## |
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 |
|
N |
832 |
213 |
70404 |
◊ |
M |
x,y,z |
1_555 |
810 |
200 |
54274 |
7936.4 |
-87.5 |
0.002 |
79 |
33 |
0 |
0.731 |
2 |
2 |
|
I |
823 |
216 |
70438 |
◊ |
H |
x,y,z |
1_555 |
792 |
189 |
55245 |
7827.9 |
-95.5 |
0.000 |
71 |
17 |
0 |
0.952 |
3 |
|
D |
803 |
209 |
71739 |
◊ |
C |
x,y,z |
1_555 |
784 |
187 |
55285 |
7507.5 |
-88.0 |
0.002 |
66 |
13 |
0 |
0.952 |
Average: |
7667.7 |
-91.8 |
0.001 |
69 |
15 |
0 |
0.952 |
3 |
4 |
|
J |
226 |
59 |
6993 |
◊ |
I |
x,y,z |
1_555 |
220 |
60 |
70438 |
2191.7 |
-18.3 |
0.311 |
25 |
5 |
0 |
0.822 |
5 |
|
O |
216 |
58 |
6968 |
◊ |
N |
x,y,z |
1_555 |
215 |
60 |
70404 |
2150.1 |
-18.6 |
0.305 |
29 |
6 |
0 |
0.822 |
6 |
|
E |
212 |
59 |
7107 |
◊ |
D |
x,y,z |
1_555 |
218 |
60 |
71739 |
2144.7 |
-18.6 |
0.245 |
22 |
6 |
0 |
0.822 |
Average: |
2162.2 |
-18.5 |
0.287 |
25 |
6 |
0 |
0.822 |
4 |
7 |
|
X |
214 |
63 |
10645 |
◊ |
D |
x,y,z |
1_555 |
260 |
78 |
71739 |
2170.1 |
-5.7 |
0.645 |
18 |
8 |
0 |
0.624 |
8 |
|
Y |
207 |
63 |
10645 |
◊ |
I |
x,y,z |
1_555 |
219 |
69 |
70438 |
1977.1 |
-4.6 |
0.649 |
15 |
7 |
0 |
0.624 |
Average: |
2073.6 |
-5.1 |
0.647 |
17 |
8 |
0 |
0.624 |
5 |
9 |
|
C |
219 |
61 |
55285 |
◊ |
A |
x,y,z |
1_555 |
212 |
61 |
13128 |
1922.4 |
-4.5 |
0.770 |
22 |
8 |
0 |
1.000 |
10 |
|
H |
221 |
63 |
55245 |
◊ |
F |
x,y,z |
1_555 |
206 |
58 |
13313 |
1895.0 |
-1.4 |
0.844 |
18 |
11 |
0 |
1.000 |
11 |
|
M |
228 |
63 |
54274 |
◊ |
K |
x,y,z |
1_555 |
204 |
59 |
13510 |
1886.2 |
-9.6 |
0.476 |
16 |
8 |
0 |
1.000 |
Average: |
1901.2 |
-5.2 |
0.697 |
19 |
9 |
0 |
1.000 |
6 |
12 |
|
Z |
183 |
51 |
10530 |
◊ |
N |
x,y,z |
1_555 |
195 |
63 |
70404 |
1766.6 |
-2.0 |
0.710 |
18 |
11 |
0 |
0.020 |
7 |
13 |
|
L |
158 |
42 |
13475 |
◊ |
K |
x,y,z |
1_555 |
155 |
41 |
13510 |
1559.2 |
-27.0 |
0.013 |
6 |
0 |
0 |
1.000 |
14 |
|
B |
146 |
43 |
13672 |
◊ |
A |
x,y,z |
1_555 |
152 |
40 |
13128 |
1473.3 |
-25.1 |
0.027 |
6 |
1 |
0 |
1.000 |
15 |
|
G |
143 |
41 |
13327 |
◊ |
F |
x,y,z |
1_555 |
144 |
41 |
13313 |
1469.9 |
-25.1 |
0.014 |
2 |
0 |
0 |
1.000 |
Average: |
1500.8 |
-25.7 |
0.018 |
5 |
0 |
0 |
1.000 |
8 |
16 |
|
I |
146 |
39 |
70438 |
◊ |
G |
x,y,z |
1_555 |
155 |
41 |
13327 |
1377.4 |
-5.6 |
0.572 |
7 |
12 |
0 |
0.235 |
17 |
|
D |
148 |
40 |
71739 |
◊ |
B |
x,y,z |
1_555 |
152 |
41 |
13672 |
1371.5 |
-3.6 |
0.701 |
10 |
11 |
0 |
0.235 |
18 |
|
N |
138 |
37 |
70404 |
◊ |
L |
x,y,z |
1_555 |
151 |
40 |
13475 |
1329.2 |
-5.7 |
0.578 |
16 |
11 |
0 |
0.235 |
Average: |
1359.4 |
-5.0 |
0.617 |
11 |
11 |
0 |
0.235 |
9 |
19 |
|
D |
145 |
42 |
71739 |
◊ |
H |
x,y,z |
1_555 |
146 |
40 |
55245 |
1328.6 |
-10.7 |
0.212 |
7 |
6 |
0 |
0.020 |
20 |
|
C |
142 |
38 |
55285 |
◊ |
N |
-x-1,y-1/2,-z-1 |
2_444 |
133 |
39 |
70404 |
1203.3 |
-8.6 |
0.356 |
8 |
0 |
0 |
0.020 |
Average: |
1266.0 |
-9.7 |
0.284 |
8 |
3 |
0 |
0.020 |
10 |
21 |
|
I |
117 |
36 |
70438 |
◊ |
M |
-x-1,y-1/2,-z |
2_445 |
126 |
35 |
54274 |
1065.0 |
-6.2 |
0.407 |
9 |
3 |
0 |
0.000 |
11 |
22 |
|
Z |
63 |
20 |
10530 |
◊ |
B |
x-1,y,z |
1_455 |
64 |
21 |
13672 |
589.2 |
0.4 |
0.684 |
7 |
0 |
0 |
0.000 |
12 |
23 |
|
H |
56 |
21 |
55245 |
◊ |
Z |
-x-1,y-1/2,-z |
2_445 |
57 |
21 |
10530 |
473.6 |
-1.5 |
0.573 |
1 |
3 |
0 |
0.000 |
13 |
24 |
|
G |
54 |
20 |
13327 |
◊ |
D |
x-1,y,z |
1_455 |
61 |
17 |
71739 |
471.7 |
-0.8 |
0.682 |
2 |
1 |
0 |
0.000 |
14 |
25 |
|
G |
43 |
12 |
13327 |
◊ |
M |
-x-2,y-1/2,-z-1 |
2_344 |
44 |
11 |
54274 |
385.7 |
1.8 |
0.827 |
4 |
1 |
0 |
0.000 |
15 |
26 |
|
N |
35 |
8 |
70404 |
◊ |
B |
x-1,y,z |
1_455 |
31 |
10 |
13672 |
331.3 |
-2.1 |
0.363 |
3 |
1 |
0 |
0.000 |
16 |
27 |
|
I |
40 |
13 |
70438 |
◊ |
C |
x,y,z |
1_555 |
37 |
10 |
55285 |
330.3 |
-0.4 |
0.662 |
2 |
1 |
0 |
0.000 |
17 |
28 |
|
H |
39 |
11 |
55245 |
◊ |
N |
-x-1,y-1/2,-z |
2_445 |
38 |
13 |
70404 |
325.2 |
-2.3 |
0.474 |
3 |
0 |
0 |
0.000 |
18 |
29 |
|
I |
37 |
13 |
70438 |
◊ |
L |
x,y,z |
1_555 |
33 |
14 |
13475 |
300.4 |
0.8 |
0.761 |
0 |
0 |
0 |
0.000 |
19 |
30 |
|
D |
32 |
11 |
71739 |
◊ |
M |
-x-1,y-1/2,-z-1 |
2_444 |
32 |
11 |
54274 |
263.7 |
1.0 |
0.773 |
3 |
3 |
0 |
0.000 |
20 |
31 |
|
C |
36 |
10 |
55285 |
◊ |
B |
x,y,z |
1_555 |
29 |
9 |
13672 |
255.5 |
0.8 |
0.764 |
3 |
3 |
0 |
0.022 |
32 |
|
H |
32 |
11 |
55245 |
◊ |
G |
x,y,z |
1_555 |
29 |
9 |
13327 |
253.1 |
2.9 |
0.895 |
3 |
6 |
0 |
0.022 |
33 |
|
M |
34 |
11 |
54274 |
◊ |
L |
x,y,z |
1_555 |
29 |
9 |
13475 |
250.2 |
2.6 |
0.877 |
5 |
4 |
0 |
0.022 |
Average: |
252.9 |
2.1 |
0.845 |
4 |
4 |
0 |
0.022 |
21 |
34 |
|
Y |
24 |
8 |
10645 |
◊ |
H |
x,y,z |
1_555 |
31 |
11 |
55245 |
252.2 |
0.6 |
0.713 |
0 |
0 |
0 |
0.001 |
35 |
|
X |
28 |
9 |
10645 |
◊ |
C |
x,y,z |
1_555 |
33 |
12 |
55285 |
243.6 |
0.9 |
0.688 |
2 |
2 |
0 |
0.001 |
36 |
|
Z |
21 |
7 |
10530 |
◊ |
M |
x,y,z |
1_555 |
28 |
10 |
54274 |
203.7 |
1.3 |
0.774 |
1 |
0 |
0 |
0.001 |
Average: |
233.2 |
0.9 |
0.725 |
1 |
1 |
0 |
0.001 |
22 |
37 |
|
F |
30 |
10 |
13313 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
24 |
9 |
13128 |
240.7 |
1.0 |
0.708 |
2 |
3 |
0 |
0.000 |
23 |
38 |
|
X |
21 |
11 |
10645 |
◊ |
M |
-x-1,y-1/2,-z-1 |
2_444 |
26 |
11 |
54274 |
220.0 |
-1.8 |
0.319 |
0 |
0 |
0 |
0.000 |
39 |
|
Y |
22 |
8 |
10645 |
◊ |
C |
x,y,z |
1_555 |
18 |
4 |
55285 |
196.3 |
-2.0 |
0.376 |
0 |
2 |
0 |
0.000 |
Average: |
208.2 |
-1.9 |
0.347 |
0 |
1 |
0 |
0.000 |
24 |
40 |
|
N |
21 |
6 |
70404 |
x |
N |
-x-1,y-1/2,-z-1 |
2_444 |
27 |
8 |
70404 |
211.1 |
-0.8 |
0.571 |
3 |
2 |
0 |
0.000 |
25 |
41 |
|
L |
16 |
6 |
13475 |
◊ |
G |
x,y,z |
1_555 |
22 |
7 |
13327 |
170.8 |
-0.6 |
0.463 |
0 |
0 |
0 |
0.000 |
26 |
42 |
|
O |
17 |
5 |
6968 |
◊ |
M |
x,y,z |
1_555 |
19 |
8 |
54274 |
167.4 |
-0.5 |
0.606 |
3 |
0 |
0 |
0.010 |
43 |
|
J |
19 |
4 |
6993 |
◊ |
H |
x,y,z |
1_555 |
18 |
7 |
55245 |
153.0 |
0.0 |
0.702 |
3 |
2 |
0 |
0.010 |
44 |
|
E |
16 |
5 |
7107 |
◊ |
C |
x,y,z |
1_555 |
16 |
8 |
55285 |
141.2 |
-0.3 |
0.548 |
2 |
0 |
0 |
0.010 |
Average: |
153.9 |
-0.3 |
0.619 |
3 |
1 |
0 |
0.010 |
27 |
45 |
|
I |
16 |
5 |
70438 |
◊ |
N |
-x-1,y-1/2,-z |
2_445 |
18 |
6 |
70404 |
158.3 |
-1.5 |
0.385 |
1 |
0 |
0 |
0.000 |
28 |
46 |
|
N |
23 |
6 |
70404 |
◊ |
D |
x-1,y,z |
1_455 |
21 |
6 |
71739 |
153.8 |
-0.1 |
0.643 |
1 |
1 |
0 |
0.000 |
29 |
47 |
|
O |
11 |
4 |
6968 |
◊ |
N |
-x-1,y-1/2,-z-1 |
2_444 |
16 |
6 |
70404 |
109.0 |
0.1 |
0.677 |
1 |
2 |
0 |
0.000 |
30 |
48 |
|
H |
12 |
5 |
55245 |
◊ |
M |
-x-2,y-1/2,-z-1 |
2_344 |
16 |
5 |
54274 |
103.4 |
-0.9 |
0.515 |
0 |
0 |
0 |
0.000 |
31 |
49 |
|
N |
13 |
4 |
70404 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
55285 |
100.9 |
1.4 |
0.757 |
0 |
0 |
0 |
0.000 |
32 |
50 |
|
N |
8 |
3 |
70404 |
◊ |
G |
x,y,z |
1_555 |
10 |
5 |
13327 |
62.6 |
-0.5 |
0.546 |
0 |
0 |
0 |
0.000 |
33 |
51 |
|
D |
6 |
3 |
71739 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
13128 |
62.2 |
-0.4 |
0.565 |
0 |
0 |
0 |
0.002 |
52 |
|
I |
4 |
2 |
70438 |
◊ |
F |
x,y,z |
1_555 |
5 |
1 |
13313 |
49.0 |
0.6 |
0.739 |
1 |
0 |
0 |
0.002 |
53 |
|
N |
8 |
2 |
70404 |
◊ |
K |
x,y,z |
1_555 |
4 |
1 |
13510 |
46.5 |
0.9 |
0.769 |
1 |
0 |
0 |
0.002 |
Average: |
52.6 |
0.4 |
0.691 |
1 |
0 |
0 |
0.002 |
34 |
54 |
|
[MG]D:2002 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
71739 |
49.6 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.362 |
55 |
|
[MG]N:1602 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
8 |
4 |
70404 |
49.6 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.362 |
Average: |
49.6 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.362 |
35 |
56 |
|
[MG]I:1602 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
10 |
4 |
70438 |
49.5 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.178 |
36 |
57 |
|
[ZN]N:1601 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
2 |
2 |
70404 |
49.0 |
-39.0 |
0.000 |
0 |
0 |
0 |
0.636 |
37 |
58 |
|
I |
5 |
1 |
70438 |
◊ |
M |
-x-2,y-1/2,-z-1 |
2_344 |
3 |
1 |
54274 |
25.5 |
0.5 |
0.786 |
1 |
1 |
0 |
0.000 |
38 |
59 |
|
E |
3 |
2 |
7107 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13672 |
19.5 |
0.4 |
0.682 |
0 |
0 |
0 |
0.000 |
60 |
|
J |
1 |
1 |
6993 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
13327 |
12.4 |
0.4 |
0.877 |
0 |
0 |
0 |
0.000 |
61 |
|
O |
3 |
1 |
6968 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
13475 |
8.4 |
0.2 |
0.720 |
0 |
0 |
0 |
0.000 |
Average: |
13.4 |
0.3 |
0.760 |
0 |
0 |
0 |
0.000 |
39 |
62 |
|
F |
1 |
1 |
13313 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
71739 |
17.7 |
1.3 |
0.974 |
0 |
0 |
0 |
0.000 |
40 |
63 |
|
O |
2 |
2 |
6968 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
13510 |
14.5 |
0.4 |
0.781 |
0 |
0 |
0 |
0.000 |
41 |
64 |
|
[MG]I:1602 |
1 |
1 |
98 |
◊ |
Y |
x,y,z |
1_555 |
2 |
1 |
10645 |
9.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.022 |
65 |
|
[MG]D:2002 |
1 |
1 |
98 |
◊ |
X |
x,y,z |
1_555 |
1 |
1 |
10645 |
2.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
6.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.022 |
42 |
66 |
|
[MG]D:2002 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
55285 |
1.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
67 |
|
F |
1 |
1 |
13313 |
◊ |
M |
-x-2,y-1/2,-z-1 |
2_344 |
1 |
1 |
54274 |
1.1 |
-0.0 |
0.638 |
0 |
0 |
0 |
0.000 |
|