## |
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 |
140 |
40 |
10577 |
◊ |
C |
x,y,z |
1_555 |
144 |
43 |
10858 |
1453.7 |
-23.1 |
0.029 |
13 |
4 |
0 |
0.624 |
2 |
2 |
|
B |
131 |
34 |
10746 |
◊ |
A |
x,y,z |
1_555 |
134 |
34 |
10858 |
1336.7 |
-19.5 |
0.058 |
12 |
2 |
0 |
0.554 |
3 |
3 |
|
A |
53 |
15 |
10858 |
◊ |
D |
-y-1/2,x,z+3/4 |
6_445 |
53 |
18 |
10577 |
522.9 |
-1.3 |
0.655 |
8 |
6 |
0 |
0.000 |
4 |
4 |
|
A |
47 |
11 |
10858 |
◊ |
B |
-y,x+1/2,z+1/4 |
2_555 |
43 |
12 |
10746 |
418.7 |
-5.6 |
0.231 |
2 |
1 |
0 |
0.000 |
5 |
5 |
|
A |
36 |
9 |
10858 |
◊ |
D |
x-1/2,y+1/2,z+1/2 |
5_455 |
44 |
11 |
10577 |
377.5 |
-0.1 |
0.655 |
6 |
0 |
0 |
0.000 |
6 |
6 |
|
C |
44 |
9 |
10858 |
◊ |
B |
x,y,z |
1_555 |
43 |
12 |
10746 |
376.6 |
1.2 |
0.777 |
5 |
0 |
0 |
0.000 |
7 |
7 |
|
B |
37 |
10 |
10746 |
◊ |
A |
-y-1/2,x,z-1/4 |
6_444 |
44 |
14 |
10858 |
361.0 |
-0.8 |
0.641 |
3 |
0 |
0 |
0.000 |
8 |
8 |
|
D |
31 |
10 |
10577 |
◊ |
B |
-x-1/2,-y-1/2,z-1/2 |
3_444 |
47 |
13 |
10746 |
342.7 |
1.4 |
0.808 |
5 |
0 |
0 |
0.000 |
9 |
9 |
|
[GSH]C:1200 |
20 |
1 |
514 |
f |
C |
x,y,z |
1_555 |
43 |
15 |
10858 |
331.3 |
-3.3 |
0.711 |
9 |
0 |
0 |
0.344 |
10 |
|
[GSH]B:1200 |
20 |
1 |
507 |
f |
B |
x,y,z |
1_555 |
47 |
16 |
10746 |
330.8 |
-3.5 |
0.722 |
8 |
0 |
0 |
0.344 |
11 |
|
[GSH]A:1200 |
19 |
1 |
509 |
f |
A |
x,y,z |
1_555 |
42 |
14 |
10858 |
296.0 |
-4.5 |
0.621 |
9 |
0 |
0 |
0.344 |
12 |
|
[GSH]D:1200 |
20 |
1 |
508 |
f |
D |
x,y,z |
1_555 |
39 |
12 |
10577 |
292.3 |
-3.2 |
0.706 |
9 |
0 |
0 |
0.344 |
Average: |
312.6 |
-3.6 |
0.690 |
9 |
0 |
0 |
0.344 |
10 |
13 |
|
[D25]B:1201 |
16 |
1 |
395 |
f |
B |
x,y,z |
1_555 |
43 |
15 |
10746 |
284.9 |
-0.7 |
0.397 |
0 |
0 |
0 |
0.048 |
14 |
|
[D25]C:1201 |
16 |
1 |
390 |
f |
C |
x,y,z |
1_555 |
44 |
15 |
10858 |
280.9 |
-0.8 |
0.388 |
0 |
0 |
0 |
0.048 |
15 |
|
[D25]A:1201 |
16 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
41 |
12 |
10858 |
272.6 |
-1.5 |
0.312 |
0 |
0 |
0 |
0.048 |
Average: |
279.5 |
-1.0 |
0.366 |
0 |
0 |
0 |
0.048 |
11 |
16 |
|
B |
28 |
9 |
10746 |
◊ |
D |
-y-1/2,x,z+3/4 |
6_445 |
19 |
7 |
10577 |
196.4 |
-1.9 |
0.401 |
2 |
2 |
0 |
0.000 |
12 |
17 |
|
A |
17 |
6 |
10858 |
x |
A |
-y,x+1/2,z+1/4 |
2_555 |
21 |
7 |
10858 |
189.2 |
1.4 |
0.786 |
3 |
0 |
0 |
0.000 |
13 |
18 |
|
C |
19 |
7 |
10858 |
◊ |
A |
-x,-y,z |
7_444 |
22 |
6 |
10858 |
177.8 |
0.3 |
0.715 |
3 |
0 |
0 |
0.000 |
14 |
19 |
|
D |
21 |
7 |
10577 |
◊ |
C |
-y-1/2,x,z-1/4 |
6_444 |
19 |
5 |
10858 |
174.1 |
0.0 |
0.677 |
1 |
0 |
0 |
0.000 |
15 |
20 |
|
B |
20 |
6 |
10746 |
◊ |
C |
-y-1/2,x,z-1/4 |
6_444 |
15 |
6 |
10858 |
157.9 |
-1.6 |
0.374 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
C |
16 |
5 |
10858 |
x |
C |
-y-1/2,x,z-1/4 |
6_444 |
16 |
7 |
10858 |
143.1 |
-1.3 |
0.467 |
1 |
0 |
0 |
0.000 |
17 |
22 |
|
C |
18 |
6 |
10858 |
◊ |
D |
-y,x-1/2,z+1/4 |
2_545 |
16 |
6 |
10577 |
140.6 |
0.6 |
0.746 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
B |
14 |
5 |
10746 |
x |
B |
-y-1/2,x,z-1/4 |
6_444 |
13 |
5 |
10746 |
131.9 |
-1.7 |
0.342 |
1 |
0 |
0 |
0.000 |
19 |
24 |
|
B |
12 |
4 |
10746 |
◊ |
B |
-x-1,-y,z |
7_344 |
12 |
4 |
10746 |
129.8 |
2.3 |
0.900 |
2 |
4 |
0 |
0.000 |
20 |
25 |
|
C |
10 |
5 |
10858 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
10858 |
118.8 |
1.2 |
0.813 |
2 |
2 |
0 |
0.000 |
21 |
26 |
|
C |
11 |
2 |
10858 |
◊ |
B |
-x-1/2,-y-1/2,z-1/2 |
3_444 |
11 |
3 |
10746 |
101.6 |
-1.0 |
0.453 |
1 |
1 |
0 |
0.000 |
22 |
27 |
|
D |
4 |
3 |
10577 |
x |
D |
-y,x-1/2,z+1/4 |
2_545 |
5 |
3 |
10577 |
55.7 |
-1.1 |
0.228 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
[D25]B:1201 |
6 |
1 |
395 |
f |
[GSH]B:1200 |
x,y,z |
1_555 |
3 |
1 |
507 |
42.9 |
-0.8 |
0.400 |
1 |
0 |
0 |
0.040 |
29 |
|
[D25]A:1201 |
4 |
1 |
397 |
f |
[GSH]A:1200 |
x,y,z |
1_555 |
2 |
1 |
509 |
27.1 |
-0.5 |
0.350 |
0 |
0 |
0 |
0.040 |
Average: |
35.0 |
-0.7 |
0.375 |
1 |
0 |
0 |
0.040 |
24 |
30 |
|
C |
4 |
2 |
10858 |
◊ |
B |
-y-1/2,x,z-1/4 |
6_444 |
4 |
2 |
10746 |
41.0 |
-0.2 |
0.558 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[GSH]D:1200 |
4 |
1 |
508 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
10858 |
39.7 |
0.0 |
0.690 |
1 |
0 |
0 |
0.026 |
32 |
|
[GSH]C:1200 |
4 |
1 |
514 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
10577 |
38.2 |
0.1 |
0.704 |
2 |
0 |
0 |
0.026 |
Average: |
39.0 |
0.1 |
0.697 |
2 |
0 |
0 |
0.026 |
26 |
33 |
|
[GSH]B:1200 |
3 |
1 |
507 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
10858 |
39.4 |
0.0 |
0.703 |
1 |
0 |
0 |
0.015 |
34 |
|
[GSH]A:1200 |
3 |
1 |
509 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
10746 |
32.2 |
0.2 |
0.685 |
1 |
0 |
0 |
0.015 |
Average: |
35.8 |
0.1 |
0.694 |
1 |
0 |
0 |
0.015 |
27 |
35 |
|
[D25]C:1201 |
6 |
1 |
390 |
f |
[GSH]C:1200 |
x,y,z |
1_555 |
3 |
1 |
514 |
35.9 |
-0.8 |
0.378 |
1 |
0 |
0 |
0.027 |
28 |
36 |
|
D |
2 |
2 |
10577 |
◊ |
A |
-x,-y,z |
7_444 |
2 |
2 |
10858 |
4.6 |
0.0 |
0.612 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
B |
1 |
1 |
10746 |
◊ |
D |
x-1/2,y+1/2,z+1/2 |
5_455 |
1 |
1 |
10577 |
3.5 |
0.2 |
0.818 |
0 |
0 |
0 |
0.000 |
|