| ## |
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 |
235 |
62 |
30331 |
◊ |
A |
x,y,z |
1_555 |
227 |
59 |
30223 |
2182.8 |
-17.8 |
0.096 |
37 |
11 |
0 |
1.000 |
2 |
|
D |
229 |
60 |
30499 |
◊ |
C |
x,y,z |
1_555 |
229 |
62 |
30616 |
2174.3 |
-18.9 |
0.074 |
31 |
9 |
0 |
1.000 |
| Average: |
2178.5 |
-18.3 |
0.085 |
34 |
10 |
0 |
1.000 |
| 2 |
3 |
|
D |
57 |
17 |
30499 |
◊ |
B |
x,y,z |
1_555 |
62 |
18 |
30331 |
574.0 |
-2.4 |
0.444 |
12 |
0 |
0 |
0.464 |
4 |
|
C |
56 |
17 |
30616 |
◊ |
A |
x,y,z |
1_555 |
57 |
16 |
30223 |
570.2 |
-3.3 |
0.368 |
12 |
0 |
0 |
0.464 |
| Average: |
572.1 |
-2.8 |
0.406 |
12 |
0 |
0 |
0.464 |
| 3 |
5 |
|
B |
63 |
21 |
30331 |
◊ |
C |
x,y-1,z-1 |
1_544 |
65 |
19 |
30616 |
556.8 |
-1.4 |
0.489 |
4 |
0 |
0 |
0.125 |
| 4 |
6 |
|
B |
60 |
20 |
30331 |
◊ |
C |
x-1,y-1,z-1 |
1_444 |
64 |
23 |
30616 |
525.1 |
-0.2 |
0.629 |
2 |
1 |
0 |
0.000 |
| 5 |
7 |
|
A |
37 |
12 |
30223 |
x |
A |
x-1,y,z |
1_455 |
40 |
12 |
30223 |
350.0 |
-3.0 |
0.258 |
1 |
1 |
0 |
0.000 |
8 |
|
C |
33 |
11 |
30616 |
x |
C |
x-1,y,z |
1_455 |
25 |
6 |
30616 |
286.4 |
-2.5 |
0.215 |
0 |
0 |
0 |
0.000 |
| Average: |
318.2 |
-2.7 |
0.237 |
1 |
1 |
0 |
0.000 |
| 6 |
9 |
|
A |
28 |
10 |
30223 |
◊ |
D |
x-1,y,z-1 |
1_454 |
27 |
9 |
30499 |
240.5 |
1.0 |
0.621 |
4 |
3 |
0 |
0.000 |
| 7 |
10 |
|
B |
29 |
12 |
30331 |
◊ |
D |
x,y,z-1 |
1_554 |
36 |
15 |
30499 |
206.7 |
-1.6 |
0.426 |
1 |
0 |
0 |
0.000 |
| 8 |
11 |
|
A |
24 |
8 |
30223 |
◊ |
C |
x-1,y,z-1 |
1_454 |
21 |
6 |
30616 |
202.0 |
-0.1 |
0.617 |
1 |
1 |
0 |
0.000 |
| 9 |
12 |
|
[AES]D:801 |
11 |
1 |
353 |
cf |
D |
x,y,z |
1_555 |
29 |
12 |
30499 |
192.4 |
3.8 |
0.300 |
3 |
0 |
0 |
0.000 |
13 |
|
[AES]A:801 |
11 |
1 |
353 |
cf |
A |
x,y,z |
1_555 |
29 |
13 |
30223 |
190.0 |
3.7 |
0.288 |
3 |
0 |
0 |
0.000 |
14 |
|
[AES]B:801 |
11 |
1 |
352 |
cf |
B |
x,y,z |
1_555 |
29 |
11 |
30331 |
189.2 |
3.8 |
0.296 |
3 |
0 |
0 |
0.000 |
| Average: |
190.5 |
3.8 |
0.295 |
3 |
0 |
0 |
0.000 |
| 10 |
15 |
|
[AES]C:801 |
11 |
1 |
349 |
cf |
C |
x,y,z |
1_555 |
29 |
12 |
30616 |
190.5 |
3.4 |
0.269 |
3 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[NAG]A:773A |
12 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
21 |
9 |
30223 |
186.2 |
6.4 |
0.652 |
2 |
0 |
0 |
0.000 |
17 |
|
[NAG]C:772A |
12 |
1 |
360 |
cf |
C |
x,y,z |
1_555 |
22 |
9 |
30616 |
185.5 |
6.2 |
0.642 |
3 |
0 |
0 |
0.000 |
18 |
|
[NAG]B:774A |
12 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
21 |
9 |
30331 |
184.2 |
6.1 |
0.621 |
3 |
0 |
0 |
0.000 |
19 |
|
[NAG]D:776A |
12 |
1 |
363 |
cf |
D |
x,y,z |
1_555 |
22 |
9 |
30499 |
181.1 |
6.2 |
0.645 |
2 |
0 |
0 |
0.000 |
| Average: |
184.2 |
6.2 |
0.640 |
3 |
0 |
0 |
0.000 |
| 12 |
20 |
|
A |
24 |
7 |
30223 |
◊ |
D |
x,y,z-1 |
1_554 |
26 |
10 |
30499 |
185.3 |
0.1 |
0.639 |
0 |
0 |
0 |
0.000 |
| 13 |
21 |
|
B |
17 |
5 |
30331 |
x |
B |
x-1,y,z |
1_455 |
15 |
7 |
30331 |
168.7 |
-1.3 |
0.301 |
2 |
2 |
0 |
0.000 |
22 |
|
D |
16 |
7 |
30499 |
x |
D |
x-1,y,z |
1_455 |
21 |
6 |
30499 |
132.9 |
-1.6 |
0.305 |
0 |
0 |
0 |
0.000 |
| Average: |
150.8 |
-1.4 |
0.303 |
1 |
1 |
0 |
0.000 |
| 14 |
23 |
|
[NAG]D:771A |
12 |
1 |
364 |
cf |
D |
x,y,z |
1_555 |
22 |
8 |
30499 |
165.4 |
4.7 |
0.484 |
1 |
0 |
0 |
0.000 |
24 |
|
[NAG]B:771A |
12 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
20 |
8 |
30331 |
162.2 |
4.7 |
0.478 |
2 |
0 |
0 |
0.000 |
25 |
|
[NAG]C:769A |
12 |
1 |
360 |
cf |
C |
x,y,z |
1_555 |
20 |
8 |
30616 |
160.3 |
4.4 |
0.472 |
1 |
0 |
0 |
0.000 |
26 |
|
[NAG]A:769A |
12 |
1 |
366 |
cf |
A |
x,y,z |
1_555 |
19 |
8 |
30223 |
157.9 |
4.0 |
0.436 |
1 |
0 |
0 |
0.000 |
| Average: |
161.4 |
4.4 |
0.468 |
1 |
0 |
0 |
0.000 |
| 15 |
27 |
|
[NAG]A:772A |
10 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
23 |
10 |
30223 |
159.2 |
4.0 |
0.519 |
0 |
0 |
0 |
0.000 |
| 16 |
28 |
|
D |
12 |
4 |
30499 |
◊ |
C |
x,y-1,z |
1_545 |
18 |
6 |
30616 |
150.8 |
0.1 |
0.551 |
1 |
1 |
0 |
0.000 |
29 |
|
B |
16 |
5 |
30331 |
◊ |
A |
x,y-1,z |
1_545 |
13 |
5 |
30223 |
114.3 |
-1.1 |
0.353 |
1 |
0 |
0 |
0.000 |
| Average: |
132.5 |
-0.5 |
0.452 |
1 |
1 |
0 |
0.000 |
| 17 |
30 |
|
[NAG]C:767A |
12 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
22 |
7 |
30616 |
149.3 |
4.4 |
0.455 |
0 |
0 |
0 |
0.000 |
31 |
|
[NAG]A:767A |
12 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
20 |
8 |
30223 |
146.5 |
4.0 |
0.413 |
2 |
0 |
0 |
0.000 |
32 |
|
[NAG]B:767A |
11 |
1 |
358 |
cf |
B |
x,y,z |
1_555 |
23 |
7 |
30331 |
145.8 |
4.1 |
0.453 |
2 |
0 |
0 |
0.000 |
| Average: |
147.2 |
4.2 |
0.440 |
1 |
0 |
0 |
0.000 |
| 18 |
33 |
|
[NAG]C:771A |
10 |
1 |
355 |
cf |
C |
x,y,z |
1_555 |
19 |
8 |
30616 |
147.3 |
3.5 |
0.483 |
1 |
0 |
0 |
0.000 |
34 |
|
[NAG]D:774A |
10 |
1 |
354 |
cf |
D |
x,y,z |
1_555 |
17 |
7 |
30499 |
134.7 |
2.9 |
0.382 |
1 |
0 |
0 |
0.000 |
| Average: |
141.0 |
3.2 |
0.432 |
1 |
0 |
0 |
0.000 |
| 19 |
35 |
|
[NAG]B:773A |
10 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
22 |
9 |
30331 |
142.8 |
3.6 |
0.472 |
0 |
0 |
0 |
0.000 |
| 20 |
36 |
|
[NAG]D:768A |
12 |
1 |
359 |
cf |
D |
x,y,z |
1_555 |
18 |
6 |
30499 |
137.4 |
3.3 |
0.304 |
1 |
0 |
0 |
0.000 |
37 |
|
[NAG]C:768A |
13 |
1 |
359 |
cf |
C |
x,y,z |
1_555 |
14 |
4 |
30616 |
131.5 |
3.7 |
0.328 |
1 |
0 |
0 |
0.000 |
38 |
|
[NAG]B:768A |
12 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
19 |
5 |
30331 |
127.9 |
3.4 |
0.369 |
1 |
0 |
0 |
0.000 |
| Average: |
132.3 |
3.5 |
0.334 |
1 |
0 |
0 |
0.000 |
| 21 |
39 |
|
[NAG]A:768A |
12 |
1 |
355 |
cf |
A |
x,y,z |
1_555 |
18 |
6 |
30223 |
117.5 |
2.8 |
0.280 |
0 |
0 |
0 |
0.000 |
| 22 |
40 |
|
[NAG]D:767A |
10 |
1 |
356 |
cf |
D |
x,y,z |
1_555 |
15 |
4 |
30499 |
113.4 |
1.8 |
0.233 |
1 |
0 |
0 |
0.000 |
| 23 |
41 |
|
[NAG]B:772A |
11 |
1 |
363 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
30499 |
111.2 |
2.2 |
0.300 |
0 |
0 |
0 |
0.000 |
| 24 |
42 |
|
[NAG]A:771A |
11 |
1 |
354 |
◊ |
C |
x,y,z |
1_555 |
16 |
8 |
30616 |
104.6 |
1.6 |
0.220 |
1 |
0 |
0 |
0.000 |
| 25 |
43 |
|
[SO4]C:1502 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
30616 |
104.6 |
-16.5 |
0.667 |
3 |
0 |
0 |
1.000 |
| 26 |
44 |
|
[SO4]D:1503 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
30499 |
103.4 |
-16.0 |
0.703 |
3 |
0 |
0 |
1.000 |
| 27 |
45 |
|
[SO4]A:1500 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
30223 |
103.2 |
-16.0 |
0.687 |
4 |
0 |
0 |
1.000 |
| 28 |
46 |
|
[NAG]C:770A |
12 |
1 |
355 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
30223 |
102.8 |
0.6 |
0.093 |
1 |
0 |
0 |
0.000 |
| 29 |
47 |
|
[SO4]B:1501 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
30331 |
102.5 |
-16.2 |
0.676 |
3 |
0 |
0 |
1.000 |
| 30 |
48 |
|
[NAG]D:775B |
9 |
1 |
358 |
f |
D |
x,y,z |
1_555 |
14 |
3 |
30499 |
90.5 |
0.7 |
0.167 |
1 |
0 |
0 |
0.000 |
| 31 |
49 |
|
[NAG]B:772A |
9 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
9 |
3 |
30331 |
87.1 |
2.7 |
0.427 |
0 |
0 |
0 |
0.000 |
| 32 |
50 |
|
B |
6 |
1 |
30331 |
◊ |
D |
x-1,y,z-1 |
1_454 |
13 |
4 |
30499 |
85.2 |
-0.5 |
0.141 |
0 |
0 |
0 |
0.000 |
| 33 |
51 |
|
[NAG]C:773B |
8 |
1 |
361 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
30616 |
84.8 |
2.7 |
0.424 |
2 |
0 |
0 |
0.000 |
| 34 |
52 |
|
[NAG]D:777B |
8 |
1 |
355 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
30499 |
82.2 |
2.6 |
0.442 |
0 |
0 |
0 |
0.000 |
| 35 |
53 |
|
[NAG]B:775B |
8 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
30331 |
81.9 |
2.4 |
0.360 |
2 |
0 |
0 |
0.000 |
| 36 |
54 |
|
[NAG]D:773A |
9 |
1 |
352 |
◊ |
B |
x,y,z |
1_555 |
7 |
5 |
30331 |
81.5 |
0.3 |
0.112 |
0 |
0 |
0 |
0.000 |
| 37 |
55 |
|
[NAG]B:769B |
10 |
1 |
360 |
cf |
[NAG]B:768A |
x,y,z |
1_555 |
6 |
1 |
363 |
77.8 |
2.0 |
0.103 |
0 |
0 |
0 |
0.000 |
56 |
|
[NAG]D:772B |
7 |
1 |
357 |
cf |
[NAG]D:771A |
x,y,z |
1_555 |
5 |
1 |
364 |
71.9 |
1.6 |
0.127 |
1 |
0 |
0 |
0.000 |
57 |
|
[NAG]A:770B |
9 |
1 |
358 |
cf |
[NAG]A:769A |
x,y,z |
1_555 |
6 |
1 |
366 |
68.4 |
1.3 |
0.074 |
0 |
0 |
0 |
0.000 |
| Average: |
72.7 |
1.6 |
0.101 |
0 |
0 |
0 |
0.000 |
| 38 |
58 |
|
[NAG]A:774B |
8 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
30223 |
77.7 |
2.6 |
0.426 |
2 |
0 |
0 |
0.000 |
| 39 |
59 |
|
[NAG]D:773A |
7 |
1 |
352 |
cf |
D |
x,y,z |
1_555 |
7 |
2 |
30499 |
74.2 |
2.0 |
0.438 |
1 |
0 |
0 |
0.000 |
| 40 |
60 |
|
[NAG]B:769B |
10 |
1 |
360 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
2 |
30331 |
74.1 |
-0.0 |
0.055 |
0 |
0 |
0 |
0.000 |
| 41 |
61 |
|
[NAG]D:777B |
10 |
1 |
355 |
cf |
[NAG]D:776A |
x,y,z |
1_555 |
6 |
1 |
363 |
73.8 |
1.6 |
0.091 |
0 |
0 |
0 |
0.000 |
62 |
|
[NAG]A:774B |
9 |
1 |
364 |
cf |
[NAG]A:773A |
x,y,z |
1_555 |
6 |
1 |
362 |
71.4 |
1.6 |
0.099 |
0 |
0 |
0 |
0.000 |
63 |
|
[NAG]B:775B |
10 |
1 |
363 |
cf |
[NAG]B:774A |
x,y,z |
1_555 |
6 |
1 |
362 |
70.1 |
1.5 |
0.079 |
0 |
0 |
0 |
0.000 |
| Average: |
71.8 |
1.6 |
0.090 |
0 |
0 |
0 |
0.000 |
| 42 |
64 |
|
[NAG]C:773B |
8 |
1 |
361 |
cf |
[NAG]C:772A |
x,y,z |
1_555 |
6 |
1 |
360 |
71.5 |
1.5 |
0.110 |
0 |
0 |
0 |
0.000 |
| 43 |
65 |
|
[NAG]D:769B |
9 |
1 |
350 |
cf |
[NAG]D:768A |
x,y,z |
1_555 |
5 |
1 |
359 |
66.7 |
1.5 |
0.085 |
0 |
0 |
0 |
0.000 |
| 44 |
66 |
|
[NAG]D:775B |
9 |
1 |
358 |
cf |
[NAG]D:774A |
x,y,z |
1_555 |
7 |
1 |
354 |
66.5 |
1.3 |
0.057 |
0 |
0 |
0 |
0.000 |
| 45 |
67 |
|
D |
10 |
3 |
30499 |
◊ |
[NAG]D:769B |
x-1,y,z |
1_455 |
7 |
1 |
350 |
66.4 |
0.6 |
0.208 |
0 |
0 |
0 |
0.000 |
| 46 |
68 |
|
[NAG]C:770A |
8 |
1 |
355 |
cf |
C |
x,y,z |
1_555 |
6 |
2 |
30616 |
66.2 |
1.7 |
0.303 |
0 |
0 |
0 |
0.000 |
| 47 |
69 |
|
[BMA]D:770C |
7 |
1 |
294 |
cf |
[NAG]D:769B |
x,y,z |
1_555 |
7 |
1 |
350 |
64.1 |
1.2 |
0.081 |
0 |
0 |
0 |
0.000 |
| 48 |
70 |
|
[NAG]A:771A |
7 |
1 |
354 |
cf |
A |
x,y,z |
1_555 |
5 |
2 |
30223 |
60.2 |
1.6 |
0.315 |
0 |
0 |
0 |
0.000 |
| 49 |
71 |
|
D |
7 |
2 |
30499 |
◊ |
[BMA]D:770C |
x-1,y,z |
1_455 |
8 |
1 |
294 |
59.7 |
1.1 |
0.257 |
0 |
0 |
0 |
0.000 |
| 50 |
72 |
|
[BMA]B:770C |
6 |
1 |
292 |
cf |
[NAG]B:769B |
x,y,z |
1_555 |
5 |
1 |
360 |
58.3 |
1.1 |
0.135 |
0 |
0 |
0 |
0.000 |
| 51 |
73 |
|
D |
2 |
2 |
30499 |
◊ |
[NAG]D:768A |
x-1,y,z |
1_455 |
5 |
1 |
359 |
55.9 |
0.7 |
0.071 |
0 |
0 |
0 |
0.000 |
| 52 |
74 |
|
A |
7 |
3 |
30223 |
◊ |
[NAG]A:768A |
x-1,y,z |
1_455 |
6 |
1 |
355 |
54.6 |
1.2 |
0.325 |
0 |
0 |
0 |
0.000 |
| 53 |
75 |
|
[NAG]B:768A |
9 |
1 |
363 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
3 |
30331 |
53.5 |
-0.5 |
0.040 |
0 |
0 |
0 |
0.000 |
| 54 |
76 |
|
[NAG]D:769B |
7 |
1 |
350 |
f |
D |
x,y,z |
1_555 |
5 |
1 |
30499 |
53.4 |
1.4 |
0.320 |
1 |
0 |
0 |
0.000 |
| 55 |
77 |
|
[NAG]B:769B |
7 |
1 |
360 |
f |
B |
x,y,z |
1_555 |
5 |
1 |
30331 |
52.5 |
1.2 |
0.335 |
0 |
0 |
0 |
0.000 |
| 56 |
78 |
|
[NAG]B:768A |
5 |
1 |
363 |
◊ |
[NAG]B:773A |
x-1,y,z |
1_455 |
4 |
1 |
359 |
50.8 |
2.8 |
0.376 |
0 |
0 |
0 |
0.000 |
| 57 |
79 |
|
[NAG]A:772A |
5 |
1 |
364 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
1 |
30223 |
48.0 |
0.6 |
0.243 |
0 |
0 |
0 |
0.000 |
| 58 |
80 |
|
[NAG]A:774B |
5 |
1 |
364 |
◊ |
A |
x-1,y,z |
1_455 |
10 |
3 |
30223 |
45.6 |
1.3 |
0.430 |
0 |
0 |
0 |
0.000 |
| 59 |
81 |
|
[NAG]A:770B |
5 |
1 |
358 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
30223 |
32.7 |
0.6 |
0.287 |
0 |
0 |
0 |
0.000 |
82 |
|
[NAG]D:772B |
4 |
1 |
357 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
30499 |
27.1 |
0.2 |
0.252 |
0 |
0 |
0 |
0.000 |
| Average: |
29.9 |
0.4 |
0.269 |
0 |
0 |
0 |
0.000 |
| 60 |
83 |
|
B |
2 |
1 |
30331 |
◊ |
[NAG]C:767A |
x,y-1,z-1 |
1_544 |
2 |
1 |
363 |
20.7 |
0.1 |
0.196 |
0 |
0 |
0 |
0.000 |
| 61 |
84 |
|
C |
2 |
1 |
30616 |
◊ |
[NAG]C:771A |
x-1,y,z |
1_455 |
3 |
1 |
355 |
20.0 |
0.1 |
0.193 |
0 |
0 |
0 |
0.000 |
| 62 |
85 |
|
[BMA]B:770C |
2 |
1 |
292 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
30331 |
17.7 |
0.5 |
0.421 |
0 |
0 |
0 |
0.000 |
| 63 |
86 |
|
[BMA]B:770C |
3 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
30331 |
16.9 |
0.6 |
0.489 |
0 |
0 |
0 |
0.000 |
| 64 |
87 |
|
C |
3 |
2 |
30616 |
◊ |
[NAG]C:773B |
x-1,y,z |
1_455 |
2 |
1 |
361 |
12.9 |
0.4 |
0.411 |
0 |
0 |
0 |
0.000 |
| 65 |
88 |
|
[NAG]C:768A |
3 |
1 |
359 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
2 |
30616 |
10.9 |
0.6 |
0.441 |
0 |
0 |
0 |
0.000 |
| 66 |
89 |
|
[NAG]B:769B |
4 |
1 |
360 |
◊ |
[NAG]B:773A |
x-1,y,z |
1_455 |
1 |
1 |
359 |
7.7 |
0.1 |
0.163 |
0 |
0 |
0 |
0.000 |
| 67 |
90 |
|
[BMA]D:770C |
2 |
1 |
294 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
30499 |
2.8 |
0.1 |
0.448 |
0 |
0 |
0 |
0.000 |
|