## |
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 |
|
B |
302 |
84 |
13270 |
◊ |
A |
x,y,z |
1_555 |
295 |
82 |
13674 |
2702.7 |
-42.5 |
0.005 |
46 |
6 |
0 |
0.071 |
2 |
|
D |
297 |
82 |
13350 |
◊ |
C |
x,y,z |
1_555 |
300 |
82 |
13461 |
2699.3 |
-40.7 |
0.008 |
55 |
7 |
0 |
0.071 |
Average: |
2701.0 |
-41.6 |
0.007 |
51 |
7 |
0 |
0.071 |
2 |
3 |
|
D |
89 |
26 |
13350 |
◊ |
A |
x,y,z |
1_555 |
89 |
27 |
13674 |
763.5 |
-7.8 |
0.337 |
9 |
4 |
0 |
0.015 |
4 |
|
C |
87 |
26 |
13461 |
◊ |
B |
x,y,z |
1_555 |
82 |
27 |
13270 |
726.5 |
-7.6 |
0.318 |
7 |
1 |
0 |
0.015 |
Average: |
745.0 |
-7.7 |
0.328 |
8 |
3 |
0 |
0.015 |
3 |
5 |
|
[MFN]A:902 |
39 |
1 |
950 |
f |
A |
x,y,z |
1_555 |
47 |
19 |
13674 |
410.4 |
-0.9 |
0.143 |
1 |
0 |
0 |
0.002 |
4 |
6 |
|
C |
47 |
17 |
13461 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
42 |
9 |
13350 |
382.9 |
-4.2 |
0.326 |
1 |
0 |
0 |
0.003 |
5 |
7 |
|
[H4Z]A:905 |
25 |
1 |
582 |
f |
A |
x,y,z |
1_555 |
52 |
24 |
13674 |
356.3 |
-6.9 |
0.457 |
3 |
0 |
0 |
0.009 |
6 |
8 |
|
[MFN]A:900 |
30 |
1 |
932 |
f |
B |
x,y,z |
1_555 |
43 |
18 |
13270 |
349.8 |
-1.9 |
0.299 |
1 |
0 |
0 |
0.005 |
9 |
|
[MFN]D:903 |
27 |
1 |
760 |
f |
C |
x,y,z |
1_555 |
42 |
17 |
13461 |
307.8 |
-1.2 |
0.310 |
2 |
0 |
0 |
0.005 |
Average: |
328.8 |
-1.6 |
0.304 |
2 |
0 |
0 |
0.005 |
7 |
10 |
|
[MFN]A:900 |
32 |
1 |
932 |
◊ |
A |
x,y,z |
1_555 |
40 |
10 |
13674 |
324.3 |
0.1 |
0.386 |
3 |
0 |
0 |
0.002 |
11 |
|
[MFN]D:903 |
28 |
1 |
760 |
◊ |
D |
x,y,z |
1_555 |
38 |
11 |
13350 |
293.6 |
-0.8 |
0.403 |
2 |
0 |
0 |
0.002 |
Average: |
308.9 |
-0.3 |
0.395 |
3 |
0 |
0 |
0.002 |
8 |
12 |
|
D |
36 |
10 |
13350 |
◊ |
B |
x,y,z |
1_555 |
35 |
11 |
13270 |
313.3 |
-1.0 |
0.681 |
4 |
0 |
0 |
0.003 |
13 |
|
C |
36 |
10 |
13461 |
◊ |
A |
x,y,z |
1_555 |
35 |
11 |
13674 |
288.7 |
-0.8 |
0.640 |
4 |
0 |
0 |
0.003 |
Average: |
301.0 |
-0.9 |
0.661 |
4 |
0 |
0 |
0.003 |
9 |
14 |
|
[MFN]C:901 |
27 |
1 |
730 |
◊ |
D |
x,y,z |
1_555 |
36 |
17 |
13350 |
294.6 |
-1.1 |
0.271 |
3 |
0 |
0 |
0.002 |
10 |
15 |
|
[PE4]D:920 |
18 |
1 |
627 |
f |
D |
x,y,z |
1_555 |
40 |
13 |
13350 |
285.6 |
3.0 |
0.430 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
C |
31 |
12 |
13461 |
◊ |
D |
x,y-1,z |
1_545 |
29 |
12 |
13350 |
281.5 |
0.2 |
0.764 |
6 |
4 |
0 |
0.002 |
12 |
17 |
|
A |
37 |
13 |
13674 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
29 |
9 |
13350 |
267.4 |
3.5 |
0.942 |
2 |
4 |
0 |
0.000 |
18 |
|
C |
31 |
8 |
13461 |
◊ |
B |
-x,y-1/2,-z+2 |
2_547 |
35 |
10 |
13270 |
259.2 |
2.5 |
0.913 |
1 |
5 |
0 |
0.000 |
Average: |
263.3 |
3.0 |
0.928 |
2 |
5 |
0 |
0.000 |
13 |
19 |
|
[MFN]C:901 |
27 |
1 |
730 |
◊ |
C |
x,y,z |
1_555 |
38 |
11 |
13461 |
265.4 |
-1.9 |
0.351 |
1 |
0 |
0 |
0.000 |
14 |
20 |
|
[H4Z]C:904 |
17 |
1 |
406 |
f |
C |
x,y,z |
1_555 |
37 |
18 |
13461 |
247.8 |
-2.5 |
0.553 |
2 |
0 |
0 |
0.004 |
15 |
21 |
|
C |
22 |
9 |
13461 |
x |
C |
-x+1,y-1/2,-z+2 |
2_647 |
26 |
9 |
13461 |
241.6 |
1.2 |
0.816 |
7 |
5 |
0 |
0.000 |
16 |
22 |
|
A |
29 |
9 |
13674 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
25 |
9 |
13674 |
223.4 |
-0.3 |
0.635 |
1 |
2 |
0 |
0.000 |
23 |
|
B |
17 |
5 |
13270 |
x |
B |
-x,y-1/2,-z+2 |
2_547 |
18 |
6 |
13270 |
134.4 |
0.0 |
0.718 |
0 |
4 |
0 |
0.000 |
Average: |
178.9 |
-0.1 |
0.676 |
1 |
3 |
0 |
0.000 |
17 |
24 |
|
[MFN]A:902 |
22 |
1 |
950 |
◊ |
B |
x,y,z |
1_555 |
28 |
9 |
13270 |
219.4 |
1.3 |
0.416 |
1 |
0 |
0 |
0.000 |
18 |
25 |
|
[PE4]D:921 |
18 |
1 |
448 |
f |
D |
x,y,z |
1_555 |
42 |
16 |
13350 |
217.2 |
2.1 |
0.648 |
1 |
0 |
0 |
0.000 |
19 |
26 |
|
[PE4]D:920 |
12 |
1 |
627 |
◊ |
C |
x,y,z |
1_555 |
19 |
5 |
13461 |
144.6 |
-0.9 |
0.128 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
[PE4]A:922 |
13 |
1 |
419 |
◊ |
A |
x,y,z |
1_555 |
21 |
5 |
13674 |
125.1 |
2.2 |
0.278 |
0 |
0 |
0 |
0.000 |
21 |
28 |
|
[PE3]C:3792 |
8 |
1 |
322 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
13270 |
123.5 |
2.9 |
0.133 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
[PE4]A:922 |
11 |
1 |
419 |
◊ |
C |
x,y,z |
1_555 |
22 |
6 |
13461 |
120.9 |
3.7 |
0.583 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
[K]B:504 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
13 |
9 |
13270 |
117.0 |
-86.9 |
0.000 |
0 |
0 |
0 |
0.215 |
31 |
|
[K]D:502 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
17 |
10 |
13350 |
114.1 |
-86.2 |
0.000 |
0 |
0 |
0 |
0.215 |
32 |
|
[K]A:312 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
13674 |
112.3 |
-84.3 |
0.000 |
0 |
0 |
0 |
0.215 |
33 |
|
[K]C:506 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
18 |
10 |
13461 |
111.4 |
-86.2 |
0.000 |
0 |
0 |
0 |
0.215 |
Average: |
113.7 |
-85.9 |
0.000 |
0 |
0 |
0 |
0.215 |
24 |
34 |
|
[K]A:315 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
13674 |
117.0 |
-105.4 |
0.000 |
0 |
0 |
0 |
0.260 |
35 |
|
[K]B:319 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
13 |
9 |
13270 |
115.8 |
-105.7 |
0.000 |
0 |
0 |
0 |
0.260 |
36 |
|
[K]C:303 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
10 |
8 |
13461 |
114.6 |
-106.7 |
0.000 |
0 |
0 |
0 |
0.260 |
37 |
|
[K]D:500 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
13350 |
105.7 |
-98.4 |
0.000 |
0 |
0 |
0 |
0.260 |
Average: |
113.3 |
-104.0 |
0.000 |
0 |
0 |
0 |
0.260 |
25 |
38 |
|
[K]B:317 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
13270 |
109.2 |
-86.9 |
0.000 |
0 |
0 |
0 |
0.204 |
39 |
|
[K]C:309 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
19 |
11 |
13461 |
108.7 |
-85.9 |
0.000 |
0 |
0 |
0 |
0.204 |
40 |
|
[K]A:316 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
11 |
13674 |
108.6 |
-86.4 |
0.000 |
0 |
0 |
0 |
0.204 |
41 |
|
[K]D:503 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
18 |
11 |
13350 |
84.0 |
-67.2 |
0.000 |
0 |
0 |
0 |
0.204 |
Average: |
102.6 |
-81.6 |
0.000 |
0 |
0 |
0 |
0.204 |
26 |
42 |
|
[K]C:306 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
18 |
10 |
13461 |
108.6 |
-89.2 |
0.000 |
0 |
0 |
0 |
0.223 |
43 |
|
[K]B:322 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
13270 |
107.9 |
-89.5 |
0.000 |
0 |
0 |
0 |
0.223 |
44 |
|
[K]A:313 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
13674 |
107.3 |
-88.9 |
0.000 |
0 |
0 |
0 |
0.223 |
45 |
|
[K]D:501 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
17 |
10 |
13350 |
107.2 |
-89.1 |
0.000 |
0 |
0 |
0 |
0.223 |
Average: |
107.7 |
-89.2 |
0.000 |
0 |
0 |
0 |
0.223 |
27 |
46 |
|
C |
13 |
4 |
13461 |
f |
[MFN]C:901 |
-x+1,y-1/2,-z+2 |
2_647 |
10 |
1 |
730 |
100.5 |
-2.9 |
0.182 |
0 |
0 |
0 |
0.003 |
28 |
47 |
|
[PE4]D:921 |
8 |
1 |
448 |
f |
[PE4]D:920 |
x,y,z |
1_555 |
11 |
1 |
627 |
81.3 |
1.8 |
0.274 |
0 |
0 |
0 |
0.000 |
29 |
48 |
|
[PE4]D:921 |
10 |
1 |
448 |
◊ |
C |
x,y,z |
1_555 |
13 |
3 |
13461 |
80.5 |
-1.5 |
0.184 |
1 |
0 |
0 |
0.002 |
30 |
49 |
|
[K]B:505 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
13461 |
76.3 |
-44.2 |
0.000 |
0 |
0 |
0 |
0.052 |
31 |
50 |
|
[PE4]A:922 |
7 |
1 |
419 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
13350 |
76.1 |
0.1 |
0.184 |
0 |
0 |
0 |
0.000 |
32 |
51 |
|
[PE3]C:3792 |
6 |
1 |
322 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
13461 |
72.0 |
2.3 |
0.096 |
1 |
0 |
0 |
0.000 |
33 |
52 |
|
[K]B:505 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
13270 |
70.0 |
-42.3 |
0.000 |
0 |
0 |
0 |
0.050 |
34 |
53 |
|
[H4Z]C:904 |
6 |
1 |
406 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
9 |
2 |
13350 |
67.5 |
-1.2 |
0.457 |
0 |
0 |
0 |
0.000 |
35 |
54 |
|
[PE4]A:922 |
8 |
1 |
419 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
13270 |
63.0 |
1.3 |
0.322 |
0 |
0 |
0 |
0.000 |
36 |
55 |
|
[H4Z]A:905 |
11 |
1 |
582 |
f |
[MFN]A:902 |
x,y,z |
1_555 |
4 |
1 |
950 |
57.7 |
-0.5 |
0.308 |
0 |
0 |
0 |
0.000 |
37 |
56 |
|
[H4Z]C:904 |
12 |
1 |
406 |
f |
[MFN]D:903 |
x,y,z |
1_555 |
5 |
1 |
760 |
53.8 |
-1.4 |
0.413 |
0 |
0 |
0 |
0.002 |
38 |
57 |
|
[PE4]D:920 |
7 |
1 |
627 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
13674 |
51.7 |
0.5 |
0.352 |
0 |
0 |
0 |
0.000 |
39 |
58 |
|
[K]C:309 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
13350 |
44.9 |
-22.1 |
0.000 |
0 |
0 |
0 |
0.048 |
59 |
|
[K]A:316 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13270 |
43.7 |
-21.5 |
0.000 |
0 |
0 |
0 |
0.048 |
60 |
|
[K]B:317 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13674 |
42.6 |
-21.0 |
0.000 |
0 |
0 |
0 |
0.048 |
61 |
|
[K]D:503 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
13461 |
35.0 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.048 |
Average: |
41.5 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.048 |
40 |
62 |
|
[PE4]D:921 |
7 |
1 |
448 |
f |
[K]D:503 |
x,y,z |
1_555 |
1 |
1 |
216 |
42.6 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.026 |
41 |
63 |
|
[K]A:313 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
13270 |
35.7 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.044 |
64 |
|
[K]D:501 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
13461 |
35.6 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.044 |
65 |
|
[K]C:306 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
13350 |
35.3 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.044 |
66 |
|
[K]B:322 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
13674 |
35.0 |
-19.1 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
35.4 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.044 |
42 |
67 |
|
[PE3]C:3792 |
3 |
1 |
322 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
13350 |
17.4 |
0.9 |
0.204 |
0 |
0 |
0 |
0.000 |
43 |
68 |
|
[K]B:505 |
1 |
1 |
216 |
◊ |
B |
-x,y-1/2,-z+2 |
2_547 |
3 |
2 |
13270 |
13.6 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
69 |
|
[PE4]D:921 |
2 |
1 |
448 |
f |
[K]D:500 |
x,y,z |
1_555 |
1 |
1 |
216 |
11.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.006 |
45 |
70 |
|
[PE4]D:920 |
1 |
1 |
627 |
f |
[K]D:500 |
x,y,z |
1_555 |
1 |
1 |
216 |
7.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.004 |
|