| ## |
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 |
|
J |
270 |
54 |
7301 |
◊ |
I |
x,y,z |
1_555 |
259 |
53 |
7262 |
2448.2 |
-31.4 |
0.237 |
22 |
13 |
0 |
0.860 |
2 |
|
H |
263 |
55 |
7318 |
◊ |
G |
x,y,z |
1_555 |
262 |
53 |
7254 |
2435.4 |
-29.3 |
0.299 |
19 |
13 |
0 |
0.860 |
3 |
|
B |
261 |
53 |
7279 |
◊ |
A |
x,y,z |
1_555 |
270 |
53 |
7184 |
2434.7 |
-28.3 |
0.352 |
20 |
12 |
0 |
0.860 |
4 |
|
D |
264 |
53 |
7123 |
◊ |
C |
x,y,z |
1_555 |
261 |
53 |
7239 |
2413.5 |
-31.1 |
0.259 |
19 |
15 |
0 |
0.860 |
5 |
|
F |
259 |
53 |
7226 |
◊ |
E |
x,y,z |
1_555 |
263 |
53 |
7251 |
2399.3 |
-30.0 |
0.252 |
18 |
14 |
0 |
0.860 |
| Average: |
2426.2 |
-30.0 |
0.280 |
20 |
13 |
0 |
0.860 |
| 2 |
6 |
|
C |
130 |
30 |
7239 |
◊ |
B |
x,y,z |
1_555 |
135 |
32 |
7279 |
1171.1 |
-9.4 |
0.596 |
7 |
8 |
0 |
0.723 |
7 |
|
E |
128 |
30 |
7251 |
◊ |
D |
x,y,z |
1_555 |
128 |
30 |
7123 |
1170.9 |
-8.5 |
0.629 |
9 |
10 |
0 |
0.723 |
8 |
|
H |
127 |
32 |
7318 |
◊ |
F |
x,y,z |
1_555 |
133 |
32 |
7226 |
1165.7 |
-8.6 |
0.614 |
9 |
8 |
0 |
0.723 |
9 |
|
J |
128 |
32 |
7301 |
◊ |
A |
x,y,z |
1_555 |
127 |
31 |
7184 |
1138.8 |
-9.1 |
0.593 |
9 |
8 |
0 |
0.723 |
10 |
|
I |
129 |
31 |
7262 |
◊ |
G |
x,y,z |
1_555 |
133 |
31 |
7254 |
1134.2 |
-9.1 |
0.594 |
5 |
7 |
0 |
0.723 |
| Average: |
1156.2 |
-8.9 |
0.605 |
8 |
8 |
0 |
0.723 |
| 3 |
11 |
|
D |
29 |
8 |
7123 |
◊ |
B |
x,y,z |
1_555 |
32 |
11 |
7279 |
279.6 |
-3.2 |
0.454 |
3 |
4 |
0 |
0.115 |
12 |
|
E |
32 |
11 |
7251 |
◊ |
C |
x,y,z |
1_555 |
29 |
8 |
7239 |
271.8 |
-3.1 |
0.463 |
3 |
4 |
0 |
0.115 |
13 |
|
J |
33 |
11 |
7301 |
◊ |
B |
x,y,z |
1_555 |
29 |
8 |
7279 |
270.1 |
-3.1 |
0.478 |
3 |
4 |
0 |
0.115 |
14 |
|
C |
30 |
10 |
7239 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
7184 |
266.4 |
-2.3 |
0.531 |
4 |
4 |
0 |
0.115 |
15 |
|
J |
24 |
7 |
7301 |
◊ |
G |
x,y,z |
1_555 |
32 |
11 |
7254 |
263.7 |
-3.3 |
0.408 |
2 |
4 |
0 |
0.115 |
16 |
|
I |
28 |
10 |
7262 |
◊ |
H |
x,y,z |
1_555 |
26 |
8 |
7318 |
262.7 |
-3.0 |
0.439 |
3 |
4 |
0 |
0.115 |
17 |
|
H |
32 |
10 |
7318 |
◊ |
E |
x,y,z |
1_555 |
29 |
8 |
7251 |
259.6 |
-2.8 |
0.490 |
3 |
4 |
0 |
0.115 |
18 |
|
G |
26 |
8 |
7254 |
◊ |
F |
x,y,z |
1_555 |
32 |
11 |
7226 |
246.9 |
-2.6 |
0.494 |
3 |
4 |
0 |
0.115 |
19 |
|
I |
24 |
6 |
7262 |
◊ |
A |
x,y,z |
1_555 |
28 |
10 |
7184 |
245.4 |
-2.2 |
0.518 |
3 |
4 |
0 |
0.115 |
20 |
|
F |
25 |
9 |
7226 |
◊ |
D |
x,y,z |
1_555 |
27 |
10 |
7123 |
212.2 |
-1.3 |
0.607 |
2 |
4 |
0 |
0.115 |
| Average: |
257.8 |
-2.7 |
0.488 |
3 |
4 |
0 |
0.115 |
| 4 |
21 |
|
J |
18 |
7 |
7301 |
◊ |
G |
-x-1/2,y-1/2,-z+1/4 |
5_445 |
17 |
7 |
7254 |
169.8 |
3.6 |
0.944 |
0 |
3 |
0 |
0.000 |
| 5 |
22 |
|
I |
15 |
5 |
7262 |
◊ |
B |
y,x,-z |
7_555 |
25 |
7 |
7279 |
159.3 |
-2.7 |
0.302 |
0 |
0 |
0 |
0.000 |
| 6 |
23 |
|
I |
13 |
6 |
7262 |
◊ |
H |
-x-1/2,y-1/2,-z+1/4 |
5_445 |
16 |
6 |
7318 |
159.1 |
3.8 |
0.951 |
1 |
3 |
0 |
0.000 |
| 7 |
24 |
|
C |
15 |
5 |
7239 |
◊ |
D |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
17 |
4 |
7123 |
153.5 |
-0.6 |
0.641 |
0 |
0 |
0 |
0.000 |
| 8 |
25 |
|
H |
18 |
7 |
7318 |
◊ |
A |
-y-1/2,x+1/2,z+1/4 |
3_455 |
15 |
7 |
7184 |
151.6 |
-0.6 |
0.651 |
0 |
1 |
0 |
0.000 |
| 9 |
26 |
|
[PGE]G:203 |
10 |
1 |
296 |
f |
G |
x,y,z |
1_555 |
21 |
8 |
7254 |
129.4 |
2.4 |
0.160 |
0 |
0 |
0 |
0.000 |
| 10 |
27 |
|
[PGE]G:203 |
9 |
1 |
296 |
◊ |
I |
x,y,z |
1_555 |
23 |
9 |
7262 |
124.7 |
2.6 |
0.237 |
0 |
0 |
0 |
0.000 |
| 11 |
28 |
|
G |
8 |
4 |
7254 |
◊ |
E |
y-1,x+1,-z |
7_465 |
13 |
3 |
7251 |
103.9 |
-0.6 |
0.315 |
0 |
0 |
0 |
0.000 |
| 12 |
29 |
|
J |
13 |
4 |
7301 |
◊ |
H |
-x-1/2,y-1/2,-z+1/4 |
5_445 |
12 |
4 |
7318 |
103.5 |
1.4 |
0.858 |
0 |
0 |
0 |
0.000 |
| 13 |
30 |
|
B |
10 |
5 |
7279 |
◊ |
A |
y,x,-z |
7_555 |
9 |
4 |
7184 |
84.3 |
-0.7 |
0.479 |
0 |
0 |
0 |
0.000 |
| 14 |
31 |
|
G |
12 |
5 |
7254 |
◊ |
F |
y-1,x+1,-z |
7_465 |
8 |
4 |
7226 |
69.9 |
-0.0 |
0.678 |
0 |
0 |
0 |
0.000 |
| 15 |
32 |
|
E |
7 |
3 |
7251 |
◊ |
E |
y-1,x+1,-z |
7_465 |
7 |
3 |
7251 |
68.1 |
2.3 |
0.935 |
0 |
2 |
0 |
0.000 |
| 16 |
33 |
|
B |
6 |
2 |
7279 |
◊ |
E |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
4 |
1 |
7251 |
47.3 |
-0.8 |
0.433 |
0 |
0 |
0 |
0.000 |
| 17 |
34 |
|
[MG]J:201 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
7 |
3 |
7301 |
46.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.277 |
| 18 |
35 |
|
B |
6 |
2 |
7279 |
◊ |
D |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
3 |
1 |
7123 |
45.5 |
0.4 |
0.750 |
1 |
0 |
0 |
0.000 |
| 19 |
36 |
|
[MG]B:201 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
7279 |
44.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.356 |
37 |
|
[MG]G:204 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
7 |
2 |
7262 |
43.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.356 |
38 |
|
[MG]F:201 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
6 |
2 |
7226 |
42.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.356 |
39 |
|
[MG]F:202 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
6 |
2 |
7318 |
42.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.356 |
40 |
|
[MG]B:202 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
7239 |
42.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.356 |
41 |
|
[MG]D:202 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
7 |
3 |
7251 |
40.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.356 |
42 |
|
[MG]D:201 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
7123 |
40.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.356 |
43 |
|
[MG]G:201 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
8 |
3 |
7254 |
38.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.356 |
| Average: |
41.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.356 |
| 20 |
44 |
|
J |
6 |
2 |
7301 |
◊ |
F |
-y+1/2,x+1/2,z+1/4 |
3_555 |
9 |
4 |
7226 |
43.6 |
-0.8 |
0.486 |
0 |
0 |
0 |
0.000 |
| 21 |
45 |
|
[MG]G:202 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
6 |
4 |
7254 |
41.4 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.202 |
| 22 |
46 |
|
F |
2 |
1 |
7226 |
◊ |
E |
y-1,x+1,-z |
7_465 |
4 |
1 |
7251 |
38.4 |
-0.7 |
0.247 |
0 |
0 |
0 |
0.000 |
| 23 |
47 |
|
[MG]G:201 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
7262 |
37.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.237 |
48 |
|
[MG]D:201 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
7251 |
33.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.237 |
49 |
|
[MG]D:202 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
7123 |
31.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.237 |
50 |
|
[MG]G:204 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
7254 |
30.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.237 |
51 |
|
[MG]B:201 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
7239 |
27.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.237 |
52 |
|
[MG]F:201 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
7318 |
27.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.237 |
53 |
|
[MG]B:202 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
7279 |
27.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.237 |
54 |
|
[MG]F:202 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
7226 |
25.8 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.237 |
| Average: |
30.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.237 |
| 24 |
55 |
|
I |
4 |
1 |
7262 |
◊ |
A |
y,x,-z |
7_555 |
6 |
2 |
7184 |
32.0 |
-0.2 |
0.631 |
0 |
0 |
0 |
0.000 |
| 25 |
56 |
|
[MG]G:202 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
4 |
3 |
7318 |
29.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.057 |
| 26 |
57 |
|
H |
2 |
1 |
7318 |
◊ |
F |
-y+1/2,x+1/2,z+1/4 |
3_555 |
4 |
2 |
7226 |
22.9 |
-0.7 |
0.321 |
0 |
0 |
0 |
0.000 |
| 27 |
58 |
|
G |
2 |
2 |
7254 |
◊ |
D |
y-1,x+1,-z |
7_465 |
1 |
1 |
7123 |
18.8 |
-0.0 |
0.529 |
0 |
0 |
0 |
0.000 |
| 28 |
59 |
|
G |
3 |
2 |
7254 |
◊ |
A |
-y-1/2,x+1/2,z+1/4 |
3_455 |
3 |
2 |
7184 |
17.2 |
-0.1 |
0.556 |
0 |
0 |
0 |
0.000 |
| 29 |
60 |
|
I |
2 |
2 |
7262 |
◊ |
F |
-y+1/2,x+1/2,z+1/4 |
3_555 |
4 |
2 |
7226 |
13.3 |
-0.1 |
0.513 |
0 |
0 |
0 |
0.000 |
| 30 |
61 |
|
I |
1 |
1 |
7262 |
◊ |
H |
y-1,x,-z |
7_455 |
3 |
1 |
7318 |
12.9 |
0.5 |
0.767 |
0 |
0 |
0 |
0.000 |
| 31 |
62 |
|
B |
2 |
1 |
7279 |
◊ |
F |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
1 |
1 |
7226 |
7.5 |
-0.2 |
0.393 |
0 |
0 |
0 |
0.000 |
| 32 |
63 |
|
B |
1 |
1 |
7279 |
◊ |
E |
y-1,x,-z |
7_455 |
2 |
2 |
7251 |
6.9 |
-0.2 |
0.423 |
0 |
0 |
0 |
0.000 |
| 33 |
64 |
|
[MG]F:202 |
1 |
1 |
98 |
◊ |
[MG]F:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.040 |
| 34 |
65 |
|
[MG]B:201 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7184 |
5.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.013 |
66 |
|
[MG]D:202 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
7226 |
3.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.013 |
67 |
|
[MG]G:201 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
7318 |
2.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.013 |
68 |
|
[MG]F:202 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
7254 |
2.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.013 |
69 |
|
[MG]F:201 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
7251 |
1.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.013 |
70 |
|
[MG]B:202 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
7123 |
0.4 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
2.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.013 |
| 35 |
71 |
|
J |
2 |
2 |
7301 |
◊ |
H |
y-1,x,-z |
7_455 |
2 |
1 |
7318 |
4.6 |
-0.1 |
0.545 |
0 |
0 |
0 |
0.000 |
| 36 |
72 |
|
[MG]B:202 |
1 |
1 |
98 |
◊ |
[MG]B:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.030 |
| 37 |
73 |
|
I |
1 |
1 |
7262 |
◊ |
F |
y-1,x,-z |
7_455 |
1 |
1 |
7226 |
4.3 |
0.2 |
0.825 |
0 |
0 |
0 |
0.000 |
| 38 |
74 |
|
J |
1 |
1 |
7301 |
◊ |
E |
y-1,x,-z |
7_455 |
1 |
1 |
7251 |
2.4 |
0.1 |
0.635 |
0 |
0 |
0 |
0.000 |
| 39 |
75 |
|
[MG]G:204 |
1 |
1 |
98 |
◊ |
[MG]G:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
| 40 |
76 |
|
J |
1 |
1 |
7301 |
◊ |
A |
-y-1/2,x+1/2,z+1/4 |
3_455 |
1 |
1 |
7184 |
0.7 |
-0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
|