| ## |
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 |
111 |
37 |
17073 |
◊ |
D |
x,y-1,z |
1_545 |
92 |
29 |
17240 |
914.4 |
-6.4 |
0.263 |
8 |
3 |
0 |
0.000 |
2 |
|
A |
83 |
28 |
16877 |
◊ |
B |
x-1,y,z |
1_455 |
100 |
31 |
16947 |
862.8 |
-8.3 |
0.177 |
7 |
2 |
0 |
0.000 |
3 |
|
D |
92 |
30 |
17240 |
◊ |
C |
x,y,z |
1_555 |
86 |
24 |
17073 |
813.0 |
-7.3 |
0.174 |
7 |
3 |
0 |
0.000 |
4 |
|
B |
80 |
24 |
16947 |
◊ |
A |
x,y,z |
1_555 |
90 |
30 |
16877 |
774.3 |
-9.1 |
0.140 |
6 |
3 |
0 |
0.000 |
| Average: |
841.1 |
-7.8 |
0.189 |
7 |
3 |
0 |
0.000 |
| 2 |
5 |
|
C |
49 |
15 |
17073 |
◊ |
A |
x,y,z-1 |
1_554 |
58 |
18 |
16877 |
457.5 |
1.6 |
0.821 |
10 |
2 |
0 |
0.000 |
| 3 |
6 |
|
C |
35 |
11 |
17073 |
◊ |
B |
x-1,y,z |
1_455 |
42 |
13 |
16947 |
392.8 |
-2.0 |
0.402 |
9 |
0 |
0 |
0.000 |
7 |
|
C |
44 |
13 |
17073 |
◊ |
B |
x,y-1,z |
1_545 |
35 |
11 |
16947 |
379.6 |
-1.8 |
0.445 |
9 |
0 |
0 |
0.000 |
| Average: |
386.2 |
-1.9 |
0.424 |
9 |
0 |
0 |
0.000 |
| 4 |
8 |
|
D |
41 |
13 |
17240 |
◊ |
B |
x,y,z-1 |
1_554 |
32 |
12 |
16947 |
344.9 |
1.5 |
0.802 |
7 |
2 |
0 |
0.000 |
| 5 |
9 |
|
C |
37 |
12 |
17073 |
◊ |
A |
x,y,z |
1_555 |
28 |
7 |
16877 |
325.1 |
-3.6 |
0.261 |
2 |
0 |
0 |
0.000 |
10 |
|
D |
30 |
7 |
17240 |
◊ |
B |
x,y,z |
1_555 |
31 |
10 |
16947 |
296.8 |
-3.2 |
0.251 |
2 |
0 |
0 |
0.000 |
| Average: |
311.0 |
-3.4 |
0.256 |
2 |
0 |
0 |
0.000 |
| 6 |
11 |
|
[GKW]A:504 |
21 |
1 |
518 |
f |
A |
x,y,z |
1_555 |
49 |
14 |
16877 |
300.7 |
-8.7 |
0.181 |
2 |
0 |
0 |
0.006 |
12 |
|
[GKW]B:504 |
21 |
1 |
514 |
f |
B |
x,y,z |
1_555 |
44 |
14 |
16947 |
284.0 |
-7.9 |
0.218 |
2 |
0 |
0 |
0.006 |
13 |
|
[GKW]D:504 |
21 |
1 |
512 |
f |
D |
x,y,z |
1_555 |
47 |
14 |
17240 |
275.4 |
-8.5 |
0.153 |
2 |
0 |
0 |
0.006 |
| Average: |
286.7 |
-8.4 |
0.184 |
2 |
0 |
0 |
0.006 |
| 7 |
14 |
|
[GKW]C:504 |
22 |
1 |
515 |
f |
C |
x,y,z |
1_555 |
46 |
14 |
17073 |
294.0 |
-7.5 |
0.282 |
2 |
0 |
0 |
0.005 |
| 8 |
15 |
|
[DMF]A:510 |
5 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
31 |
9 |
16877 |
144.9 |
3.1 |
0.457 |
0 |
0 |
0 |
0.000 |
| 9 |
16 |
|
[DMF]C:505 |
5 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
25 |
7 |
17073 |
144.6 |
3.1 |
0.439 |
0 |
0 |
0 |
0.000 |
| 10 |
17 |
|
[DMF]D:506 |
5 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
24 |
8 |
17240 |
143.7 |
3.5 |
0.447 |
0 |
0 |
0 |
0.000 |
| 11 |
18 |
|
D |
18 |
7 |
17240 |
◊ |
B |
x-1,y,z |
1_455 |
18 |
7 |
16947 |
143.0 |
0.7 |
0.733 |
2 |
3 |
0 |
0.000 |
19 |
|
C |
8 |
5 |
17073 |
◊ |
A |
x,y-1,z |
1_545 |
11 |
6 |
16877 |
56.2 |
0.3 |
0.692 |
1 |
2 |
0 |
0.000 |
| Average: |
99.6 |
0.5 |
0.712 |
2 |
3 |
0 |
0.000 |
| 12 |
20 |
|
D |
23 |
6 |
17240 |
◊ |
A |
x,y,z-1 |
1_554 |
25 |
9 |
16877 |
142.7 |
-0.3 |
0.603 |
2 |
1 |
0 |
0.000 |
| 13 |
21 |
|
[DMF]A:505 |
5 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
16877 |
141.8 |
3.3 |
0.477 |
0 |
0 |
0 |
0.000 |
| 14 |
22 |
|
[DMF]C:507 |
5 |
1 |
215 |
◊ |
C |
x,y,z |
1_555 |
23 |
8 |
17073 |
141.3 |
3.4 |
0.484 |
0 |
0 |
0 |
0.000 |
| 15 |
23 |
|
[DMF]B:507 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
24 |
7 |
16947 |
140.3 |
2.9 |
0.395 |
0 |
0 |
0 |
0.000 |
| 16 |
24 |
|
[GOL]C:511 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
21 |
10 |
17073 |
139.8 |
-0.3 |
0.581 |
8 |
0 |
0 |
0.002 |
| 17 |
25 |
|
[DMF]A:506 |
5 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
16877 |
139.4 |
3.3 |
0.447 |
2 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[GOL]D:507 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
20 |
9 |
17240 |
137.1 |
-0.3 |
0.568 |
8 |
0 |
0 |
0.002 |
| 19 |
27 |
|
[DMF]B:508 |
5 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
25 |
9 |
16947 |
137.1 |
3.8 |
0.526 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[GOL]A:511 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
16877 |
135.5 |
-0.0 |
0.611 |
9 |
0 |
0 |
0.003 |
| 21 |
29 |
|
[DMF]C:508 |
5 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
26 |
9 |
17073 |
125.0 |
3.5 |
0.539 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
[GOL]C:509 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
21 |
8 |
17073 |
123.3 |
0.6 |
0.689 |
5 |
0 |
0 |
0.001 |
| 23 |
31 |
|
[DMF]B:506 |
5 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
16947 |
122.4 |
3.6 |
0.474 |
1 |
0 |
0 |
0.000 |
| 24 |
32 |
|
[DMF]C:506 |
5 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
18 |
9 |
17073 |
117.6 |
2.7 |
0.412 |
0 |
0 |
0 |
0.000 |
| 25 |
33 |
|
[K]A:503 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
16877 |
114.9 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.074 |
34 |
|
[K]D:502 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
17240 |
113.6 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.074 |
35 |
|
[K]C:502 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
17073 |
112.9 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.074 |
36 |
|
[K]B:502 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
16947 |
112.6 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.074 |
| Average: |
113.5 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.074 |
| 26 |
37 |
|
[GOL]D:508 |
6 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
17240 |
114.5 |
-0.9 |
0.423 |
0 |
0 |
0 |
0.000 |
| 27 |
38 |
|
[DMF]D:505 |
5 |
1 |
215 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
17240 |
114.3 |
3.1 |
0.441 |
1 |
0 |
0 |
0.000 |
| 28 |
39 |
|
[GOL]A:512 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
16877 |
113.7 |
-1.6 |
0.397 |
0 |
0 |
0 |
0.001 |
| 29 |
40 |
|
[DMF]A:507 |
5 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
16877 |
113.5 |
3.2 |
0.478 |
0 |
0 |
0 |
0.000 |
| 30 |
41 |
|
[DMF]B:505 |
5 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
16947 |
101.6 |
2.6 |
0.400 |
1 |
0 |
0 |
0.000 |
| 31 |
42 |
|
[GOL]C:510 |
5 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
17073 |
97.2 |
-0.4 |
0.517 |
2 |
0 |
0 |
0.000 |
| 32 |
43 |
|
[DMF]A:508 |
5 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
16877 |
93.8 |
2.1 |
0.371 |
1 |
0 |
0 |
0.000 |
| 33 |
44 |
|
[DMF]A:509 |
5 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
16877 |
84.7 |
1.9 |
0.352 |
0 |
0 |
0 |
0.000 |
| 34 |
45 |
|
[DMF]A:508 |
5 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
16947 |
80.8 |
0.7 |
0.215 |
0 |
0 |
0 |
0.000 |
| 35 |
46 |
|
[DMF]A:509 |
5 |
1 |
217 |
f |
B |
x-1,y,z |
1_455 |
8 |
2 |
16947 |
72.2 |
1.9 |
0.323 |
1 |
0 |
0 |
0.000 |
| 36 |
47 |
|
C |
6 |
2 |
17073 |
◊ |
[GKW]D:504 |
x,y-1,z |
1_545 |
9 |
1 |
512 |
62.5 |
-0.7 |
0.757 |
0 |
0 |
0 |
0.000 |
48 |
|
[GKW]B:504 |
9 |
1 |
514 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
16877 |
50.3 |
0.1 |
0.844 |
0 |
0 |
0 |
0.000 |
49 |
|
[GKW]A:504 |
10 |
1 |
518 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
1 |
16947 |
43.0 |
0.2 |
0.830 |
0 |
0 |
0 |
0.000 |
| Average: |
51.9 |
-0.1 |
0.810 |
0 |
0 |
0 |
0.000 |
| 37 |
50 |
|
[DMF]C:506 |
4 |
1 |
216 |
f |
A |
x,y-1,z |
1_545 |
6 |
2 |
16877 |
45.9 |
0.6 |
0.194 |
0 |
0 |
0 |
0.000 |
| 38 |
51 |
|
D |
3 |
2 |
17240 |
f |
[DMF]B:506 |
x-1,y,z |
1_455 |
5 |
1 |
216 |
41.0 |
-0.1 |
0.132 |
0 |
0 |
0 |
0.000 |
| 39 |
52 |
|
C |
6 |
3 |
17073 |
◊ |
B |
x-1,y-1,z |
1_445 |
9 |
4 |
16947 |
40.5 |
0.3 |
0.722 |
0 |
0 |
0 |
0.000 |
| 40 |
53 |
|
[GOL]C:509 |
3 |
1 |
218 |
cf |
[DMF]C:508 |
x,y,z |
1_555 |
2 |
1 |
217 |
37.4 |
0.7 |
0.490 |
0 |
0 |
0 |
0.000 |
| 41 |
54 |
|
[ZN]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
7 |
17240 |
36.4 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.018 |
55 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
7 |
16947 |
36.2 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.018 |
56 |
|
[ZN]C:501 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
9 |
7 |
17073 |
35.9 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.018 |
57 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
16877 |
35.6 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.018 |
| Average: |
36.0 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.018 |
| 42 |
58 |
|
[GKW]C:504 |
8 |
1 |
515 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
17240 |
35.8 |
0.2 |
0.823 |
0 |
0 |
0 |
0.000 |
| 43 |
59 |
|
D |
3 |
1 |
17240 |
f |
[DMF]A:507 |
x,y,z-1 |
1_554 |
2 |
1 |
215 |
34.6 |
1.4 |
0.553 |
0 |
0 |
0 |
0.000 |
| 44 |
60 |
|
[DMF]A:505 |
2 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
16947 |
34.3 |
0.6 |
0.421 |
0 |
0 |
0 |
0.000 |
| 45 |
61 |
|
[GKW]A:504 |
4 |
1 |
518 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.9 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.010 |
62 |
|
[GKW]D:504 |
4 |
1 |
512 |
f |
[ZN]D:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.2 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.010 |
63 |
|
[GKW]B:504 |
5 |
1 |
514 |
f |
[ZN]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.1 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.010 |
64 |
|
[GKW]C:504 |
4 |
1 |
515 |
f |
[ZN]C:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.1 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
30.3 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.010 |
| 46 |
65 |
|
[DMF]C:507 |
2 |
1 |
215 |
f |
D |
x,y-1,z |
1_545 |
4 |
3 |
17240 |
27.5 |
1.0 |
0.492 |
0 |
0 |
0 |
0.000 |
| 47 |
66 |
|
[GOL]A:512 |
2 |
1 |
218 |
f |
[GOL]A:511 |
x,y,z |
1_555 |
2 |
1 |
218 |
24.6 |
-0.7 |
0.250 |
0 |
0 |
0 |
0.000 |
| 48 |
67 |
|
[DMF]D:505 |
1 |
1 |
215 |
f |
A |
x,y,z-1 |
1_554 |
1 |
1 |
16877 |
2.6 |
0.1 |
0.550 |
0 |
0 |
0 |
0.000 |
| 49 |
68 |
|
A |
1 |
1 |
16877 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
16947 |
2.1 |
-0.0 |
0.563 |
0 |
0 |
0 |
0.000 |
| 50 |
69 |
|
[GOL]A:512 |
1 |
1 |
218 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
16947 |
2.0 |
0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
|