| ## |
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 |
230 |
58 |
16283 |
◊ |
A |
x,y,z |
1_555 |
228 |
59 |
16385 |
2202.9 |
-14.1 |
0.258 |
31 |
10 |
0 |
0.215 |
2 |
|
D |
224 |
59 |
16299 |
◊ |
B |
x,y,z |
1_555 |
226 |
59 |
16352 |
2181.2 |
-15.4 |
0.178 |
33 |
10 |
0 |
0.215 |
| Average: |
2192.0 |
-14.8 |
0.218 |
32 |
10 |
0 |
0.215 |
| 2 |
3 |
|
B |
110 |
37 |
16352 |
◊ |
A |
x,y,z |
1_555 |
108 |
37 |
16385 |
1069.3 |
-9.0 |
0.188 |
4 |
2 |
0 |
0.073 |
4 |
|
D |
109 |
36 |
16299 |
◊ |
C |
x,y,z |
1_555 |
105 |
36 |
16283 |
1050.3 |
-9.6 |
0.183 |
4 |
2 |
0 |
0.073 |
| Average: |
1059.8 |
-9.3 |
0.186 |
4 |
2 |
0 |
0.073 |
| 3 |
5 |
|
[NAP]C:1368 |
45 |
1 |
931 |
f |
C |
x,y,z |
1_555 |
82 |
32 |
16283 |
609.1 |
-0.6 |
0.652 |
12 |
0 |
0 |
0.114 |
6 |
|
[NAP]B:1368 |
45 |
1 |
930 |
f |
B |
x,y,z |
1_555 |
83 |
32 |
16352 |
605.7 |
-1.6 |
0.565 |
14 |
0 |
0 |
0.114 |
7 |
|
[NAP]D:1368 |
44 |
1 |
929 |
f |
D |
x,y,z |
1_555 |
83 |
33 |
16299 |
603.7 |
-2.8 |
0.497 |
14 |
0 |
0 |
0.114 |
8 |
|
[NAP]A:1367 |
46 |
1 |
932 |
f |
A |
x,y,z |
1_555 |
86 |
32 |
16385 |
599.9 |
-1.3 |
0.604 |
12 |
0 |
0 |
0.114 |
| Average: |
604.6 |
-1.6 |
0.579 |
13 |
0 |
0 |
0.114 |
| 4 |
9 |
|
D |
45 |
12 |
16299 |
◊ |
C |
x-1,y,z |
1_455 |
44 |
14 |
16283 |
341.2 |
0.2 |
0.688 |
3 |
0 |
0 |
0.000 |
10 |
|
A |
41 |
12 |
16385 |
◊ |
B |
x-1,y,z |
1_455 |
43 |
12 |
16352 |
322.7 |
-0.6 |
0.597 |
4 |
1 |
0 |
0.000 |
| Average: |
332.0 |
-0.2 |
0.642 |
4 |
1 |
0 |
0.000 |
| 5 |
11 |
|
C |
27 |
10 |
16283 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
23 |
9 |
16385 |
236.6 |
1.6 |
0.797 |
4 |
2 |
0 |
0.000 |
12 |
|
C |
20 |
8 |
16283 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
25 |
9 |
16385 |
228.5 |
1.6 |
0.777 |
4 |
2 |
0 |
0.000 |
13 |
|
D |
25 |
10 |
16299 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
22 |
7 |
16352 |
211.9 |
1.8 |
0.799 |
5 |
1 |
0 |
0.000 |
| Average: |
225.7 |
1.7 |
0.791 |
4 |
2 |
0 |
0.000 |
| 6 |
14 |
|
D |
20 |
8 |
16299 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
9 |
16352 |
202.9 |
1.7 |
0.794 |
5 |
1 |
0 |
0.000 |
| 7 |
15 |
|
[XYP]B:1369 |
10 |
1 |
270 |
f |
B |
x,y,z |
1_555 |
28 |
13 |
16352 |
165.4 |
-5.2 |
0.447 |
8 |
0 |
0 |
0.060 |
| 8 |
16 |
|
[XYP]C:1369 |
10 |
1 |
272 |
f |
C |
x,y,z |
1_555 |
26 |
14 |
16283 |
158.0 |
-5.1 |
0.473 |
8 |
0 |
0 |
0.111 |
17 |
|
[XYP]D:1370 |
10 |
1 |
271 |
f |
D |
x,y,z |
1_555 |
26 |
14 |
16299 |
112.2 |
-3.5 |
0.431 |
8 |
0 |
0 |
0.111 |
18 |
|
[XYP]A:1369 |
10 |
1 |
269 |
f |
A |
x,y,z |
1_555 |
25 |
14 |
16385 |
108.4 |
-3.4 |
0.436 |
8 |
0 |
0 |
0.111 |
| Average: |
126.2 |
-4.0 |
0.447 |
8 |
0 |
0 |
0.111 |
| 9 |
19 |
|
[XYS]C:1370 |
9 |
1 |
269 |
◊ |
C |
x,y,z |
1_555 |
20 |
6 |
16283 |
135.4 |
1.4 |
0.373 |
0 |
0 |
0 |
0.000 |
20 |
|
[XYS]B:1370 |
9 |
1 |
268 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
16352 |
133.2 |
1.4 |
0.377 |
0 |
0 |
0 |
0.000 |
21 |
|
[XYS]A:1370 |
9 |
1 |
268 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
16385 |
132.5 |
1.3 |
0.368 |
0 |
0 |
0 |
0.000 |
22 |
|
[XYS]D:1371 |
9 |
1 |
267 |
◊ |
D |
x,y,z |
1_555 |
18 |
6 |
16299 |
132.1 |
1.2 |
0.360 |
0 |
0 |
0 |
0.000 |
| Average: |
133.3 |
1.3 |
0.369 |
0 |
0 |
0 |
0.000 |
| 10 |
23 |
|
C |
16 |
5 |
16283 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
16352 |
132.0 |
-1.6 |
0.224 |
2 |
0 |
0 |
0.017 |
24 |
|
D |
13 |
5 |
16299 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
16385 |
116.8 |
-2.9 |
0.088 |
0 |
0 |
0 |
0.017 |
| Average: |
124.4 |
-2.3 |
0.156 |
1 |
0 |
0 |
0.017 |
| 11 |
25 |
|
[XYP]D:1370 |
10 |
1 |
271 |
f |
[XYS]D:1369 |
x,y,z |
1_555 |
10 |
1 |
267 |
113.4 |
-0.6 |
0.561 |
0 |
0 |
0 |
0.004 |
26 |
|
[XYP]A:1369 |
10 |
1 |
269 |
f |
[XYS]A:1368 |
x,y,z |
1_555 |
10 |
1 |
264 |
112.2 |
-0.5 |
0.560 |
0 |
0 |
0 |
0.004 |
| Average: |
112.8 |
-0.6 |
0.560 |
0 |
0 |
0 |
0.004 |
| 12 |
27 |
|
[XYS]D:1369 |
10 |
1 |
267 |
f |
D |
x,y,z |
1_555 |
26 |
14 |
16299 |
107.3 |
0.1 |
0.373 |
6 |
0 |
0 |
0.018 |
28 |
|
[XYS]A:1368 |
10 |
1 |
264 |
f |
A |
x,y,z |
1_555 |
25 |
14 |
16385 |
103.3 |
0.2 |
0.362 |
6 |
0 |
0 |
0.018 |
| Average: |
105.3 |
0.1 |
0.368 |
6 |
0 |
0 |
0.018 |
| 13 |
29 |
|
[EDO]D:1367 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
19 |
6 |
16299 |
105.8 |
2.7 |
0.420 |
6 |
0 |
0 |
0.000 |
30 |
|
[EDO]C:1367 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
21 |
6 |
16283 |
104.8 |
2.7 |
0.441 |
6 |
0 |
0 |
0.000 |
| Average: |
105.3 |
2.7 |
0.431 |
6 |
0 |
0 |
0.000 |
| 14 |
31 |
|
[EDO]B:1367 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
22 |
6 |
16352 |
105.5 |
2.7 |
0.446 |
5 |
0 |
0 |
0.000 |
| 15 |
32 |
|
[XYS]D:1371 |
7 |
1 |
267 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
16283 |
86.3 |
0.6 |
0.376 |
0 |
0 |
0 |
0.000 |
33 |
|
[XYS]B:1370 |
7 |
1 |
268 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
16385 |
85.8 |
0.6 |
0.358 |
0 |
0 |
0 |
0.000 |
34 |
|
[XYS]A:1370 |
7 |
1 |
268 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
16352 |
83.5 |
0.4 |
0.315 |
0 |
0 |
0 |
0.000 |
35 |
|
[XYS]C:1370 |
7 |
1 |
269 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
16299 |
82.8 |
0.4 |
0.290 |
0 |
0 |
0 |
0.000 |
| Average: |
84.6 |
0.5 |
0.335 |
0 |
0 |
0 |
0.000 |
| 16 |
36 |
|
[XYP]B:1369 |
6 |
1 |
270 |
f |
[NAP]B:1368 |
x,y,z |
1_555 |
6 |
1 |
930 |
47.6 |
-1.1 |
0.578 |
0 |
0 |
0 |
0.008 |
| 17 |
37 |
|
[XYP]C:1369 |
6 |
1 |
272 |
f |
[NAP]C:1368 |
x,y,z |
1_555 |
6 |
1 |
931 |
45.9 |
-1.3 |
0.572 |
0 |
0 |
0 |
0.016 |
38 |
|
[XYP]A:1369 |
7 |
1 |
269 |
f |
[NAP]A:1367 |
x,y,z |
1_555 |
6 |
1 |
932 |
35.6 |
-1.0 |
0.581 |
0 |
0 |
0 |
0.016 |
39 |
|
[XYP]D:1370 |
7 |
1 |
271 |
f |
[NAP]D:1368 |
x,y,z |
1_555 |
6 |
1 |
929 |
35.5 |
-1.0 |
0.577 |
0 |
0 |
0 |
0.016 |
| Average: |
39.0 |
-1.1 |
0.577 |
0 |
0 |
0 |
0.016 |
| 18 |
40 |
|
[ZN]C:1371 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
5 |
16283 |
42.2 |
-31.3 |
0.000 |
0 |
0 |
0 |
0.411 |
41 |
|
[ZN]B:1371 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
16352 |
42.1 |
-31.3 |
0.000 |
0 |
0 |
0 |
0.411 |
42 |
|
[ZN]D:1372 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
5 |
16299 |
36.5 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.411 |
43 |
|
[ZN]A:1371 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
16385 |
35.6 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.411 |
| Average: |
39.1 |
-29.1 |
0.000 |
0 |
0 |
0 |
0.411 |
| 19 |
44 |
|
[XYS]A:1368 |
6 |
1 |
264 |
f |
[NAP]A:1367 |
x,y,z |
1_555 |
7 |
1 |
932 |
36.1 |
-0.1 |
0.325 |
0 |
0 |
0 |
0.000 |
45 |
|
[XYS]D:1369 |
6 |
1 |
267 |
f |
[NAP]D:1368 |
x,y,z |
1_555 |
7 |
1 |
929 |
35.6 |
-0.1 |
0.342 |
0 |
0 |
0 |
0.000 |
| Average: |
35.8 |
-0.1 |
0.334 |
0 |
0 |
0 |
0.001 |
| 20 |
46 |
|
[NAP]B:1368 |
2 |
1 |
930 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
16299 |
22.9 |
-0.0 |
0.234 |
0 |
0 |
0 |
0.000 |
47 |
|
[NAP]C:1368 |
1 |
1 |
931 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16385 |
22.7 |
-0.0 |
0.249 |
0 |
0 |
0 |
0.000 |
48 |
|
[NAP]A:1367 |
2 |
1 |
932 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
16283 |
22.7 |
-0.0 |
0.243 |
0 |
0 |
0 |
0.000 |
49 |
|
[NAP]D:1368 |
2 |
1 |
929 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16352 |
22.5 |
-0.1 |
0.225 |
0 |
0 |
0 |
0.000 |
| Average: |
22.7 |
-0.0 |
0.238 |
0 |
0 |
0 |
0.001 |
| 21 |
50 |
|
[ZN]C:1371 |
1 |
1 |
98 |
f |
[XYP]C:1369 |
x,y,z |
1_555 |
3 |
1 |
272 |
19.4 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.115 |
51 |
|
[ZN]B:1371 |
1 |
1 |
98 |
f |
[XYP]B:1369 |
x,y,z |
1_555 |
3 |
1 |
270 |
19.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.115 |
52 |
|
[ZN]A:1371 |
1 |
1 |
98 |
f |
[XYP]A:1369 |
x,y,z |
1_555 |
3 |
1 |
269 |
14.8 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.115 |
53 |
|
[ZN]D:1372 |
1 |
1 |
98 |
f |
[XYP]D:1370 |
x,y,z |
1_555 |
3 |
1 |
271 |
14.1 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.115 |
| Average: |
16.8 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.115 |
| 22 |
54 |
|
[ZN]A:1371 |
1 |
1 |
98 |
f |
[XYS]A:1368 |
x,y,z |
1_555 |
3 |
1 |
264 |
11.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.038 |
55 |
|
[ZN]D:1372 |
1 |
1 |
98 |
f |
[XYS]D:1369 |
x,y,z |
1_555 |
3 |
1 |
267 |
10.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.038 |
| Average: |
11.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.038 |
| 23 |
56 |
|
[XYP]B:1369 |
1 |
1 |
270 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
16299 |
5.9 |
0.3 |
0.768 |
0 |
0 |
0 |
0.000 |
57 |
|
[XYP]C:1369 |
1 |
1 |
272 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16385 |
4.4 |
0.2 |
0.776 |
0 |
0 |
0 |
0.000 |
58 |
|
[XYP]D:1370 |
1 |
1 |
271 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16352 |
3.6 |
0.2 |
0.764 |
0 |
0 |
0 |
0.000 |
59 |
|
[XYP]A:1369 |
1 |
1 |
269 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
16283 |
1.2 |
0.1 |
0.790 |
0 |
0 |
0 |
0.000 |
| Average: |
3.8 |
0.2 |
0.774 |
0 |
0 |
0 |
0.000 |
| 24 |
60 |
|
[XYS]D:1369 |
1 |
1 |
267 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16352 |
3.5 |
0.2 |
0.382 |
0 |
0 |
0 |
0.000 |
61 |
|
[XYS]A:1368 |
1 |
1 |
264 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
16283 |
1.2 |
0.1 |
0.395 |
0 |
0 |
0 |
0.000 |
| Average: |
2.3 |
0.1 |
0.388 |
0 |
0 |
0 |
0.000 |
|