26 |
|
[EDO]C:1455 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
20307 |
77.5 |
2.3 |
0.304 |
2 |
0 |
0 |
0.000 |
21 |
27 |
|
[EDO]C:1456 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
20307 |
77.1 |
1.5 |
0.718 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[EDO]B:1451 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
19679 |
75.4 |
2.2 |
0.286 |
1 |
0 |
0 |
0.000 |
23 |
29 |
|
[EDO]C:1453 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
20307 |
71.5 |
1.5 |
0.803 |
2 |
0 |
0 |
0.000 |
24 |
30 |
|
[EDO]A:1452 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
20034 |
71.0 |
2.0 |
0.279 |
1 |
0 |
0 |
0.000 |
25 |
31 |
|
B |
11 |
2 |
19679 |
◊ |
A |
-x+1/2,y-1/2,-z+2 |
4_547 |
6 |
2 |
20034 |
70.3 |
-0.8 |
0.454 |
1 |
0 |
0 |
0.000 |
26 |
32 |
|
[EDO]A:1451 |
4 |
1 |
187 |
f |
A |
-x+1,y,-z+2 |
2_657 |
11 |
3 |
20034 |
68.9 |
1.6 |
0.789 |
1 |
0 |
0 |
0.000 |
27 |
33 |
|
[EDO]B:1451 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
20307 |
67.3 |
1.5 |
0.693 |
2 |
0 |
0 |
0.000 |
28 |
34 |
|
[EDO]A:1452 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
19679 |
64.5 |
1.6 |
0.745 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
[EDO]C:1453 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
20034 |
61.5 |
2.0 |
0.262 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
[EDO]A:1456 |
4 |
1 |
185 |
f |
[GSH]A:1449 |
x,y,z |
1_555 |
9 |
1 |
510 |
53.4 |
0.5 |
0.877 |
1 |
0 |
0 |
0.000 |
31 |
37 |
|
[EDO]A:1454 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
20307 |
42.6 |
0.1 |
0.210 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[EDO]B:1448 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
20034 |
33.6 |
-0.2 |
0.231 |
0 |
0 |
0 |
0.002 |
33 |
39 |
|
[EDO]B:1450 |
1 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
20034 |
27.5 |
0.7 |
0.928 |
1 |
0 |
0 |
0.000 |
34 |
40 |
|
[EDO]C:1454 |
2 |
1 |
186 |
◊ |
[GSH]C:1451 |
x,y,z |
1_555 |
2 |
1 |
507 |
23.1 |
0.5 |
0.846 |
1 |
0 |
0 |
0.000 |
35 |
41 |
|
[EDO]B:1449 |
2 |
1 |
185 |
f |
[GSH]B:1446 |
x,y,z |
1_555 |
3 |
1 |
507 |
22.5 |
0.5 |
0.876 |
1 |
0 |
0 |
0.000 |
36 |
42 |
|
C |
2 |
1 |
20307 |
x |
C |
x,y-1,z |
1_545 |
3 |
2 |
20307 |
10.8 |
0.4 |
0.766 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
[EDO]C:1453 |
1 |
1 |
184 |
f |
[EDO]A:1454 |
x,y,z |
1_555 |
1 |
1 |
184 |
8.4 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
38 |
44 |
|
[EDO]B:1449 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20034 |
1.3 |
0.1 |
0.848 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
[EDO]C:1454 |
1 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
19679 |
0.5 |
0.0 |
0.829 |
0 |
0 |
0 |
0.000 |
|