| ## |
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 |
|
F |
199 |
54 |
22833 |
◊ |
E |
x,y,z |
1_555 |
211 |
65 |
23104 |
1941.4 |
-17.5 |
0.205 |
18 |
11 |
0 |
0.581 |
2 |
|
F |
212 |
61 |
22833 |
◊ |
D |
x,y,z |
1_555 |
193 |
50 |
23089 |
1933.2 |
-18.3 |
0.197 |
19 |
10 |
0 |
0.581 |
3 |
|
E |
192 |
52 |
23104 |
◊ |
D |
x,y,z |
1_555 |
212 |
66 |
23089 |
1912.7 |
-16.6 |
0.194 |
22 |
11 |
0 |
0.581 |
4 |
|
C |
185 |
51 |
23096 |
◊ |
B |
x,y,z |
1_555 |
215 |
63 |
22705 |
1906.7 |
-19.6 |
0.160 |
21 |
10 |
0 |
0.581 |
5 |
|
C |
214 |
64 |
23096 |
◊ |
A |
x,y,z |
1_555 |
190 |
53 |
22846 |
1899.8 |
-16.6 |
0.245 |
19 |
10 |
0 |
0.581 |
6 |
|
B |
181 |
48 |
22705 |
◊ |
A |
x,y,z |
1_555 |
203 |
60 |
22846 |
1860.9 |
-18.1 |
0.170 |
19 |
11 |
0 |
0.581 |
| Average: |
1909.1 |
-17.8 |
0.195 |
20 |
11 |
0 |
0.581 |
| 2 |
7 |
|
F |
62 |
20 |
22833 |
◊ |
C |
x,y-1,z |
1_545 |
72 |
24 |
23096 |
606.8 |
-2.2 |
0.657 |
4 |
2 |
0 |
0.000 |
8 |
|
D |
61 |
20 |
23089 |
◊ |
A |
x,y,z |
1_555 |
72 |
24 |
22846 |
597.6 |
-2.8 |
0.544 |
5 |
2 |
0 |
0.000 |
| Average: |
602.2 |
-2.5 |
0.601 |
5 |
2 |
0 |
0.000 |
| 3 |
9 |
|
D |
28 |
8 |
23089 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
35 |
12 |
23096 |
257.5 |
0.3 |
0.755 |
2 |
1 |
0 |
0.000 |
10 |
|
E |
30 |
12 |
23104 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
16 |
7 |
22705 |
170.5 |
0.5 |
0.752 |
1 |
0 |
0 |
0.000 |
| Average: |
214.0 |
0.4 |
0.754 |
2 |
1 |
0 |
0.000 |
| 4 |
11 |
|
D |
22 |
7 |
23089 |
◊ |
E |
x-1,y,z |
1_455 |
23 |
9 |
23104 |
199.0 |
-0.2 |
0.656 |
3 |
0 |
0 |
0.000 |
| 5 |
12 |
|
[MAN]B:606 |
11 |
1 |
289 |
◊ |
E |
x-1,y,z |
1_455 |
24 |
11 |
23104 |
158.5 |
2.5 |
0.287 |
6 |
0 |
0 |
0.000 |
| 6 |
13 |
|
F |
15 |
5 |
22833 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
12 |
4 |
22705 |
145.7 |
2.3 |
0.922 |
2 |
0 |
0 |
0.000 |
14 |
|
D |
7 |
2 |
23089 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
6 |
4 |
22846 |
53.9 |
0.8 |
0.651 |
0 |
0 |
0 |
0.000 |
| Average: |
99.8 |
1.6 |
0.786 |
1 |
0 |
0 |
0.000 |
| 7 |
15 |
|
B |
13 |
4 |
22705 |
◊ |
C |
x-1,y,z |
1_455 |
18 |
6 |
23096 |
121.6 |
-0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
| 8 |
16 |
|
[K]D:606 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
23089 |
120.7 |
-77.3 |
0.000 |
0 |
0 |
0 |
0.525 |
17 |
|
[K]A:607 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
22846 |
120.4 |
-76.9 |
0.000 |
0 |
0 |
0 |
0.525 |
| Average: |
120.5 |
-77.1 |
0.000 |
0 |
0 |
0 |
0.525 |
| 9 |
18 |
|
[EDO]E:604 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
20 |
7 |
23104 |
119.1 |
2.6 |
0.424 |
2 |
0 |
0 |
0.000 |
| 10 |
19 |
|
[EDO]C:605 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
20 |
7 |
23096 |
118.3 |
2.7 |
0.421 |
1 |
0 |
0 |
0.000 |
| 11 |
20 |
|
[EDO]D:605 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
20 |
6 |
23089 |
117.2 |
2.7 |
0.448 |
2 |
0 |
0 |
0.000 |
| 12 |
21 |
|
[EDO]F:603 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
16 |
7 |
22833 |
117.1 |
2.8 |
0.420 |
0 |
0 |
0 |
0.000 |
| 13 |
22 |
|
B |
16 |
5 |
22705 |
◊ |
F |
x-1,y+1,z |
1_465 |
14 |
6 |
22833 |
114.8 |
-2.1 |
0.294 |
0 |
0 |
0 |
0.000 |
| 14 |
23 |
|
[EDO]D:602 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
23089 |
111.3 |
4.1 |
0.512 |
2 |
0 |
0 |
0.000 |
| 15 |
24 |
|
[EDO]A:605 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
22846 |
108.9 |
2.6 |
0.439 |
4 |
0 |
0 |
0.000 |
| 16 |
25 |
|
[EDO]D:604 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
23089 |
108.2 |
2.8 |
0.450 |
4 |
0 |
0 |
0.000 |
| 17 |
26 |
|
[NAG]A:602 |
10 |
1 |
365 |
cf |
A |
x,y,z |
1_555 |
13 |
4 |
22846 |
103.8 |
2.2 |
0.323 |
2 |
0 |
0 |
0.000 |
| 18 |
27 |
|
[EDO]C:604 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
23096 |
102.0 |
2.9 |
0.457 |
2 |
0 |
0 |
0.000 |
| 19 |
28 |
|
[NAG]B:602 |
9 |
1 |
352 |
cf |
B |
x,y,z |
1_555 |
13 |
4 |
22705 |
101.1 |
2.5 |
0.384 |
1 |
0 |
0 |
0.000 |
| 20 |
29 |
|
[EDO]E:603 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
15 |
6 |
23104 |
99.9 |
2.6 |
0.398 |
1 |
0 |
0 |
0.000 |
30 |
|
[EDO]A:606 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
22846 |
96.5 |
2.7 |
0.414 |
1 |
0 |
0 |
0.000 |
| Average: |
98.2 |
2.7 |
0.406 |
1 |
0 |
0 |
0.000 |
| 21 |
31 |
|
[EDO]D:603 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
23089 |
99.5 |
2.5 |
0.402 |
1 |
0 |
0 |
0.000 |
| 22 |
32 |
|
[NAG]E:602 |
8 |
1 |
363 |
cf |
E |
x,y,z |
1_555 |
8 |
3 |
23104 |
86.9 |
2.9 |
0.440 |
0 |
0 |
0 |
0.000 |
| 23 |
33 |
|
[NAG]B:607 |
7 |
1 |
358 |
cf |
B |
x,y,z |
1_555 |
10 |
3 |
22705 |
85.7 |
2.7 |
0.508 |
0 |
0 |
0 |
0.000 |
| 24 |
34 |
|
[NAG]F:601 |
10 |
1 |
363 |
cf |
F |
x,y,z |
1_555 |
8 |
4 |
22833 |
85.4 |
2.4 |
0.317 |
0 |
0 |
0 |
0.000 |
| 25 |
35 |
|
[NAG]B:601 |
5 |
1 |
352 |
cf |
B |
x,y,z |
1_555 |
8 |
3 |
22705 |
82.3 |
2.9 |
0.644 |
0 |
0 |
0 |
0.000 |
| 26 |
36 |
|
[NAG]B:603 |
7 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
7 |
2 |
22705 |
81.7 |
2.2 |
0.454 |
0 |
0 |
0 |
0.000 |
| 27 |
37 |
|
[NAG]D:601 |
6 |
1 |
362 |
cf |
D |
x,y,z |
1_555 |
12 |
3 |
23089 |
76.8 |
2.1 |
0.462 |
1 |
0 |
0 |
0.000 |
| 28 |
38 |
|
[NAG]A:604 |
7 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
6 |
2 |
22846 |
75.1 |
2.5 |
0.456 |
0 |
0 |
0 |
0.000 |
| 29 |
39 |
|
[NAG]A:603 |
7 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
7 |
2 |
22846 |
74.3 |
2.0 |
0.461 |
0 |
0 |
0 |
0.000 |
| 30 |
40 |
|
[NAG]C:603 |
8 |
1 |
362 |
cf |
C |
x,y,z |
1_555 |
10 |
4 |
23096 |
73.6 |
1.7 |
0.307 |
1 |
0 |
0 |
0.000 |
| 31 |
41 |
|
[NA]E:605 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
15 |
7 |
23104 |
73.5 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.539 |
42 |
|
[NA]C:606 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
23096 |
71.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.539 |
43 |
|
[NA]F:605 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
15 |
7 |
22833 |
70.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.539 |
| Average: |
71.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.539 |
| 32 |
44 |
|
[NAG]B:604 |
10 |
1 |
354 |
cf |
[NAG]B:603 |
x,y,z |
1_555 |
6 |
1 |
359 |
70.6 |
1.6 |
0.100 |
1 |
0 |
0 |
0.000 |
| 33 |
45 |
|
[NAG]E:601 |
9 |
1 |
360 |
cf |
E |
x,y,z |
1_555 |
6 |
3 |
23104 |
69.6 |
2.1 |
0.349 |
0 |
0 |
0 |
0.000 |
| 34 |
46 |
|
[NAG]C:602 |
10 |
1 |
359 |
cf |
C |
x,y,z |
1_555 |
6 |
2 |
23096 |
68.2 |
2.1 |
0.244 |
0 |
0 |
0 |
0.000 |
| 35 |
47 |
|
[NAG]F:604 |
8 |
1 |
355 |
cf |
F |
x,y,z |
1_555 |
6 |
2 |
22833 |
63.3 |
1.2 |
0.222 |
1 |
0 |
0 |
0.000 |
| 36 |
48 |
|
[NAG]A:601 |
8 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
4 |
1 |
22846 |
61.9 |
1.3 |
0.278 |
1 |
0 |
0 |
0.000 |
| 37 |
49 |
|
[NAG]F:602 |
9 |
1 |
363 |
cf |
F |
x,y,z |
1_555 |
6 |
2 |
22833 |
61.9 |
1.6 |
0.299 |
1 |
0 |
0 |
0.000 |
| 38 |
50 |
|
[BMA]B:605 |
7 |
1 |
294 |
cf |
[NAG]B:604 |
x,y,z |
1_555 |
5 |
1 |
354 |
59.0 |
1.1 |
0.112 |
1 |
0 |
0 |
0.000 |
| 39 |
51 |
|
[MAN]B:606 |
5 |
1 |
289 |
cf |
[BMA]B:605 |
x,y,z |
1_555 |
6 |
1 |
294 |
56.8 |
2.6 |
0.242 |
0 |
0 |
0 |
0.000 |
| 40 |
52 |
|
[NAG]C:601 |
7 |
1 |
355 |
cf |
C |
x,y,z |
1_555 |
3 |
1 |
23096 |
55.5 |
1.6 |
0.308 |
0 |
0 |
0 |
0.000 |
| 41 |
53 |
|
[BMA]B:605 |
6 |
1 |
294 |
◊ |
E |
x-1,y,z |
1_455 |
8 |
3 |
23104 |
49.2 |
0.6 |
0.282 |
0 |
0 |
0 |
0.000 |
| 42 |
54 |
|
A |
11 |
3 |
22846 |
◊ |
E |
x-1,y,z |
1_455 |
6 |
3 |
23104 |
43.7 |
-0.9 |
0.377 |
0 |
0 |
0 |
0.000 |
| 43 |
55 |
|
[EDO]D:605 |
1 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
2 |
1 |
23104 |
22.7 |
0.4 |
0.878 |
0 |
0 |
0 |
0.000 |
| 44 |
56 |
|
[K]D:606 |
1 |
1 |
216 |
f |
[EDO]D:603 |
x,y,z |
1_555 |
1 |
1 |
185 |
22.6 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.064 |
57 |
|
[K]A:607 |
1 |
1 |
216 |
f |
[EDO]A:606 |
x,y,z |
1_555 |
2 |
1 |
182 |
19.5 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.064 |
| Average: |
21.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.064 |
| 45 |
58 |
|
[EDO]F:603 |
2 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
23089 |
17.6 |
0.4 |
0.872 |
0 |
0 |
0 |
0.000 |
| 46 |
59 |
|
[EDO]E:604 |
2 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
22833 |
17.5 |
0.3 |
0.856 |
0 |
0 |
0 |
0.000 |
| 47 |
60 |
|
[EDO]C:605 |
1 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
22846 |
8.9 |
0.1 |
0.822 |
0 |
0 |
0 |
0.000 |
| 48 |
61 |
|
[MAN]B:606 |
1 |
1 |
289 |
f |
[NAG]B:604 |
x,y,z |
1_555 |
1 |
1 |
354 |
4.4 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
| 49 |
62 |
|
D |
2 |
2 |
23089 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
22705 |
4.1 |
0.1 |
0.727 |
0 |
0 |
0 |
0.000 |
| 50 |
63 |
|
[NA]E:605 |
1 |
1 |
125 |
f |
[EDO]E:603 |
x,y,z |
1_555 |
1 |
1 |
186 |
2.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.014 |
| 51 |
64 |
|
[BMA]B:605 |
1 |
1 |
294 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
22846 |
0.6 |
-0.0 |
0.317 |
0 |
0 |
0 |
0.000 |
|