| ## |
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 |
|
C |
298 |
77 |
22956 |
◊ |
A |
x,y,z |
1_555 |
294 |
77 |
23005 |
2909.7 |
-39.5 |
0.009 |
33 |
18 |
0 |
0.174 |
2 |
|
D |
293 |
75 |
22836 |
◊ |
B |
x,y,z |
1_555 |
297 |
76 |
21995 |
2885.0 |
-39.4 |
0.010 |
32 |
20 |
0 |
0.174 |
| Average: |
2897.4 |
-39.4 |
0.010 |
33 |
19 |
0 |
0.174 |
| 2 |
3 |
|
D |
141 |
37 |
22836 |
◊ |
C |
x,y,z |
1_555 |
145 |
38 |
22956 |
1499.6 |
-7.8 |
0.440 |
22 |
11 |
0 |
0.067 |
4 |
|
B |
145 |
38 |
21995 |
◊ |
A |
x,y,z |
1_555 |
143 |
37 |
23005 |
1482.5 |
-7.6 |
0.452 |
22 |
10 |
0 |
0.067 |
| Average: |
1491.1 |
-7.7 |
0.446 |
22 |
11 |
0 |
0.067 |
| 3 |
5 |
|
D |
55 |
15 |
22836 |
◊ |
C |
x,y,z-1 |
1_554 |
52 |
16 |
22956 |
530.8 |
-2.6 |
0.461 |
5 |
3 |
0 |
0.000 |
| 4 |
6 |
|
B |
55 |
20 |
21995 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
48 |
19 |
22956 |
422.7 |
0.7 |
0.737 |
1 |
2 |
0 |
0.000 |
| 5 |
7 |
|
[FBP]D:580 |
20 |
1 |
478 |
f |
D |
x,y,z |
1_555 |
51 |
20 |
22836 |
328.5 |
-5.0 |
0.673 |
18 |
0 |
0 |
0.091 |
8 |
|
[FBP]A:580 |
20 |
1 |
479 |
f |
A |
x,y,z |
1_555 |
48 |
19 |
23005 |
327.3 |
-4.7 |
0.686 |
18 |
0 |
0 |
0.091 |
9 |
|
[FBP]C:580 |
20 |
1 |
476 |
f |
C |
x,y,z |
1_555 |
51 |
20 |
22956 |
326.9 |
-4.7 |
0.685 |
19 |
0 |
0 |
0.091 |
10 |
|
[FBP]B:580 |
20 |
1 |
476 |
f |
B |
x,y,z |
1_555 |
51 |
19 |
21995 |
326.6 |
-4.7 |
0.682 |
17 |
0 |
0 |
0.091 |
| Average: |
327.3 |
-4.8 |
0.682 |
18 |
0 |
0 |
0.091 |
| 6 |
11 |
|
B |
35 |
10 |
21995 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
33 |
10 |
22956 |
285.9 |
3.4 |
0.863 |
1 |
3 |
0 |
0.000 |
| 7 |
12 |
|
C |
31 |
12 |
22956 |
◊ |
A |
x-1,y,z |
1_455 |
30 |
9 |
23005 |
275.5 |
0.0 |
0.658 |
1 |
1 |
0 |
0.000 |
| 8 |
13 |
|
B |
24 |
9 |
21995 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
22 |
6 |
22836 |
235.3 |
-2.7 |
0.304 |
0 |
0 |
0 |
0.000 |
| 9 |
14 |
|
D |
26 |
9 |
22836 |
◊ |
A |
x-1,y,z-1 |
1_454 |
27 |
10 |
23005 |
228.7 |
-1.2 |
0.510 |
1 |
1 |
0 |
0.000 |
| 10 |
15 |
|
D |
25 |
9 |
22836 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
25 |
7 |
22956 |
221.7 |
-2.1 |
0.390 |
0 |
0 |
0 |
0.000 |
| 11 |
16 |
|
D |
24 |
8 |
22836 |
◊ |
A |
x,y,z-1 |
1_554 |
16 |
6 |
23005 |
168.1 |
-0.0 |
0.643 |
1 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[PGA]B:581 |
9 |
1 |
267 |
f |
B |
x,y,z |
1_555 |
30 |
19 |
21995 |
149.8 |
-1.6 |
0.786 |
7 |
0 |
0 |
0.033 |
18 |
|
[PGA]D:581 |
9 |
1 |
267 |
f |
D |
x,y,z |
1_555 |
30 |
18 |
22836 |
149.7 |
-1.6 |
0.764 |
7 |
0 |
0 |
0.033 |
19 |
|
[PGA]C:581 |
9 |
1 |
267 |
f |
C |
x,y,z |
1_555 |
29 |
17 |
22956 |
147.4 |
-1.5 |
0.775 |
7 |
0 |
0 |
0.033 |
20 |
|
[PGA]A:581 |
9 |
1 |
268 |
f |
A |
x,y,z |
1_555 |
29 |
16 |
23005 |
139.9 |
-1.3 |
0.790 |
7 |
0 |
0 |
0.033 |
| Average: |
146.7 |
-1.5 |
0.779 |
7 |
0 |
0 |
0.033 |
| 13 |
21 |
|
B |
19 |
7 |
21995 |
◊ |
A |
x-1,y,z |
1_455 |
15 |
6 |
23005 |
119.6 |
0.0 |
0.550 |
0 |
0 |
0 |
0.000 |
| 14 |
22 |
|
[K]D:594 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
17 |
12 |
22836 |
104.4 |
-83.3 |
0.000 |
0 |
0 |
0 |
0.572 |
23 |
|
[K]A:582 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
12 |
23005 |
104.4 |
-80.0 |
0.000 |
0 |
0 |
0 |
0.572 |
24 |
|
[K]C:590 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
14 |
11 |
22956 |
101.9 |
-81.8 |
0.000 |
0 |
0 |
0 |
0.572 |
25 |
|
[K]B:586 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
14 |
11 |
21995 |
100.5 |
-82.6 |
0.000 |
0 |
0 |
0 |
0.572 |
| Average: |
102.8 |
-81.9 |
0.000 |
0 |
0 |
0 |
0.572 |
| 15 |
26 |
|
D |
10 |
5 |
22836 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
4 |
23005 |
85.3 |
1.3 |
0.800 |
2 |
1 |
0 |
0.000 |
| 16 |
27 |
|
[MN]B:587 |
1 |
1 |
123 |
cf |
B |
x,y,z |
1_555 |
12 |
8 |
21995 |
46.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.019 |
28 |
|
[MN]D:595 |
1 |
1 |
123 |
cf |
D |
x,y,z |
1_555 |
12 |
8 |
22836 |
42.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.019 |
29 |
|
[MN]C:591 |
1 |
1 |
123 |
cf |
C |
x,y,z |
1_555 |
14 |
8 |
22956 |
42.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.019 |
30 |
|
[MN]A:583 |
1 |
1 |
123 |
cf |
A |
x,y,z |
1_555 |
15 |
7 |
23005 |
39.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.019 |
| Average: |
42.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.019 |
| 17 |
31 |
|
[K]A:582 |
1 |
1 |
216 |
f |
[PGA]A:581 |
x,y,z |
1_555 |
5 |
1 |
268 |
42.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.138 |
32 |
|
[K]C:590 |
1 |
1 |
216 |
f |
[PGA]C:581 |
x,y,z |
1_555 |
4 |
1 |
267 |
40.7 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.138 |
33 |
|
[K]D:594 |
1 |
1 |
216 |
f |
[PGA]D:581 |
x,y,z |
1_555 |
5 |
1 |
267 |
40.0 |
-19.2 |
0.000 |
0 |
0 |
0 |
0.138 |
34 |
|
[K]B:586 |
1 |
1 |
216 |
f |
[PGA]B:581 |
x,y,z |
1_555 |
5 |
1 |
267 |
39.9 |
-19.2 |
0.000 |
0 |
0 |
0 |
0.138 |
| Average: |
40.8 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.138 |
| 18 |
35 |
|
[MN]A:583 |
1 |
1 |
123 |
cf |
[PGA]A:581 |
x,y,z |
1_555 |
6 |
1 |
268 |
40.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.024 |
36 |
|
[MN]C:591 |
1 |
1 |
123 |
cf |
[PGA]C:581 |
x,y,z |
1_555 |
7 |
1 |
267 |
39.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.024 |
37 |
|
[MN]D:595 |
1 |
1 |
123 |
cf |
[PGA]D:581 |
x,y,z |
1_555 |
7 |
1 |
267 |
38.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.024 |
38 |
|
[MN]B:587 |
1 |
1 |
123 |
f |
[PGA]B:581 |
x,y,z |
1_555 |
7 |
1 |
267 |
38.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.024 |
| Average: |
39.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.024 |
| 19 |
39 |
|
D |
4 |
1 |
22836 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
23005 |
26.8 |
-0.1 |
0.590 |
0 |
0 |
0 |
0.000 |
40 |
|
C |
4 |
1 |
22956 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
21995 |
25.5 |
-0.1 |
0.601 |
0 |
0 |
0 |
0.000 |
| Average: |
26.1 |
-0.1 |
0.595 |
0 |
0 |
0 |
0.000 |
| 20 |
41 |
|
[MN]A:583 |
1 |
1 |
123 |
f |
[K]A:582 |
x,y,z |
1_555 |
1 |
1 |
216 |
19.0 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.038 |
| 21 |
42 |
|
[MN]C:591 |
1 |
1 |
123 |
f |
[K]C:590 |
x,y,z |
1_555 |
1 |
1 |
216 |
17.0 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.034 |
| 22 |
43 |
|
[MN]B:587 |
1 |
1 |
123 |
f |
[K]B:586 |
x,y,z |
1_555 |
1 |
1 |
216 |
15.2 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.031 |
| 23 |
44 |
|
B |
1 |
1 |
21995 |
x |
B |
x-1,y,z |
1_455 |
1 |
1 |
21995 |
14.6 |
-0.1 |
0.368 |
0 |
0 |
0 |
0.000 |
| 24 |
45 |
|
[MN]D:595 |
1 |
1 |
123 |
f |
[K]D:594 |
x,y,z |
1_555 |
1 |
1 |
216 |
13.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.028 |
|