## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
55 |
16 |
17145 |
x |
A |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
71 |
25 |
17145 |
561.9 |
1.4 |
0.676 |
7 |
8 |
0 |
0.000 |
2 |
|
A |
51 |
17 |
17145 |
x |
A |
x-1/2,-y-1/2,-z |
8_445 |
48 |
17 |
17145 |
468.4 |
1.2 |
0.721 |
5 |
1 |
0 |
0.000 |
3 |
|
A |
38 |
11 |
17145 |
◊ |
A |
-x-1,y,-z+1/2 |
3_455 |
38 |
11 |
17145 |
361.0 |
-8.7 |
0.018 |
4 |
0 |
0 |
0.000 |
4 |
|
A |
33 |
13 |
17145 |
◊ |
A |
x,-y-1,-z |
4_545 |
33 |
13 |
17145 |
314.0 |
9.7 |
0.995 |
8 |
14 |
0 |
0.000 |
5 |
|
[MPD]A:1466 |
7 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
17145 |
166.5 |
-11.7 |
0.651 |
3 |
0 |
0 |
0.169 |
6 |
|
[MPD]A:1472 |
8 |
1 |
270 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
17145 |
157.0 |
-7.9 |
0.855 |
1 |
0 |
0 |
0.108 |
7 |
|
[MRD]A:1468 |
7 |
1 |
272 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
17145 |
154.5 |
1.2 |
0.275 |
1 |
0 |
0 |
0.000 |
8 |
|
[MRD]A:1467 |
6 |
1 |
275 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
17145 |
152.0 |
2.6 |
0.459 |
0 |
0 |
0 |
0.000 |
9 |
|
[MRD]A:1477 |
7 |
1 |
263 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
17145 |
146.5 |
2.9 |
0.532 |
1 |
0 |
0 |
0.000 |
10 |
|
[MRD]A:1471 |
7 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
17145 |
140.5 |
0.4 |
0.276 |
1 |
0 |
0 |
0.000 |
11 |
|
A |
15 |
5 |
17145 |
◊ |
A |
x,-y,-z |
4_555 |
15 |
5 |
17145 |
140.0 |
-2.2 |
0.238 |
0 |
0 |
0 |
0.000 |
12 |
|
[MRD]A:1475 |
7 |
1 |
278 |
◊ |
A |
x,y,z |
1_555 |
21 |
10 |
17145 |
133.6 |
0.4 |
0.346 |
4 |
0 |
0 |
0.000 |
13 |
|
A |
16 |
6 |
17145 |
f |
[MPD]A:1476 |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
5 |
1 |
267 |
127.9 |
-7.5 |
0.657 |
1 |
0 |
0 |
0.103 |
14 |
|
[MRD]A:1481 |
7 |
1 |
268 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
17145 |
125.0 |
1.4 |
0.339 |
0 |
0 |
0 |
0.000 |
15 |
|
[MPD]A:1478 |
7 |
1 |
273 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
17145 |
122.7 |
-6.8 |
0.746 |
0 |
0 |
0 |
0.088 |
16 |
|
A |
14 |
4 |
17145 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
14 |
4 |
17145 |
121.7 |
-1.2 |
0.396 |
2 |
0 |
0 |
0.014 |
17 |
|
[MPD]A:1470 |
7 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
17145 |
114.3 |
-6.2 |
0.875 |
1 |
0 |
0 |
0.086 |
18 |
|
[MRD]A:1473 |
6 |
1 |
271 |
◊ |
A |
x,-y-1,-z |
4_545 |
15 |
5 |
17145 |
114.2 |
3.3 |
0.623 |
0 |
0 |
0 |
0.000 |
19 |
|
A |
16 |
4 |
17145 |
f |
[MRD]A:1469 |
x-1/2,-y-1/2,-z |
8_445 |
5 |
1 |
264 |
104.1 |
1.3 |
0.405 |
1 |
0 |
0 |
0.000 |
20 |
|
[MRD]A:1469 |
6 |
1 |
264 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
17145 |
99.5 |
2.0 |
0.483 |
1 |
0 |
0 |
0.000 |
21 |
|
[MPD]A:1474 |
7 |
1 |
273 |
f |
[MPD]A:1474 |
-x,y,-z+1/2 |
3_555 |
7 |
1 |
273 |
95.7 |
-9.2 |
1.000 |
0 |
0 |
0 |
0.100 |
22 |
|
[MRD]A:1473 |
6 |
1 |
271 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
17145 |
91.2 |
1.0 |
0.396 |
1 |
0 |
0 |
0.000 |
23 |
|
[MRD]A:1480 |
5 |
1 |
267 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
17145 |
90.5 |
1.5 |
0.434 |
0 |
0 |
0 |
0.000 |
24 |
|
[MPD]A:1474 |
7 |
1 |
273 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
15 |
5 |
17145 |
85.3 |
-4.3 |
0.763 |
3 |
0 |
0 |
0.073 |
25 |
|
[MPD]A:1474 |
7 |
1 |
273 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
17145 |
82.5 |
-4.4 |
0.767 |
3 |
0 |
0 |
0.074 |
26 |
|
[MPD]A:1479 |
4 |
1 |
269 |
f |
A |
x-1/2,-y-1/2,-z |
8_445 |
7 |
4 |
17145 |
81.4 |
-4.0 |
0.855 |
1 |
0 |
0 |
0.057 |
27 |
|
[MPD]A:1476 |
6 |
1 |
267 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
17145 |
78.5 |
-4.3 |
0.000 |
1 |
0 |
0 |
0.000 |
28 |
|
[MRD]A:1480 |
6 |
1 |
267 |
◊ |
A |
x,-y-1,-z |
4_545 |
10 |
2 |
17145 |
76.9 |
0.7 |
0.324 |
0 |
0 |
0 |
0.000 |
29 |
|
A |
10 |
3 |
17145 |
f |
[MRD]A:1467 |
x-1/2,-y-1/2,-z |
8_445 |
4 |
1 |
275 |
64.3 |
0.2 |
0.372 |
0 |
0 |
0 |
0.000 |
30 |
|
[MPD]A:1479 |
5 |
1 |
269 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
17145 |
63.7 |
-3.8 |
0.000 |
1 |
0 |
0 |
0.000 |
31 |
|
[MRD]A:1480 |
3 |
1 |
267 |
f |
[MRD]A:1473 |
x,y,z |
1_555 |
4 |
1 |
271 |
45.5 |
0.7 |
0.239 |
0 |
0 |
0 |
0.000 |
32 |
|
[MRD]A:1471 |
4 |
1 |
278 |
f |
[MPD]A:1466 |
x,y,z |
1_555 |
3 |
1 |
277 |
39.2 |
-1.8 |
0.460 |
1 |
0 |
0 |
0.029 |
33 |
|
[MRD]A:1468 |
3 |
1 |
272 |
f |
[MPD]A:1478 |
x,y,z |
1_555 |
5 |
1 |
273 |
37.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.010 |
34 |
|
[MRD]A:1475 |
2 |
1 |
278 |
f |
[MPD]A:1479 |
x,y,z |
1_555 |
3 |
1 |
269 |
35.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.019 |
35 |
|
[MPD]A:1478 |
3 |
1 |
273 |
f |
[MPD]A:1470 |
x,y,z |
1_555 |
4 |
1 |
278 |
31.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.039 |
36 |
|
[MRD]A:1481 |
2 |
1 |
268 |
f |
[MPD]A:1470 |
x,y,z |
1_555 |
4 |
1 |
278 |
29.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.011 |
37 |
|
[OH]A:1482 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
17145 |
29.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.040 |
38 |
|
[OH]A:1482 |
1 |
1 |
99 |
f |
[CU]A:1465 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.054 |
39 |
|
[OH]A:1482 |
1 |
1 |
99 |
f |
[CU]A:1463 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.048 |
40 |
|
[CU]A:1465 |
1 |
1 |
125 |
f |
[CU]A:1463 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.031 |
41 |
|
[MPD]A:1479 |
2 |
1 |
269 |
◊ |
A |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
2 |
1 |
17145 |
10.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
42 |
|
[MRD]A:1468 |
1 |
1 |
272 |
◊ |
A |
-x-1,y,-z+1/2 |
3_455 |
1 |
1 |
17145 |
9.6 |
0.5 |
0.705 |
0 |
0 |
0 |
0.000 |
43 |
|
[MRD]A:1475 |
1 |
1 |
278 |
◊ |
A |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
3 |
2 |
17145 |
8.6 |
0.4 |
0.652 |
0 |
0 |
0 |
0.000 |
|