| ## |
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 |
|
P |
72 |
8 |
1567 |
◊ |
A |
x,y,z |
1_555 |
116 |
33 |
8611 |
819.6 |
-4.9 |
0.404 |
9 |
0 |
0 |
0.093 |
2 |
|
Q |
76 |
8 |
1551 |
◊ |
B |
x,y,z |
1_555 |
121 |
32 |
8532 |
819.0 |
-5.9 |
0.365 |
8 |
0 |
0 |
0.093 |
| Average: |
819.3 |
-5.4 |
0.385 |
9 |
0 |
0 |
0.093 |
| 2 |
3 |
|
B |
73 |
22 |
8532 |
◊ |
A |
x,y,z |
1_555 |
69 |
20 |
8611 |
642.9 |
-4.1 |
0.615 |
8 |
0 |
0 |
0.035 |
| 3 |
4 |
|
A |
64 |
15 |
8611 |
x |
A |
-x-1,y-1/2,-z-1/2 |
4_444 |
71 |
19 |
8611 |
583.4 |
-5.8 |
0.453 |
5 |
0 |
0 |
0.000 |
| 4 |
5 |
|
B |
34 |
13 |
8532 |
x |
B |
x-1/2,-y-1/2,-z |
3_445 |
39 |
12 |
8532 |
297.0 |
0.0 |
0.752 |
2 |
2 |
0 |
0.000 |
| 5 |
6 |
|
B |
13 |
3 |
8532 |
◊ |
A |
x-1/2,-y-1/2,-z |
3_445 |
22 |
4 |
8611 |
152.3 |
-1.8 |
0.189 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[EDO]A:309 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
25 |
11 |
8611 |
117.1 |
3.3 |
0.710 |
3 |
0 |
0 |
0.000 |
| 7 |
8 |
|
A |
13 |
4 |
8611 |
◊ |
P |
x-1,y,z |
1_455 |
19 |
3 |
1567 |
116.8 |
0.0 |
0.419 |
0 |
0 |
0 |
0.000 |
9 |
|
Q |
18 |
2 |
1551 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
4 |
8532 |
104.4 |
-0.2 |
0.403 |
0 |
0 |
0 |
0.000 |
| Average: |
110.6 |
-0.1 |
0.411 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[SR]A:304 |
1 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
14 |
10 |
8611 |
116.4 |
-37.4 |
0.000 |
0 |
0 |
0 |
0.391 |
11 |
|
[SR]B:304 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
14 |
10 |
8532 |
113.7 |
-38.6 |
0.000 |
0 |
0 |
0 |
0.391 |
| Average: |
115.0 |
-38.0 |
0.000 |
0 |
0 |
0 |
0.391 |
| 9 |
12 |
|
[GOL]A:307 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
8611 |
113.7 |
-1.4 |
0.428 |
1 |
0 |
0 |
0.019 |
| 10 |
13 |
|
[PGO]A:312 |
5 |
1 |
210 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
8611 |
97.8 |
2.3 |
0.235 |
4 |
0 |
0 |
0.000 |
| 11 |
14 |
|
A |
10 |
6 |
8611 |
x |
A |
x-1,y,z |
1_455 |
9 |
5 |
8611 |
96.5 |
-1.5 |
0.291 |
0 |
0 |
0 |
0.000 |
15 |
|
B |
7 |
4 |
8532 |
x |
B |
x-1,y,z |
1_455 |
8 |
5 |
8532 |
74.8 |
-1.7 |
0.146 |
0 |
0 |
0 |
0.000 |
| Average: |
85.7 |
-1.6 |
0.219 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[EDO]A:310 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
8611 |
94.1 |
3.3 |
0.553 |
3 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[EDO]B:308 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
8532 |
90.7 |
2.2 |
0.425 |
0 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[SR]B:305 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
8532 |
89.5 |
-26.8 |
0.000 |
0 |
0 |
0 |
0.188 |
| 15 |
19 |
|
B |
11 |
4 |
8532 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
4_444 |
9 |
5 |
8611 |
88.8 |
-1.0 |
0.361 |
0 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[NA]B:310 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
23 |
11 |
8532 |
88.7 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.076 |
| 17 |
21 |
|
[PGO]B:306 |
4 |
1 |
211 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
8532 |
87.2 |
2.6 |
0.483 |
4 |
0 |
0 |
0.000 |
| 18 |
22 |
|
B |
10 |
2 |
8532 |
◊ |
A |
x,y-1,z |
1_545 |
13 |
4 |
8611 |
83.3 |
-0.8 |
0.520 |
0 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[EDO]A:311 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
8611 |
78.7 |
1.9 |
0.254 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[EDO]A:308 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
8611 |
76.1 |
1.7 |
0.229 |
1 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[EDO]B:307 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
8532 |
73.2 |
1.7 |
0.248 |
1 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[EDO]A:306 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
8611 |
71.7 |
2.5 |
0.324 |
1 |
0 |
0 |
0.000 |
| 23 |
27 |
|
[EDO]A:308 |
4 |
1 |
185 |
◊ |
P |
x,y,z |
1_555 |
10 |
4 |
1567 |
70.6 |
2.5 |
0.241 |
0 |
0 |
0 |
0.000 |
| 24 |
28 |
|
[EDO]B:307 |
4 |
1 |
184 |
◊ |
Q |
x,y,z |
1_555 |
10 |
5 |
1551 |
69.6 |
2.3 |
0.242 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
B |
8 |
3 |
8532 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
3 |
8611 |
69.2 |
-0.5 |
0.574 |
0 |
0 |
0 |
0.000 |
| 26 |
30 |
|
[AZI]Q:600 |
3 |
1 |
159 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
8532 |
63.4 |
-0.0 |
0.487 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
[NA]B:311 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
8532 |
63.1 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.063 |
| 28 |
32 |
|
[AZI]P:600 |
3 |
1 |
159 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
8611 |
62.3 |
-0.1 |
0.413 |
0 |
0 |
0 |
0.001 |
| 29 |
33 |
|
A |
11 |
4 |
8611 |
◊ |
P |
-x-1,y-1/2,-z-1/2 |
4_444 |
5 |
1 |
1567 |
58.5 |
0.1 |
0.598 |
0 |
0 |
0 |
0.000 |
| 30 |
34 |
|
[PGO]A:312 |
4 |
1 |
210 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
4_444 |
8 |
4 |
8611 |
55.3 |
1.3 |
0.695 |
0 |
0 |
0 |
0.000 |
| 31 |
35 |
|
[NH2]P:9 |
1 |
1 |
117 |
cf |
P |
x,y,z |
1_555 |
6 |
2 |
1567 |
54.6 |
0.4 |
0.586 |
0 |
0 |
0 |
0.000 |
36 |
|
[NH2]Q:9 |
1 |
1 |
117 |
cf |
Q |
x,y,z |
1_555 |
5 |
2 |
1551 |
49.8 |
0.2 |
0.571 |
0 |
0 |
0 |
0.000 |
| Average: |
52.2 |
0.3 |
0.578 |
0 |
0 |
0 |
0.000 |
| 32 |
37 |
|
[PGO]B:306 |
4 |
1 |
211 |
f |
[SR]B:305 |
x,y,z |
1_555 |
1 |
1 |
206 |
51.3 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.066 |
| 33 |
38 |
|
[NA]B:309 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
5 |
8611 |
51.2 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.063 |
39 |
|
[NA]B:309 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
5 |
8532 |
51.0 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.063 |
| Average: |
51.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.063 |
| 34 |
40 |
|
[EDO]B:308 |
2 |
1 |
184 |
◊ |
B |
x-1/2,-y-1/2,-z |
3_445 |
11 |
3 |
8532 |
51.0 |
0.6 |
0.455 |
1 |
0 |
0 |
0.000 |
| 35 |
41 |
|
[AZI]Q:600 |
3 |
1 |
159 |
◊ |
Q |
x,y,z |
1_555 |
12 |
3 |
1551 |
48.1 |
0.0 |
0.257 |
0 |
0 |
0 |
0.000 |
| 36 |
42 |
|
[AZI]P:600 |
3 |
1 |
159 |
◊ |
P |
x,y,z |
1_555 |
12 |
3 |
1567 |
47.9 |
0.3 |
0.417 |
0 |
0 |
0 |
0.000 |
| 37 |
43 |
|
[EDO]A:311 |
3 |
1 |
186 |
◊ |
[EDO]A:310 |
x,y,z |
1_555 |
4 |
1 |
185 |
43.2 |
1.8 |
1.000 |
0 |
0 |
0 |
0.000 |
| 38 |
44 |
|
[PGO]B:306 |
5 |
1 |
211 |
◊ |
A |
x,y-1,z |
1_545 |
7 |
1 |
8611 |
41.7 |
0.8 |
0.719 |
0 |
0 |
0 |
0.000 |
| 39 |
45 |
|
[CA]A:305 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
8611 |
36.9 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.088 |
| 40 |
46 |
|
B |
3 |
2 |
8532 |
f |
[EDO]A:306 |
x-1/2,-y-1/2,-z |
3_445 |
3 |
1 |
185 |
34.7 |
0.4 |
0.583 |
1 |
0 |
0 |
0.000 |
| 41 |
47 |
|
[GOL]A:307 |
4 |
1 |
219 |
◊ |
P |
x,y,z |
1_555 |
4 |
2 |
1567 |
34.5 |
-0.3 |
0.447 |
0 |
0 |
0 |
0.003 |
| 42 |
48 |
|
[NH2]Q:9 |
1 |
1 |
117 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
4 |
8532 |
32.6 |
0.3 |
0.801 |
0 |
0 |
0 |
0.000 |
| 43 |
49 |
|
[ZN]B:301 |
1 |
1 |
98 |
◊ |
Q |
x,y,z |
1_555 |
10 |
3 |
1551 |
29.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.128 |
50 |
|
[ZN]A:301 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
10 |
3 |
1567 |
29.3 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.128 |
| Average: |
29.4 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.128 |
| 44 |
51 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
8532 |
28.5 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.197 |
52 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
8611 |
28.1 |
-18.9 |
0.000 |
0 |
0 |
0 |
0.197 |
| Average: |
28.3 |
-19.2 |
0.000 |
0 |
0 |
0 |
0.197 |
| 45 |
53 |
|
[EDO]A:309 |
3 |
1 |
183 |
f |
P |
x,y,z |
1_555 |
1 |
1 |
1567 |
25.8 |
1.1 |
0.961 |
1 |
0 |
0 |
0.000 |
| 46 |
54 |
|
[PGO]A:312 |
3 |
1 |
210 |
f |
[CA]A:305 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.039 |
| 47 |
55 |
|
[EDO]B:308 |
2 |
1 |
184 |
f |
Q |
x,y,z |
1_555 |
2 |
1 |
1551 |
21.7 |
0.0 |
0.538 |
0 |
0 |
0 |
0.000 |
| 48 |
56 |
|
B |
2 |
1 |
8532 |
◊ |
[NA]B:311 |
x-1/2,-y-1/2,-z |
3_445 |
1 |
1 |
125 |
21.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 49 |
57 |
|
[SR]B:305 |
1 |
1 |
206 |
◊ |
A |
x,y-1,z |
1_545 |
7 |
2 |
8611 |
21.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 50 |
58 |
|
[AZI]P:600 |
2 |
1 |
159 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.2 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.084 |
| 51 |
59 |
|
[AZI]Q:600 |
2 |
1 |
159 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.056 |
| 52 |
60 |
|
[NH2]P:9 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
8611 |
18.2 |
0.3 |
0.826 |
0 |
0 |
0 |
0.000 |
61 |
|
[NH2]Q:9 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8532 |
9.6 |
-0.0 |
0.474 |
0 |
0 |
0 |
0.000 |
| Average: |
13.9 |
0.1 |
0.650 |
0 |
0 |
0 |
0.000 |
| 53 |
62 |
|
B |
2 |
1 |
8532 |
x |
B |
x-1/2,-y-3/2,-z |
3_435 |
3 |
1 |
8532 |
16.8 |
-0.0 |
0.471 |
0 |
0 |
0 |
0.000 |
| 54 |
63 |
|
A |
2 |
2 |
8611 |
◊ |
[SR]A:304 |
-x-1,y-1/2,-z-1/2 |
4_444 |
1 |
1 |
206 |
16.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 55 |
64 |
|
[NA]B:310 |
1 |
1 |
125 |
◊ |
Q |
x,y,z |
1_555 |
1 |
1 |
1551 |
13.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.008 |
| 56 |
65 |
|
[PGO]B:306 |
3 |
1 |
211 |
f |
[EDO]A:310 |
x,y-1,z |
1_545 |
2 |
1 |
185 |
12.9 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
| 57 |
66 |
|
A |
1 |
1 |
8611 |
◊ |
[NH2]P:9 |
x-1,y,z |
1_455 |
1 |
1 |
117 |
11.1 |
-0.0 |
0.469 |
0 |
0 |
0 |
0.000 |
| 58 |
67 |
|
A |
2 |
2 |
8611 |
x |
A |
-x,y-1/2,-z-1/2 |
4_544 |
2 |
1 |
8611 |
5.9 |
-0.1 |
0.546 |
0 |
0 |
0 |
0.000 |
| 59 |
68 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
P |
x,y,z |
1_555 |
1 |
1 |
1567 |
3.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.251 |
69 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
Q |
x,y,z |
1_555 |
1 |
1 |
1551 |
3.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.251 |
| Average: |
3.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.251 |
| 60 |
70 |
|
[EDO]B:307 |
1 |
1 |
184 |
f |
B |
x-1,y,z |
1_455 |
2 |
1 |
8532 |
3.8 |
-0.0 |
0.719 |
0 |
0 |
0 |
0.000 |
| 61 |
71 |
|
A |
1 |
1 |
8611 |
f |
[EDO]A:308 |
x-1,y,z |
1_455 |
1 |
1 |
185 |
2.2 |
-0.0 |
0.686 |
0 |
0 |
0 |
0.000 |
| 62 |
72 |
|
[EDO]A:311 |
2 |
1 |
186 |
f |
[SR]A:304 |
x,y,z |
1_555 |
1 |
1 |
206 |
1.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
|