| ## |
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 |
109 |
34 |
14496 |
◊ |
A |
x,y,z |
1_555 |
109 |
34 |
14556 |
904.1 |
-7.8 |
0.311 |
8 |
2 |
0 |
0.036 |
2 |
|
D |
107 |
35 |
14501 |
◊ |
C |
x,y,z |
1_555 |
109 |
35 |
14527 |
892.2 |
-8.1 |
0.287 |
8 |
2 |
0 |
0.036 |
| Average: |
898.2 |
-7.9 |
0.299 |
8 |
2 |
0 |
0.036 |
| 2 |
3 |
|
J |
33 |
4 |
1047 |
◊ |
B |
x,y,z |
1_555 |
65 |
27 |
14496 |
421.0 |
-2.9 |
0.501 |
6 |
3 |
0 |
0.035 |
| 3 |
4 |
|
L |
33 |
4 |
1052 |
◊ |
D |
x,y,z |
1_555 |
66 |
27 |
14501 |
417.1 |
-2.6 |
0.522 |
7 |
2 |
0 |
0.044 |
5 |
|
K |
32 |
4 |
1064 |
◊ |
C |
x,y,z |
1_555 |
57 |
24 |
14527 |
385.0 |
-4.3 |
0.402 |
5 |
2 |
0 |
0.044 |
6 |
|
I |
32 |
4 |
1060 |
◊ |
A |
x,y,z |
1_555 |
58 |
23 |
14556 |
381.0 |
-4.1 |
0.409 |
5 |
2 |
0 |
0.044 |
| Average: |
394.4 |
-3.7 |
0.444 |
6 |
2 |
0 |
0.044 |
| 4 |
7 |
|
C |
43 |
19 |
14527 |
◊ |
A |
x,y,z |
1_555 |
45 |
21 |
14556 |
387.6 |
-1.8 |
0.510 |
0 |
0 |
0 |
0.003 |
| 5 |
8 |
|
A |
40 |
10 |
14556 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
48 |
14 |
14496 |
380.0 |
-0.7 |
0.485 |
5 |
2 |
0 |
0.000 |
| 6 |
9 |
|
C |
37 |
13 |
14527 |
◊ |
B |
x,y,z |
1_555 |
29 |
11 |
14496 |
337.9 |
-1.7 |
0.238 |
5 |
1 |
0 |
0.014 |
10 |
|
D |
28 |
11 |
14501 |
◊ |
A |
x,y,z |
1_555 |
36 |
13 |
14556 |
336.0 |
-1.9 |
0.209 |
5 |
1 |
0 |
0.014 |
| Average: |
337.0 |
-1.8 |
0.224 |
5 |
1 |
0 |
0.014 |
| 7 |
11 |
|
D |
22 |
7 |
14501 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
25 |
11 |
14496 |
217.8 |
-2.0 |
0.370 |
0 |
1 |
0 |
0.000 |
| 8 |
12 |
|
C |
19 |
5 |
14527 |
x |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
23 |
4 |
14527 |
199.7 |
-1.1 |
0.396 |
3 |
0 |
0 |
0.000 |
| 9 |
13 |
|
K |
16 |
4 |
1064 |
◊ |
D |
x,y,z |
1_555 |
27 |
12 |
14501 |
182.2 |
-1.8 |
0.470 |
1 |
0 |
0 |
0.007 |
14 |
|
I |
16 |
4 |
1060 |
◊ |
B |
x,y,z |
1_555 |
25 |
11 |
14496 |
172.0 |
-1.9 |
0.449 |
2 |
0 |
0 |
0.007 |
| Average: |
177.1 |
-1.9 |
0.460 |
2 |
0 |
0 |
0.007 |
| 10 |
15 |
|
J |
14 |
3 |
1047 |
◊ |
A |
x,y,z |
1_555 |
28 |
11 |
14556 |
165.8 |
-1.9 |
0.450 |
1 |
0 |
0 |
0.007 |
16 |
|
L |
13 |
3 |
1052 |
◊ |
C |
x,y,z |
1_555 |
23 |
10 |
14527 |
156.5 |
-1.9 |
0.432 |
2 |
0 |
0 |
0.007 |
| Average: |
161.1 |
-1.9 |
0.441 |
2 |
0 |
0 |
0.007 |
| 11 |
17 |
|
B |
15 |
5 |
14496 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
15 |
6 |
14496 |
143.5 |
-0.1 |
0.606 |
1 |
4 |
0 |
0.000 |
| 12 |
18 |
|
D |
14 |
7 |
14501 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
27 |
9 |
14527 |
138.6 |
-1.4 |
0.369 |
0 |
0 |
0 |
0.002 |
| 13 |
19 |
|
D |
19 |
5 |
14501 |
◊ |
A |
x,y-1,z |
1_545 |
12 |
5 |
14556 |
132.1 |
-3.2 |
0.066 |
1 |
0 |
0 |
0.000 |
| 14 |
20 |
|
C |
14 |
6 |
14527 |
◊ |
B |
x,y-1,z |
1_545 |
19 |
5 |
14496 |
126.5 |
-0.7 |
0.535 |
1 |
0 |
0 |
0.000 |
| 15 |
21 |
|
I |
13 |
2 |
1060 |
◊ |
C |
x,y,z |
1_555 |
14 |
3 |
14527 |
115.5 |
-1.3 |
0.278 |
0 |
0 |
0 |
0.003 |
22 |
|
K |
14 |
2 |
1064 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
14556 |
113.5 |
-1.1 |
0.298 |
0 |
0 |
0 |
0.003 |
| Average: |
114.5 |
-1.2 |
0.288 |
0 |
0 |
0 |
0.003 |
| 16 |
23 |
|
[K]B:405 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
14496 |
112.9 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.707 |
24 |
|
[K]A:402 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
14556 |
111.9 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.707 |
25 |
|
[K]D:411 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
14501 |
111.9 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.707 |
26 |
|
[K]C:408 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
14527 |
111.6 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.707 |
| Average: |
112.0 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.707 |
| 17 |
27 |
|
[MCM]K:6 |
13 |
1 |
342 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
14527 |
111.3 |
1.8 |
0.031 |
2 |
0 |
0 |
0.000 |
28 |
|
[MCM]I:6 |
13 |
1 |
337 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
14556 |
110.2 |
1.8 |
0.032 |
2 |
0 |
0 |
0.000 |
29 |
|
[MCM]L:6 |
13 |
1 |
338 |
◊ |
D |
x,y,z |
1_555 |
17 |
6 |
14501 |
109.7 |
1.7 |
0.032 |
2 |
0 |
0 |
0.000 |
30 |
|
[MCM]J:6 |
13 |
1 |
335 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
14496 |
109.0 |
1.8 |
0.027 |
2 |
0 |
0 |
0.000 |
| Average: |
110.1 |
1.8 |
0.031 |
2 |
0 |
0 |
0.000 |
| 18 |
31 |
|
[MCM]I:6 |
12 |
1 |
337 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
14496 |
109.3 |
1.9 |
0.099 |
0 |
0 |
0 |
0.000 |
32 |
|
[MCM]K:6 |
12 |
1 |
342 |
◊ |
D |
x,y,z |
1_555 |
21 |
7 |
14501 |
109.1 |
2.0 |
0.096 |
0 |
0 |
0 |
0.000 |
33 |
|
[MCM]L:6 |
12 |
1 |
338 |
◊ |
C |
x,y,z |
1_555 |
21 |
7 |
14527 |
107.7 |
2.0 |
0.102 |
0 |
0 |
0 |
0.000 |
34 |
|
[MCM]J:6 |
12 |
1 |
335 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
14556 |
107.1 |
2.0 |
0.115 |
0 |
0 |
0 |
0.000 |
| Average: |
108.3 |
2.0 |
0.103 |
0 |
0 |
0 |
0.000 |
| 19 |
35 |
|
D |
12 |
6 |
14501 |
◊ |
B |
x,y-1,z |
1_545 |
17 |
8 |
14496 |
99.0 |
-0.7 |
0.444 |
1 |
0 |
0 |
0.000 |
| 20 |
36 |
|
[ACE]K:1 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
14556 |
68.3 |
-1.0 |
0.554 |
1 |
0 |
0 |
0.002 |
| 21 |
37 |
|
[ACE]I:1 |
3 |
1 |
171 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
14527 |
67.9 |
-1.0 |
0.536 |
1 |
0 |
0 |
0.002 |
| 22 |
38 |
|
C |
7 |
2 |
14527 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
7 |
2 |
14496 |
66.9 |
1.1 |
0.845 |
1 |
5 |
0 |
0.000 |
| 23 |
39 |
|
A |
10 |
4 |
14556 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
8 |
4 |
14527 |
66.5 |
-0.2 |
0.582 |
1 |
1 |
0 |
0.000 |
| 24 |
40 |
|
[ACE]L:1 |
3 |
1 |
171 |
cf |
L |
x,y,z |
1_555 |
5 |
2 |
1052 |
64.4 |
-0.2 |
0.785 |
2 |
0 |
0 |
0.141 |
| 25 |
41 |
|
[MCM]L:6 |
12 |
1 |
338 |
◊ |
[MCM]K:6 |
x,y,z |
1_555 |
12 |
1 |
342 |
59.2 |
3.4 |
0.001 |
0 |
0 |
0 |
0.000 |
42 |
|
[MCM]J:6 |
12 |
1 |
335 |
◊ |
[MCM]I:6 |
x,y,z |
1_555 |
12 |
1 |
337 |
56.2 |
3.2 |
0.001 |
0 |
0 |
0 |
0.000 |
| Average: |
57.7 |
3.3 |
0.001 |
0 |
0 |
0 |
0.000 |
| 26 |
43 |
|
[ACE]I:1 |
3 |
1 |
171 |
cf |
I |
x,y,z |
1_555 |
7 |
2 |
1060 |
58.0 |
-0.1 |
0.780 |
1 |
0 |
0 |
0.181 |
| 27 |
44 |
|
[ACE]J:1 |
3 |
1 |
172 |
cf |
J |
x,y,z |
1_555 |
8 |
3 |
1047 |
57.8 |
-0.5 |
0.724 |
0 |
0 |
0 |
0.288 |
| 28 |
45 |
|
[ACE]K:1 |
3 |
1 |
171 |
cf |
K |
x,y,z |
1_555 |
9 |
2 |
1064 |
54.8 |
-0.1 |
0.786 |
0 |
0 |
0 |
0.000 |
| 29 |
46 |
|
[ACE]J:1 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
14556 |
53.2 |
-1.0 |
0.612 |
0 |
0 |
0 |
0.001 |
| 30 |
47 |
|
C |
9 |
4 |
14527 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
9 |
4 |
14556 |
51.3 |
-0.1 |
0.593 |
0 |
0 |
0 |
0.000 |
| 31 |
48 |
|
[MCM]K:6 |
4 |
1 |
342 |
cf |
K |
x,y,z |
1_555 |
6 |
2 |
1064 |
44.9 |
0.3 |
0.157 |
0 |
0 |
0 |
0.000 |
49 |
|
[MCM]I:6 |
4 |
1 |
337 |
cf |
I |
x,y,z |
1_555 |
5 |
2 |
1060 |
44.0 |
0.3 |
0.151 |
0 |
0 |
0 |
0.000 |
| Average: |
44.5 |
0.3 |
0.154 |
0 |
0 |
0 |
0.000 |
| 32 |
50 |
|
[MCM]J:6 |
3 |
1 |
335 |
cf |
J |
x,y,z |
1_555 |
6 |
2 |
1047 |
44.5 |
0.3 |
0.318 |
0 |
0 |
0 |
0.000 |
51 |
|
[MCM]L:6 |
4 |
1 |
338 |
cf |
L |
x,y,z |
1_555 |
6 |
2 |
1052 |
44.1 |
0.3 |
0.186 |
0 |
0 |
0 |
0.000 |
| Average: |
44.3 |
0.3 |
0.252 |
0 |
0 |
0 |
0.000 |
| 33 |
52 |
|
[ZN]A:413 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
14556 |
38.1 |
-19.1 |
0.000 |
0 |
0 |
0 |
0.061 |
53 |
|
[ZN]C:412 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
14527 |
37.3 |
-18.5 |
0.000 |
0 |
0 |
0 |
0.061 |
| Average: |
37.7 |
-18.8 |
0.000 |
0 |
0 |
0 |
0.061 |
| 34 |
54 |
|
[ZN]C:412 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
14496 |
38.1 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.116 |
55 |
|
[ZN]A:413 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
14501 |
36.5 |
-18.8 |
0.000 |
0 |
0 |
0 |
0.116 |
| Average: |
37.3 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.116 |
| 35 |
56 |
|
[ZN]A:400 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
14556 |
37.9 |
-27.9 |
0.000 |
0 |
0 |
0 |
0.182 |
57 |
|
[ZN]C:406 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
8 |
6 |
14527 |
37.2 |
-27.6 |
0.000 |
0 |
0 |
0 |
0.182 |
58 |
|
[ZN]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
14496 |
37.0 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.182 |
59 |
|
[ZN]D:409 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
14501 |
36.6 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.182 |
| Average: |
37.2 |
-27.3 |
0.000 |
0 |
0 |
0 |
0.182 |
| 36 |
60 |
|
D |
5 |
3 |
14501 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
5 |
2 |
14496 |
34.0 |
0.4 |
0.748 |
0 |
0 |
0 |
0.000 |
| 37 |
61 |
|
[ACE]K:1 |
1 |
1 |
171 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
14501 |
33.4 |
-0.9 |
0.450 |
0 |
0 |
0 |
0.001 |
| 38 |
62 |
|
[ACE]I:1 |
1 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
14496 |
30.7 |
-0.8 |
0.463 |
0 |
0 |
0 |
0.001 |
| 39 |
63 |
|
[ACE]L:1 |
1 |
1 |
171 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
3 |
3 |
14527 |
28.5 |
0.0 |
0.772 |
0 |
0 |
0 |
0.000 |
| 40 |
64 |
|
[ZN]D:409 |
1 |
1 |
98 |
c |
L |
x,y,z |
1_555 |
4 |
1 |
1052 |
27.4 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.076 |
65 |
|
[ZN]B:403 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
4 |
1 |
1047 |
27.1 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.076 |
66 |
|
[ZN]C:406 |
1 |
1 |
98 |
c |
K |
x,y,z |
1_555 |
4 |
1 |
1064 |
26.8 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.076 |
67 |
|
[ZN]A:400 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
4 |
1 |
1060 |
26.5 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.076 |
| Average: |
26.9 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.076 |
| 41 |
68 |
|
[MCM]I:6 |
1 |
1 |
337 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
1047 |
9.8 |
0.2 |
0.526 |
0 |
0 |
0 |
0.000 |
| 42 |
69 |
|
[MCM]J:6 |
1 |
1 |
335 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
1060 |
9.0 |
0.2 |
0.534 |
0 |
0 |
0 |
0.000 |
70 |
|
[MCM]L:6 |
1 |
1 |
338 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
1064 |
8.9 |
0.2 |
0.525 |
0 |
0 |
0 |
0.000 |
71 |
|
[MCM]K:6 |
1 |
1 |
342 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
1052 |
7.8 |
0.2 |
0.479 |
0 |
0 |
0 |
0.000 |
| Average: |
8.6 |
0.2 |
0.513 |
0 |
0 |
0 |
0.000 |
| 43 |
72 |
|
[ACE]L:1 |
1 |
1 |
171 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
14527 |
8.6 |
-0.3 |
0.494 |
0 |
0 |
0 |
0.000 |
| 44 |
73 |
|
A |
2 |
2 |
14556 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
2 |
14496 |
8.1 |
0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
| 45 |
74 |
|
[ACE]L:1 |
1 |
1 |
171 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
14501 |
7.0 |
0.2 |
0.737 |
0 |
0 |
0 |
0.000 |
| 46 |
75 |
|
A |
1 |
1 |
14556 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
14496 |
0.3 |
0.0 |
0.676 |
0 |
0 |
0 |
0.000 |
|