| ## |
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 |
158 |
38 |
9887 |
◊ |
C |
x,y,z |
1_555 |
161 |
40 |
9787 |
1493.4 |
-11.4 |
0.207 |
15 |
4 |
0 |
0.382 |
2 |
|
B |
163 |
38 |
9911 |
◊ |
A |
x,y,z |
1_555 |
163 |
40 |
9749 |
1487.8 |
-11.3 |
0.200 |
17 |
3 |
0 |
0.382 |
| Average: |
1490.6 |
-11.3 |
0.204 |
16 |
4 |
0 |
0.382 |
| 2 |
3 |
|
C |
82 |
21 |
9787 |
◊ |
A |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
83 |
21 |
9749 |
704.6 |
-6.1 |
0.253 |
4 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
51 |
11 |
9911 |
◊ |
D |
-y+1,x-y,z |
2_655 |
51 |
12 |
9887 |
481.8 |
-3.5 |
0.337 |
2 |
0 |
0 |
0.000 |
| 4 |
5 |
|
D |
55 |
16 |
9887 |
x |
D |
-y+1,x-y+1,z |
2_665 |
48 |
17 |
9887 |
443.4 |
-3.7 |
0.228 |
1 |
0 |
0 |
0.000 |
6 |
|
B |
49 |
17 |
9911 |
x |
B |
-y,x-y,z |
2_555 |
52 |
15 |
9911 |
423.1 |
-4.7 |
0.190 |
1 |
0 |
0 |
0.000 |
| Average: |
433.3 |
-4.2 |
0.209 |
1 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[GSH]C:3224 |
19 |
1 |
512 |
f |
C |
x,y,z |
1_555 |
42 |
18 |
9787 |
297.5 |
-3.9 |
0.580 |
8 |
0 |
0 |
0.325 |
8 |
|
[GSH]B:2224 |
19 |
1 |
511 |
f |
B |
x,y,z |
1_555 |
45 |
18 |
9911 |
296.7 |
-3.9 |
0.588 |
9 |
0 |
0 |
0.325 |
9 |
|
[GSH]A:1224 |
19 |
1 |
505 |
f |
A |
x,y,z |
1_555 |
44 |
18 |
9749 |
295.9 |
-4.1 |
0.548 |
10 |
0 |
0 |
0.325 |
10 |
|
[GSH]D:4224 |
19 |
1 |
509 |
f |
D |
x,y,z |
1_555 |
44 |
18 |
9887 |
295.7 |
-3.3 |
0.625 |
10 |
0 |
0 |
0.325 |
| Average: |
296.5 |
-3.8 |
0.585 |
9 |
0 |
0 |
0.325 |
| 6 |
11 |
|
[HPX]C:3225 |
16 |
1 |
412 |
f |
C |
x,y,z |
1_555 |
42 |
14 |
9787 |
238.3 |
-4.5 |
0.412 |
1 |
0 |
0 |
0.196 |
12 |
|
[HPX]A:1225 |
16 |
1 |
411 |
f |
A |
x,y,z |
1_555 |
40 |
13 |
9749 |
237.2 |
-4.3 |
0.425 |
1 |
0 |
0 |
0.196 |
13 |
|
[HPX]D:4225 |
16 |
1 |
411 |
f |
D |
x,y,z |
1_555 |
39 |
12 |
9887 |
232.4 |
-4.2 |
0.436 |
1 |
0 |
0 |
0.196 |
| Average: |
236.0 |
-4.3 |
0.424 |
1 |
0 |
0 |
0.196 |
| 7 |
14 |
|
[HPX]B:2225 |
16 |
1 |
411 |
f |
B |
x,y,z |
1_555 |
41 |
13 |
9911 |
229.9 |
-4.1 |
0.439 |
1 |
0 |
0 |
0.090 |
| 8 |
15 |
|
D |
12 |
4 |
9887 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
9749 |
170.2 |
-2.6 |
0.183 |
0 |
0 |
0 |
0.000 |
16 |
|
C |
19 |
6 |
9787 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
9911 |
164.0 |
-2.5 |
0.175 |
0 |
0 |
0 |
0.000 |
| Average: |
167.1 |
-2.6 |
0.179 |
0 |
0 |
0 |
0.000 |
| 9 |
17 |
|
A |
17 |
6 |
9749 |
◊ |
D |
-y+1,x-y,z |
2_655 |
17 |
4 |
9887 |
147.9 |
0.3 |
0.552 |
1 |
1 |
0 |
0.000 |
18 |
|
B |
16 |
3 |
9911 |
◊ |
C |
-y+1,x-y,z |
2_655 |
17 |
5 |
9787 |
144.2 |
0.1 |
0.495 |
0 |
1 |
0 |
0.000 |
| Average: |
146.1 |
0.2 |
0.524 |
1 |
1 |
0 |
0.000 |
| 10 |
19 |
|
D |
12 |
4 |
9887 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
9911 |
118.5 |
-1.8 |
0.248 |
0 |
0 |
0 |
0.000 |
| 11 |
20 |
|
[GSH]C:3224 |
6 |
1 |
512 |
◊ |
D |
x,y,z |
1_555 |
8 |
5 |
9887 |
73.2 |
0.3 |
0.768 |
3 |
0 |
0 |
0.039 |
21 |
|
[GSH]D:4224 |
6 |
1 |
509 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
9787 |
71.7 |
0.5 |
0.780 |
3 |
0 |
0 |
0.039 |
22 |
|
[GSH]B:2224 |
6 |
1 |
511 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
9749 |
68.2 |
0.2 |
0.752 |
3 |
0 |
0 |
0.039 |
23 |
|
[GSH]A:1224 |
7 |
1 |
505 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
9911 |
66.4 |
0.7 |
0.827 |
3 |
0 |
0 |
0.039 |
| Average: |
69.9 |
0.4 |
0.782 |
3 |
0 |
0 |
0.039 |
| 12 |
24 |
|
[HPX]C:3225 |
9 |
1 |
412 |
f |
[GSH]C:3224 |
x,y,z |
1_555 |
6 |
1 |
512 |
70.9 |
-1.6 |
0.669 |
0 |
0 |
0 |
0.038 |
25 |
|
[HPX]B:2225 |
10 |
1 |
411 |
f |
[GSH]B:2224 |
x,y,z |
1_555 |
6 |
1 |
511 |
67.8 |
-1.5 |
0.669 |
1 |
0 |
0 |
0.038 |
| Average: |
69.3 |
-1.6 |
0.669 |
1 |
0 |
0 |
0.038 |
| 13 |
26 |
|
[HPX]A:1225 |
9 |
1 |
411 |
f |
[GSH]A:1224 |
x,y,z |
1_555 |
6 |
1 |
505 |
69.3 |
-1.5 |
0.658 |
1 |
0 |
0 |
0.040 |
27 |
|
[HPX]D:4225 |
8 |
1 |
411 |
f |
[GSH]D:4224 |
x,y,z |
1_555 |
6 |
1 |
509 |
62.9 |
-1.5 |
0.651 |
1 |
0 |
0 |
0.040 |
| Average: |
66.1 |
-1.5 |
0.654 |
1 |
0 |
0 |
0.040 |
| 14 |
28 |
|
[HPX]D:4225 |
12 |
1 |
411 |
◊ |
D |
-y+1,x-y+1,z |
2_665 |
8 |
3 |
9887 |
66.1 |
-0.6 |
0.593 |
1 |
0 |
0 |
0.000 |
29 |
|
B |
10 |
3 |
9911 |
◊ |
[HPX]B:2225 |
-y,x-y,z |
2_555 |
13 |
1 |
411 |
66.0 |
-0.7 |
0.624 |
1 |
0 |
0 |
0.000 |
| Average: |
66.0 |
-0.7 |
0.608 |
1 |
0 |
0 |
0.000 |
| 15 |
30 |
|
C |
3 |
1 |
9787 |
x |
C |
-y+1,x-y,z |
2_655 |
5 |
2 |
9787 |
44.3 |
0.5 |
0.710 |
1 |
0 |
0 |
0.000 |
31 |
|
A |
5 |
2 |
9749 |
x |
A |
-y+1,x-y,z |
2_655 |
3 |
1 |
9749 |
44.3 |
0.5 |
0.713 |
1 |
0 |
0 |
0.000 |
| Average: |
44.3 |
0.5 |
0.711 |
1 |
0 |
0 |
0.000 |
| 16 |
32 |
|
[GSH]D:4224 |
3 |
1 |
509 |
◊ |
D |
-y+1,x-y+1,z |
2_665 |
2 |
2 |
9887 |
12.7 |
0.1 |
0.681 |
0 |
0 |
0 |
0.000 |
33 |
|
B |
3 |
2 |
9911 |
◊ |
[GSH]B:2224 |
-y,x-y,z |
2_555 |
3 |
1 |
511 |
10.7 |
-0.1 |
0.611 |
0 |
0 |
0 |
0.000 |
| Average: |
11.7 |
-0.0 |
0.646 |
0 |
0 |
0 |
0.000 |
| 17 |
34 |
|
C |
1 |
1 |
9787 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9749 |
5.0 |
-0.2 |
0.333 |
0 |
0 |
0 |
0.000 |
|