## |
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 |
116 |
37 |
17085 |
◊ |
C |
x,y,z |
1_555 |
97 |
30 |
18294 |
979.8 |
-10.8 |
0.116 |
8 |
3 |
0 |
0.000 |
2 |
|
C |
114 |
36 |
18294 |
◊ |
D |
x,y-1,z |
1_545 |
88 |
28 |
17085 |
946.3 |
-8.3 |
0.171 |
11 |
4 |
0 |
0.000 |
3 |
|
B |
90 |
29 |
17960 |
◊ |
A |
x,y,z |
1_555 |
104 |
35 |
17075 |
886.6 |
-8.5 |
0.220 |
8 |
3 |
0 |
0.000 |
4 |
|
A |
84 |
26 |
17075 |
◊ |
B |
x-1,y,z |
1_455 |
104 |
33 |
17960 |
852.4 |
-9.8 |
0.146 |
7 |
3 |
0 |
0.000 |
Average: |
916.3 |
-9.4 |
0.163 |
9 |
3 |
0 |
0.000 |
2 |
5 |
|
C |
62 |
18 |
18294 |
◊ |
B |
x,y-1,z |
1_545 |
44 |
12 |
17960 |
538.2 |
-2.4 |
0.525 |
11 |
0 |
0 |
0.000 |
6 |
|
C |
45 |
12 |
18294 |
◊ |
B |
x-1,y,z |
1_455 |
61 |
18 |
17960 |
512.1 |
-2.1 |
0.531 |
12 |
0 |
0 |
0.000 |
Average: |
525.1 |
-2.3 |
0.528 |
12 |
0 |
0 |
0.000 |
3 |
7 |
|
D |
52 |
15 |
17085 |
◊ |
B |
x,y,z-1 |
1_554 |
50 |
17 |
17960 |
438.1 |
-2.0 |
0.531 |
6 |
0 |
0 |
0.000 |
4 |
8 |
|
C |
36 |
13 |
18294 |
◊ |
A |
x,y,z |
1_555 |
29 |
7 |
17075 |
325.1 |
-1.4 |
0.435 |
3 |
2 |
0 |
0.000 |
9 |
|
D |
26 |
7 |
17085 |
◊ |
B |
x,y,z |
1_555 |
36 |
12 |
17960 |
298.3 |
-2.3 |
0.375 |
3 |
1 |
0 |
0.000 |
Average: |
311.7 |
-1.8 |
0.405 |
3 |
2 |
0 |
0.000 |
5 |
10 |
|
C |
33 |
12 |
18294 |
◊ |
A |
x,y,z-1 |
1_554 |
40 |
13 |
17075 |
302.7 |
0.2 |
0.712 |
5 |
1 |
0 |
0.000 |
6 |
11 |
|
[GRK]C:504 |
21 |
1 |
512 |
f |
C |
x,y,z |
1_555 |
46 |
13 |
18294 |
295.7 |
2.4 |
0.498 |
3 |
0 |
0 |
0.000 |
12 |
|
[GRK]B:504 |
21 |
1 |
509 |
f |
B |
x,y,z |
1_555 |
46 |
14 |
17960 |
289.0 |
2.4 |
0.523 |
3 |
0 |
0 |
0.000 |
13 |
|
[GRK]A:504 |
21 |
1 |
518 |
f |
A |
x,y,z |
1_555 |
44 |
14 |
17075 |
279.2 |
2.4 |
0.526 |
2 |
0 |
0 |
0.000 |
14 |
|
[GRK]D:504 |
22 |
1 |
518 |
f |
D |
x,y,z |
1_555 |
44 |
14 |
17085 |
279.1 |
1.4 |
0.365 |
2 |
0 |
0 |
0.000 |
Average: |
285.7 |
2.1 |
0.478 |
3 |
0 |
0 |
0.000 |
7 |
15 |
|
D |
20 |
8 |
17085 |
◊ |
B |
x-1,y,z |
1_455 |
19 |
6 |
17960 |
178.4 |
0.0 |
0.660 |
4 |
4 |
0 |
0.000 |
16 |
|
C |
18 |
8 |
18294 |
◊ |
A |
x,y-1,z |
1_545 |
18 |
8 |
17075 |
152.0 |
-0.7 |
0.545 |
2 |
2 |
0 |
0.000 |
Average: |
165.2 |
-0.3 |
0.602 |
3 |
3 |
0 |
0.000 |
8 |
17 |
|
[DMF]A:505 |
5 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
31 |
9 |
17075 |
147.7 |
3.5 |
0.485 |
0 |
0 |
0 |
0.000 |
9 |
18 |
|
[DMF]C:505 |
5 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
29 |
9 |
18294 |
144.3 |
3.3 |
0.483 |
0 |
0 |
0 |
0.000 |
10 |
19 |
|
[DMF]D:506 |
5 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
25 |
8 |
17085 |
142.9 |
3.0 |
0.421 |
1 |
0 |
0 |
0.000 |
11 |
20 |
|
[DMF]C:506 |
5 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
25 |
7 |
18294 |
142.5 |
2.6 |
0.407 |
0 |
0 |
0 |
0.000 |
12 |
21 |
|
[DMF]A:507 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
26 |
7 |
17075 |
142.4 |
3.2 |
0.442 |
0 |
0 |
0 |
0.000 |
13 |
22 |
|
[GOL]B:514 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
17960 |
141.9 |
-0.1 |
0.597 |
8 |
0 |
0 |
0.003 |
23 |
|
[GOL]A:509 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
17075 |
139.8 |
-0.3 |
0.564 |
8 |
0 |
0 |
0.003 |
Average: |
140.8 |
-0.2 |
0.580 |
8 |
0 |
0 |
0.003 |
14 |
24 |
|
[DMF]B:510 |
5 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
25 |
7 |
17960 |
141.8 |
3.1 |
0.451 |
1 |
0 |
0 |
0.000 |
15 |
25 |
|
[DMF]D:508 |
5 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
27 |
9 |
17085 |
141.5 |
3.4 |
0.474 |
0 |
0 |
0 |
0.000 |
16 |
26 |
|
[GOL]D:512 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
17085 |
140.8 |
-0.1 |
0.585 |
7 |
0 |
0 |
0.002 |
17 |
27 |
|
[DMF]B:508 |
5 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
17960 |
140.6 |
3.2 |
0.464 |
0 |
0 |
0 |
0.000 |
18 |
28 |
|
[GOL]C:511 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
18294 |
140.5 |
-0.2 |
0.594 |
7 |
0 |
0 |
0.002 |
19 |
29 |
|
[DMF]B:512 |
5 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
24 |
8 |
17960 |
140.2 |
2.4 |
0.374 |
0 |
0 |
0 |
0.000 |
20 |
30 |
|
[DMF]C:508 |
5 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
25 |
9 |
18294 |
140.0 |
2.3 |
0.363 |
0 |
0 |
0 |
0.000 |
21 |
31 |
|
[DMF]D:510 |
5 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
23 |
9 |
17085 |
139.2 |
3.8 |
0.500 |
0 |
0 |
0 |
0.000 |
22 |
32 |
|
[DMF]B:505 |
5 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
29 |
9 |
17960 |
137.6 |
3.7 |
0.519 |
0 |
0 |
0 |
0.000 |
23 |
33 |
|
[GOL]D:511 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
21 |
7 |
17085 |
131.1 |
-0.2 |
0.601 |
3 |
0 |
0 |
0.001 |
34 |
|
[GOL]C:510 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
20 |
7 |
18294 |
127.1 |
-0.2 |
0.586 |
4 |
0 |
0 |
0.001 |
Average: |
129.1 |
-0.2 |
0.594 |
4 |
0 |
0 |
0.001 |
24 |
35 |
|
[DMF]C:509 |
5 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
18294 |
129.1 |
4.1 |
0.541 |
2 |
0 |
0 |
0.000 |
25 |
36 |
|
[DMF]B:509 |
5 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
17960 |
125.9 |
3.4 |
0.497 |
1 |
0 |
0 |
0.000 |
26 |
37 |
|
[DMF]B:506 |
5 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
17960 |
120.0 |
2.5 |
0.398 |
0 |
0 |
0 |
0.000 |
27 |
38 |
|
[DMF]B:507 |
5 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
17960 |
118.0 |
2.9 |
0.445 |
1 |
0 |
0 |
0.000 |
28 |
39 |
|
[DMF]D:505 |
5 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
17085 |
117.3 |
2.4 |
0.393 |
0 |
0 |
0 |
0.000 |
29 |
40 |
|
[DMF]B:513 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
20 |
5 |
17960 |
116.0 |
2.4 |
0.396 |
0 |
0 |
0 |
0.000 |
30 |
41 |
|
[DMF]D:507 |
5 |
1 |
215 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
17085 |
115.2 |
3.2 |
0.487 |
1 |
0 |
0 |
0.000 |
31 |
42 |
|
[K]B:503 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
17960 |
114.3 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.082 |
43 |
|
[K]D:503 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
17085 |
114.0 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.082 |
44 |
|
[K]A:503 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
17075 |
114.0 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.082 |
45 |
|
[K]C:503 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
18294 |
113.9 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.082 |
Average: |
114.0 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.082 |
32 |
46 |
|
D |
17 |
7 |
17085 |
◊ |
A |
x,y,z-1 |
1_554 |
17 |
4 |
17075 |
113.4 |
-0.2 |
0.611 |
1 |
1 |
0 |
0.000 |
33 |
47 |
|
[DMF]C:507 |
5 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
24 |
7 |
18294 |
113.3 |
1.9 |
0.363 |
0 |
0 |
0 |
0.000 |
34 |
48 |
|
[DMF]A:508 |
5 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
21 |
5 |
17075 |
108.8 |
2.1 |
0.354 |
0 |
0 |
0 |
0.000 |
35 |
49 |
|
[DMF]B:511 |
5 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
21 |
5 |
17960 |
102.3 |
1.9 |
0.370 |
0 |
0 |
0 |
0.000 |
36 |
50 |
|
[DMF]A:510 |
5 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
17075 |
94.5 |
2.3 |
0.378 |
1 |
0 |
0 |
0.000 |
37 |
51 |
|
[DMF]D:509 |
5 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
17 |
7 |
17085 |
87.4 |
2.4 |
0.405 |
0 |
0 |
0 |
0.000 |
38 |
52 |
|
[DMF]A:506 |
5 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
17075 |
86.9 |
2.4 |
0.404 |
1 |
0 |
0 |
0.000 |
39 |
53 |
|
[DMF]A:510 |
5 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
17960 |
82.4 |
0.3 |
0.179 |
0 |
0 |
0 |
0.000 |
40 |
54 |
|
C |
9 |
2 |
18294 |
f |
[DMF]D:509 |
x,y-1,z |
1_545 |
5 |
1 |
216 |
70.0 |
1.8 |
0.317 |
1 |
0 |
0 |
0.000 |
41 |
55 |
|
[DMF]A:506 |
5 |
1 |
215 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
3 |
17960 |
69.6 |
2.6 |
0.437 |
0 |
0 |
0 |
0.000 |
42 |
56 |
|
[GRK]A:504 |
8 |
1 |
518 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
2 |
17960 |
55.3 |
-0.3 |
0.368 |
1 |
0 |
0 |
0.000 |
57 |
|
[GRK]C:504 |
6 |
1 |
512 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
17085 |
50.0 |
-0.4 |
0.327 |
0 |
0 |
0 |
0.000 |
58 |
|
C |
7 |
2 |
18294 |
◊ |
[GRK]D:504 |
x,y-1,z |
1_545 |
8 |
1 |
518 |
49.3 |
-0.2 |
0.355 |
0 |
0 |
0 |
0.000 |
59 |
|
[GRK]B:504 |
6 |
1 |
509 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
17075 |
45.9 |
-0.3 |
0.351 |
0 |
0 |
0 |
0.000 |
Average: |
50.1 |
-0.3 |
0.350 |
0 |
0 |
0 |
0.000 |
43 |
60 |
|
[GOL]C:510 |
3 |
1 |
217 |
◊ |
D |
x,y-1,z |
1_545 |
9 |
4 |
17085 |
51.1 |
0.1 |
0.606 |
1 |
0 |
0 |
0.000 |
61 |
|
[GOL]D:511 |
3 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
18294 |
49.7 |
-0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
Average: |
50.4 |
0.0 |
0.603 |
1 |
0 |
0 |
0.000 |
44 |
62 |
|
D |
3 |
2 |
17085 |
f |
[DMF]B:509 |
x-1,y,z |
1_455 |
5 |
1 |
216 |
47.5 |
0.8 |
0.232 |
1 |
0 |
0 |
0.000 |
45 |
63 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
17075 |
37.1 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.019 |
64 |
|
[ZN]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
18294 |
36.8 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.019 |
65 |
|
[ZN]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
17085 |
36.6 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.019 |
66 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
17960 |
36.3 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
36.7 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.019 |
46 |
67 |
|
C |
5 |
2 |
18294 |
◊ |
B |
x-1,y-1,z |
1_445 |
5 |
2 |
17960 |
33.3 |
0.4 |
0.760 |
0 |
0 |
0 |
0.000 |
47 |
68 |
|
[GRK]C:504 |
4 |
1 |
512 |
f |
[ZN]C:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.8 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.010 |
69 |
|
[GRK]B:504 |
4 |
1 |
509 |
f |
[ZN]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.5 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.010 |
70 |
|
[GRK]A:504 |
4 |
1 |
518 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.8 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.010 |
71 |
|
[GRK]D:504 |
5 |
1 |
518 |
f |
[ZN]D:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.8 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
31.2 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.010 |
48 |
72 |
|
D |
3 |
1 |
17085 |
◊ |
[DMF]B:511 |
x,y,z-1 |
1_554 |
2 |
1 |
216 |
29.6 |
1.2 |
0.553 |
0 |
0 |
0 |
0.000 |
49 |
73 |
|
A |
3 |
2 |
17075 |
f |
[DMF]B:508 |
x-1,y,z |
1_455 |
2 |
1 |
216 |
22.6 |
0.8 |
0.474 |
0 |
0 |
0 |
0.000 |
50 |
74 |
|
C |
2 |
1 |
18294 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
17085 |
21.2 |
-0.1 |
0.261 |
0 |
0 |
0 |
0.000 |
51 |
75 |
|
[DMF]D:507 |
2 |
1 |
215 |
f |
A |
x,y,z-1 |
1_554 |
3 |
1 |
17075 |
20.6 |
0.8 |
0.517 |
0 |
0 |
0 |
0.000 |
52 |
76 |
|
[GOL]C:511 |
1 |
1 |
220 |
◊ |
[DMF]C:507 |
x,y,z |
1_555 |
2 |
1 |
217 |
19.8 |
0.3 |
0.327 |
0 |
0 |
0 |
0.000 |
53 |
77 |
|
[GOL]A:509 |
1 |
1 |
218 |
◊ |
[DMF]A:508 |
x,y,z |
1_555 |
2 |
1 |
218 |
10.7 |
0.2 |
0.400 |
0 |
0 |
0 |
0.000 |
54 |
78 |
|
[GOL]B:514 |
1 |
1 |
219 |
f |
[DMF]B:511 |
x,y,z |
1_555 |
2 |
1 |
216 |
3.7 |
-0.1 |
0.346 |
0 |
0 |
0 |
0.000 |
55 |
79 |
|
C |
1 |
1 |
18294 |
◊ |
[GOL]D:512 |
x,y-1,z |
1_545 |
1 |
1 |
219 |
2.9 |
0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
56 |
80 |
|
[DMF]A:508 |
1 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
18294 |
0.6 |
0.0 |
0.525 |
0 |
0 |
0 |
0.000 |
57 |
81 |
|
[DMF]C:507 |
1 |
1 |
217 |
f |
A |
x,y,z-1 |
1_554 |
1 |
1 |
17075 |
0.5 |
-0.0 |
0.522 |
0 |
0 |
0 |
0.000 |
|