| ## |
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 |
|
A |
222 |
60 |
12658 |
◊ |
C |
-x+1/2,-y-1,z-1/2 |
2_544 |
220 |
56 |
12697 |
2103.6 |
-16.6 |
0.282 |
26 |
5 |
0 |
0.709 |
2 |
|
D |
212 |
57 |
12832 |
◊ |
B |
x,y,z |
1_555 |
214 |
58 |
12689 |
2071.0 |
-16.7 |
0.290 |
24 |
5 |
0 |
0.709 |
| Average: |
2087.3 |
-16.6 |
0.286 |
25 |
5 |
0 |
0.709 |
| 2 |
3 |
|
[OF7]C:601 |
31 |
1 |
644 |
◊ |
C |
x,y,z |
1_555 |
65 |
24 |
12697 |
413.2 |
1.9 |
0.323 |
4 |
0 |
0 |
0.000 |
4 |
|
[OF7]D:601 |
31 |
1 |
639 |
◊ |
D |
x,y,z |
1_555 |
63 |
22 |
12832 |
403.2 |
2.0 |
0.329 |
4 |
0 |
0 |
0.000 |
| Average: |
408.2 |
1.9 |
0.326 |
4 |
0 |
0 |
0.000 |
| 3 |
5 |
|
[OF7]B:601 |
31 |
1 |
633 |
◊ |
B |
x,y,z |
1_555 |
53 |
20 |
12689 |
379.6 |
1.7 |
0.232 |
3 |
0 |
0 |
0.000 |
6 |
|
[OF7]A:601 |
29 |
1 |
627 |
◊ |
A |
x,y,z |
1_555 |
56 |
19 |
12658 |
376.7 |
2.1 |
0.288 |
3 |
0 |
0 |
0.000 |
| Average: |
378.1 |
1.9 |
0.260 |
3 |
0 |
0 |
0.000 |
| 4 |
7 |
|
B |
24 |
10 |
12689 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
32 |
10 |
12832 |
270.9 |
-2.0 |
0.423 |
3 |
4 |
0 |
0.000 |
8 |
|
C |
26 |
8 |
12697 |
◊ |
A |
x,y,z |
1_555 |
20 |
9 |
12658 |
235.3 |
-1.8 |
0.385 |
2 |
3 |
0 |
0.000 |
| Average: |
253.1 |
-1.9 |
0.404 |
3 |
4 |
0 |
0.000 |
| 5 |
9 |
|
[UMP]C:600 |
19 |
1 |
452 |
f |
C |
x,y,z |
1_555 |
35 |
16 |
12697 |
232.8 |
-1.2 |
0.589 |
11 |
0 |
0 |
0.304 |
10 |
|
[UMP]D:600 |
19 |
1 |
449 |
f |
D |
x,y,z |
1_555 |
36 |
17 |
12832 |
232.1 |
-1.3 |
0.582 |
11 |
0 |
0 |
0.304 |
11 |
|
[UMP]A:600 |
19 |
1 |
448 |
f |
A |
x,y,z |
1_555 |
34 |
16 |
12658 |
231.7 |
-1.0 |
0.605 |
11 |
0 |
0 |
0.304 |
12 |
|
[UMP]B:600 |
19 |
1 |
449 |
f |
B |
x,y,z |
1_555 |
33 |
16 |
12689 |
231.5 |
-1.1 |
0.579 |
11 |
0 |
0 |
0.304 |
| Average: |
232.0 |
-1.1 |
0.589 |
11 |
0 |
0 |
0.304 |
| 6 |
13 |
|
C |
19 |
7 |
12697 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
21 |
7 |
12832 |
194.6 |
0.6 |
0.711 |
3 |
2 |
0 |
0.000 |
| 7 |
14 |
|
C |
22 |
8 |
12697 |
◊ |
B |
x,y,z |
1_555 |
25 |
9 |
12689 |
180.5 |
-1.4 |
0.415 |
1 |
0 |
0 |
0.000 |
15 |
|
A |
20 |
8 |
12658 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
21 |
7 |
12832 |
162.1 |
-1.3 |
0.454 |
0 |
0 |
0 |
0.000 |
| Average: |
171.3 |
-1.3 |
0.435 |
1 |
0 |
0 |
0.000 |
| 8 |
16 |
|
A |
15 |
3 |
12658 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
13 |
4 |
12832 |
125.7 |
0.3 |
0.705 |
1 |
0 |
0 |
0.000 |
| 9 |
17 |
|
B |
12 |
5 |
12689 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
12658 |
104.6 |
0.3 |
0.714 |
0 |
0 |
0 |
0.000 |
| 10 |
18 |
|
B |
16 |
6 |
12689 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
16 |
7 |
12658 |
104.1 |
-0.4 |
0.601 |
0 |
0 |
0 |
0.000 |
| 11 |
19 |
|
A |
10 |
3 |
12658 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
17 |
4 |
12697 |
98.8 |
-1.6 |
0.315 |
1 |
0 |
0 |
0.000 |
| 12 |
20 |
|
A |
14 |
2 |
12658 |
◊ |
[UMP]C:600 |
-x+1/2,-y-1,z-1/2 |
2_544 |
9 |
1 |
452 |
93.3 |
-2.3 |
0.335 |
4 |
0 |
0 |
0.189 |
21 |
|
[UMP]A:600 |
9 |
1 |
448 |
◊ |
C |
-x+1/2,-y-1,z-1/2 |
2_544 |
13 |
2 |
12697 |
88.9 |
-2.3 |
0.352 |
3 |
0 |
0 |
0.189 |
| Average: |
91.1 |
-2.3 |
0.344 |
4 |
0 |
0 |
0.189 |
| 13 |
22 |
|
[UMP]B:600 |
9 |
1 |
449 |
◊ |
D |
x,y,z |
1_555 |
14 |
3 |
12832 |
92.3 |
-2.3 |
0.330 |
3 |
0 |
0 |
0.179 |
23 |
|
[UMP]D:600 |
8 |
1 |
449 |
◊ |
B |
x,y,z |
1_555 |
14 |
2 |
12689 |
91.5 |
-2.2 |
0.325 |
3 |
0 |
0 |
0.179 |
| Average: |
91.9 |
-2.3 |
0.328 |
3 |
0 |
0 |
0.179 |
| 14 |
24 |
|
[OF7]B:601 |
13 |
1 |
633 |
◊ |
[UMP]B:600 |
x,y,z |
1_555 |
13 |
1 |
449 |
79.3 |
3.5 |
0.545 |
0 |
0 |
0 |
0.000 |
25 |
|
[OF7]A:601 |
13 |
1 |
627 |
◊ |
[UMP]A:600 |
x,y,z |
1_555 |
13 |
1 |
448 |
79.3 |
3.6 |
0.589 |
0 |
0 |
0 |
0.000 |
| Average: |
79.3 |
3.5 |
0.567 |
0 |
0 |
0 |
0.000 |
| 15 |
26 |
|
[OF7]C:601 |
13 |
1 |
644 |
◊ |
[UMP]C:600 |
x,y,z |
1_555 |
13 |
1 |
452 |
77.1 |
3.4 |
0.578 |
0 |
0 |
0 |
0.000 |
27 |
|
[OF7]D:601 |
13 |
1 |
639 |
◊ |
[UMP]D:600 |
x,y,z |
1_555 |
13 |
1 |
449 |
75.1 |
3.3 |
0.575 |
0 |
0 |
0 |
0.000 |
| Average: |
76.1 |
3.4 |
0.576 |
0 |
0 |
0 |
0.000 |
| 16 |
28 |
|
C |
10 |
4 |
12697 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
6 |
1 |
12658 |
67.6 |
-1.5 |
0.232 |
0 |
0 |
0 |
0.000 |
| 17 |
29 |
|
C |
8 |
3 |
12697 |
◊ |
D |
x,y-1,z |
1_545 |
12 |
5 |
12832 |
59.0 |
0.6 |
0.766 |
1 |
1 |
0 |
0.000 |
30 |
|
D |
5 |
2 |
12832 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
12697 |
53.5 |
1.1 |
0.857 |
1 |
1 |
0 |
0.000 |
| Average: |
56.2 |
0.9 |
0.811 |
1 |
1 |
0 |
0.000 |
| 18 |
31 |
|
A |
9 |
4 |
12658 |
◊ |
[OF7]D:601 |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
639 |
54.7 |
0.8 |
0.586 |
0 |
0 |
0 |
0.000 |
32 |
|
[OF7]C:601 |
3 |
1 |
644 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
12689 |
48.8 |
0.7 |
0.613 |
0 |
0 |
0 |
0.000 |
| Average: |
51.7 |
0.7 |
0.600 |
0 |
0 |
0 |
0.000 |
| 19 |
33 |
|
D |
5 |
2 |
12832 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
9 |
2 |
12658 |
53.5 |
-0.2 |
0.594 |
0 |
0 |
0 |
0.000 |
| 20 |
34 |
|
A |
4 |
2 |
12658 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
4 |
3 |
12689 |
28.6 |
-0.1 |
0.554 |
0 |
0 |
0 |
0.000 |
| 21 |
35 |
|
C |
1 |
1 |
12697 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
12832 |
28.4 |
-0.4 |
0.189 |
0 |
0 |
0 |
0.000 |
| 22 |
36 |
|
B |
4 |
2 |
12689 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
4 |
2 |
12689 |
12.0 |
-0.2 |
0.546 |
0 |
0 |
0 |
0.000 |
| 23 |
37 |
|
B |
2 |
2 |
12689 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
2 |
2 |
12697 |
7.8 |
-0.0 |
0.580 |
0 |
0 |
0 |
0.000 |
| 24 |
38 |
|
[OF7]A:601 |
1 |
1 |
627 |
f |
C |
-x+1/2,-y-1,z-1/2 |
2_544 |
1 |
1 |
12697 |
0.6 |
0.0 |
0.575 |
0 |
0 |
0 |
0.000 |
| 25 |
39 |
|
[OF7]D:601 |
1 |
1 |
639 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
12689 |
0.3 |
0.0 |
0.564 |
0 |
0 |
0 |
0.000 |
|