## |
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 |
161 |
43 |
24021 |
x |
D |
x-1,y,z |
1_455 |
166 |
40 |
24021 |
1603.5 |
-14.2 |
0.175 |
16 |
8 |
0 |
0.000 |
2 |
|
A |
167 |
43 |
23501 |
x |
A |
x-1,y,z |
1_455 |
171 |
46 |
23501 |
1584.3 |
-15.6 |
0.105 |
8 |
2 |
0 |
0.000 |
Average: |
1593.9 |
-14.9 |
0.140 |
12 |
5 |
0 |
0.000 |
2 |
3 |
|
A |
157 |
39 |
23501 |
◊ |
F |
x,y,z-1 |
1_554 |
156 |
41 |
11117 |
1448.9 |
-3.3 |
0.661 |
20 |
4 |
0 |
0.234 |
3 |
4 |
|
B |
134 |
33 |
11205 |
◊ |
A |
x,y,z |
1_555 |
126 |
37 |
23501 |
1183.5 |
-5.4 |
0.575 |
11 |
0 |
0 |
0.000 |
5 |
|
E |
123 |
31 |
11127 |
◊ |
D |
x,y,z |
1_555 |
125 |
36 |
24021 |
1166.8 |
-2.5 |
0.700 |
17 |
1 |
0 |
0.000 |
Average: |
1175.1 |
-4.0 |
0.638 |
14 |
1 |
0 |
0.000 |
4 |
6 |
|
C |
122 |
29 |
11319 |
◊ |
B |
x,y,z |
1_555 |
116 |
28 |
11205 |
1082.4 |
-11.7 |
0.218 |
7 |
7 |
0 |
0.578 |
7 |
|
F |
117 |
28 |
11117 |
◊ |
E |
x,y,z |
1_555 |
116 |
26 |
11127 |
1037.0 |
-10.0 |
0.268 |
5 |
11 |
0 |
0.578 |
Average: |
1059.7 |
-10.9 |
0.243 |
6 |
9 |
0 |
0.578 |
5 |
8 |
|
C |
89 |
23 |
11319 |
◊ |
D |
x,y,z |
1_555 |
90 |
24 |
24021 |
848.8 |
-2.4 |
0.635 |
9 |
2 |
0 |
0.000 |
6 |
9 |
|
D |
71 |
20 |
24021 |
◊ |
E |
x,y-1,z |
1_545 |
71 |
18 |
11127 |
604.1 |
4.7 |
0.880 |
6 |
2 |
0 |
0.000 |
10 |
|
A |
68 |
18 |
23501 |
◊ |
B |
x,y-1,z |
1_545 |
69 |
18 |
11205 |
583.8 |
3.5 |
0.863 |
4 |
2 |
0 |
0.000 |
Average: |
593.9 |
4.1 |
0.871 |
5 |
2 |
0 |
0.000 |
7 |
11 |
|
E |
51 |
20 |
11127 |
◊ |
F |
x-1,y,z |
1_455 |
49 |
13 |
11117 |
506.7 |
-1.1 |
0.561 |
2 |
0 |
0 |
0.000 |
12 |
|
B |
49 |
16 |
11205 |
◊ |
C |
x-1,y,z |
1_455 |
45 |
12 |
11319 |
429.8 |
-1.7 |
0.587 |
4 |
1 |
0 |
0.000 |
13 |
|
F |
40 |
15 |
11117 |
◊ |
E |
x,y-1,z |
1_545 |
41 |
11 |
11127 |
398.8 |
-2.4 |
0.343 |
1 |
0 |
0 |
0.000 |
14 |
|
C |
44 |
17 |
11319 |
◊ |
B |
x,y-1,z |
1_545 |
36 |
8 |
11205 |
387.3 |
-3.7 |
0.373 |
2 |
0 |
0 |
0.000 |
Average: |
430.7 |
-2.2 |
0.466 |
2 |
0 |
0 |
0.000 |
8 |
15 |
|
C |
53 |
15 |
11319 |
◊ |
D |
x-1,y,z |
1_455 |
47 |
12 |
24021 |
425.9 |
-2.7 |
0.500 |
2 |
2 |
0 |
0.000 |
9 |
16 |
|
[ATP]A:603 |
31 |
1 |
590 |
f |
A |
x,y,z |
1_555 |
61 |
26 |
23501 |
379.4 |
-1.8 |
0.519 |
12 |
0 |
0 |
0.131 |
10 |
17 |
|
[ATP]D:603 |
31 |
1 |
567 |
f |
D |
x,y,z |
1_555 |
52 |
20 |
24021 |
357.5 |
-1.5 |
0.454 |
8 |
0 |
0 |
0.056 |
11 |
18 |
|
[GSH]F:301 |
19 |
1 |
499 |
f |
F |
x,y,z |
1_555 |
46 |
15 |
11117 |
299.2 |
-6.3 |
0.393 |
1 |
0 |
0 |
0.247 |
12 |
19 |
|
[GSH]E:301 |
19 |
1 |
507 |
f |
E |
x,y,z |
1_555 |
49 |
16 |
11127 |
298.6 |
-4.0 |
0.638 |
6 |
0 |
0 |
0.244 |
20 |
|
[GSH]C:301 |
20 |
1 |
508 |
f |
C |
x,y,z |
1_555 |
45 |
15 |
11319 |
295.3 |
-5.3 |
0.441 |
2 |
0 |
0 |
0.244 |
Average: |
297.0 |
-4.7 |
0.539 |
4 |
0 |
0 |
0.244 |
13 |
21 |
|
[GSH]B:301 |
17 |
1 |
502 |
f |
B |
x,y,z |
1_555 |
46 |
14 |
11205 |
272.6 |
-4.8 |
0.481 |
2 |
0 |
0 |
0.206 |
14 |
22 |
|
[JAA]A:601 |
15 |
1 |
382 |
f |
A |
x,y,z |
1_555 |
42 |
16 |
23501 |
262.7 |
-4.7 |
0.288 |
3 |
0 |
0 |
0.109 |
15 |
23 |
|
[JAA]D:601 |
15 |
1 |
391 |
f |
D |
x,y,z |
1_555 |
42 |
15 |
24021 |
242.8 |
-4.4 |
0.322 |
0 |
0 |
0 |
0.049 |
16 |
24 |
|
A |
22 |
8 |
23501 |
x |
A |
x,y-1,z |
1_545 |
20 |
7 |
23501 |
200.5 |
-0.5 |
0.596 |
2 |
0 |
0 |
0.000 |
25 |
|
D |
27 |
10 |
24021 |
x |
D |
x,y-1,z |
1_545 |
24 |
9 |
24021 |
193.6 |
0.2 |
0.705 |
1 |
0 |
0 |
0.000 |
Average: |
197.0 |
-0.1 |
0.651 |
2 |
0 |
0 |
0.000 |
17 |
26 |
|
A |
11 |
4 |
23501 |
x |
A |
x-1,y-1,z |
1_445 |
17 |
7 |
23501 |
108.9 |
0.5 |
0.735 |
1 |
0 |
0 |
0.000 |
27 |
|
D |
9 |
3 |
24021 |
x |
D |
x-1,y-1,z |
1_445 |
12 |
5 |
24021 |
65.5 |
0.3 |
0.677 |
0 |
0 |
0 |
0.000 |
Average: |
87.2 |
0.4 |
0.706 |
1 |
0 |
0 |
0.000 |
18 |
28 |
|
F |
4 |
2 |
11117 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
24021 |
64.1 |
1.1 |
0.856 |
0 |
0 |
0 |
0.000 |
29 |
|
C |
6 |
2 |
11319 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
23501 |
58.5 |
0.6 |
0.665 |
0 |
0 |
0 |
0.000 |
Average: |
61.3 |
0.8 |
0.760 |
0 |
0 |
0 |
0.000 |
19 |
30 |
|
[ATP]D:603 |
9 |
1 |
567 |
f |
[JAA]D:601 |
x,y,z |
1_555 |
6 |
1 |
391 |
55.7 |
1.0 |
0.715 |
1 |
0 |
0 |
0.000 |
20 |
31 |
|
A |
7 |
3 |
23501 |
◊ |
F |
x-1,y,z-1 |
1_454 |
4 |
4 |
11117 |
31.9 |
0.1 |
0.596 |
0 |
0 |
0 |
0.000 |
21 |
32 |
|
[GSH]E:301 |
2 |
1 |
507 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
11117 |
31.1 |
-0.2 |
0.537 |
0 |
0 |
0 |
0.006 |
33 |
|
[GSH]C:301 |
1 |
1 |
508 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11205 |
10.2 |
0.2 |
0.723 |
0 |
0 |
0 |
0.006 |
Average: |
20.7 |
0.0 |
0.630 |
0 |
0 |
0 |
0.006 |
22 |
34 |
|
[ATP]A:603 |
3 |
1 |
590 |
f |
[JAA]A:601 |
x,y,z |
1_555 |
4 |
1 |
382 |
27.1 |
-1.0 |
0.434 |
0 |
0 |
0 |
0.019 |
23 |
35 |
|
A |
4 |
2 |
23501 |
◊ |
E |
x,y,z-1 |
1_554 |
4 |
3 |
11127 |
23.1 |
-0.4 |
0.447 |
0 |
0 |
0 |
0.007 |
24 |
36 |
|
F |
2 |
1 |
11117 |
◊ |
[GSH]E:301 |
x,y-1,z |
1_545 |
3 |
1 |
507 |
21.2 |
-1.2 |
0.289 |
0 |
0 |
0 |
0.000 |
37 |
|
E |
1 |
1 |
11127 |
◊ |
[GSH]F:301 |
x-1,y,z |
1_455 |
1 |
1 |
499 |
14.3 |
-0.6 |
0.266 |
0 |
0 |
0 |
0.000 |
38 |
|
B |
2 |
1 |
11205 |
◊ |
[GSH]C:301 |
x-1,y,z |
1_455 |
3 |
1 |
508 |
7.4 |
-0.5 |
0.476 |
0 |
0 |
0 |
0.000 |
Average: |
14.3 |
-0.7 |
0.344 |
0 |
0 |
0 |
0.000 |
25 |
39 |
|
[GSH]B:301 |
3 |
1 |
502 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
11319 |
20.0 |
0.1 |
0.729 |
0 |
0 |
0 |
0.000 |
26 |
40 |
|
[GSH]F:301 |
1 |
1 |
499 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
11127 |
2.4 |
0.1 |
0.734 |
0 |
0 |
0 |
0.000 |
27 |
41 |
|
C |
1 |
1 |
11319 |
◊ |
[GSH]B:301 |
x,y-1,z |
1_545 |
2 |
1 |
502 |
1.4 |
-0.0 |
0.567 |
0 |
0 |
0 |
0.000 |
|