## |
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 |
|
H |
171 |
45 |
8148 |
◊ |
D |
x,y,z |
1_555 |
202 |
58 |
27486 |
1733.9 |
-14.1 |
0.634 |
18 |
5 |
0 |
0.341 |
2 |
|
F |
166 |
42 |
8261 |
◊ |
C |
x,y,z |
1_555 |
178 |
56 |
26916 |
1664.6 |
-11.4 |
0.495 |
21 |
6 |
0 |
0.341 |
3 |
|
G |
163 |
40 |
8542 |
◊ |
B |
x,y,z |
1_555 |
187 |
56 |
27356 |
1632.1 |
-12.3 |
0.535 |
17 |
5 |
0 |
0.341 |
4 |
|
E |
158 |
40 |
8433 |
◊ |
A |
x,y,z |
1_555 |
192 |
57 |
27745 |
1609.7 |
-9.9 |
0.539 |
16 |
6 |
0 |
0.341 |
Average: |
1660.1 |
-11.9 |
0.551 |
18 |
6 |
0 |
0.341 |
2 |
5 |
|
D |
137 |
36 |
27486 |
◊ |
A |
x,y,z |
1_555 |
147 |
38 |
27745 |
1534.5 |
-18.3 |
0.215 |
11 |
5 |
0 |
1.000 |
6 |
|
C |
143 |
37 |
26916 |
◊ |
B |
x,y,z |
1_555 |
154 |
40 |
27356 |
1518.6 |
-17.8 |
0.309 |
14 |
12 |
0 |
1.000 |
Average: |
1526.5 |
-18.0 |
0.262 |
13 |
9 |
0 |
1.000 |
3 |
7 |
|
D |
95 |
33 |
27486 |
◊ |
A |
x,y-1,z |
1_545 |
91 |
28 |
27745 |
806.3 |
-8.5 |
0.481 |
3 |
0 |
0 |
0.000 |
8 |
|
B |
80 |
26 |
27356 |
◊ |
C |
x,y-1,z |
1_545 |
80 |
28 |
26916 |
769.6 |
-12.2 |
0.196 |
3 |
0 |
0 |
0.000 |
Average: |
787.9 |
-10.4 |
0.339 |
3 |
0 |
0 |
0.000 |
4 |
9 |
|
[GDP]F:201 |
28 |
1 |
571 |
f |
F |
x,y,z |
1_555 |
62 |
24 |
8261 |
353.4 |
-7.6 |
0.546 |
16 |
0 |
0 |
0.255 |
10 |
|
[GDP]H:201 |
28 |
1 |
568 |
f |
H |
x,y,z |
1_555 |
60 |
25 |
8148 |
346.8 |
-7.0 |
0.609 |
18 |
0 |
0 |
0.255 |
11 |
|
[GDP]E:201 |
28 |
1 |
573 |
f |
E |
x,y,z |
1_555 |
58 |
25 |
8433 |
346.0 |
-7.4 |
0.493 |
21 |
0 |
0 |
0.255 |
12 |
|
[GDP]G:201 |
28 |
1 |
565 |
f |
G |
x,y,z |
1_555 |
59 |
25 |
8542 |
344.5 |
-6.9 |
0.503 |
16 |
0 |
0 |
0.255 |
Average: |
347.7 |
-7.2 |
0.538 |
18 |
0 |
0 |
0.255 |
5 |
13 |
|
E |
28 |
6 |
8433 |
◊ |
C |
x-1,y,z-1 |
1_454 |
24 |
8 |
26916 |
243.7 |
-1.7 |
0.501 |
2 |
0 |
0 |
0.000 |
6 |
14 |
|
A |
22 |
10 |
27745 |
x |
A |
x-1,y,z |
1_455 |
22 |
10 |
27745 |
239.0 |
-2.0 |
0.473 |
2 |
0 |
0 |
0.000 |
15 |
|
B |
18 |
7 |
27356 |
x |
B |
x-1,y,z |
1_455 |
24 |
8 |
27356 |
201.6 |
-3.4 |
0.311 |
0 |
0 |
0 |
0.000 |
Average: |
220.3 |
-2.7 |
0.392 |
1 |
0 |
0 |
0.000 |
7 |
16 |
|
D |
19 |
4 |
27486 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
27356 |
152.3 |
1.5 |
0.859 |
2 |
2 |
0 |
0.000 |
17 |
|
A |
12 |
5 |
27745 |
◊ |
C |
x-1,y,z |
1_455 |
15 |
6 |
26916 |
95.7 |
0.6 |
0.725 |
1 |
0 |
0 |
0.000 |
Average: |
124.0 |
1.0 |
0.792 |
2 |
1 |
0 |
0.000 |
8 |
18 |
|
A |
11 |
5 |
27745 |
◊ |
G |
x-1,y+1,z-1 |
1_464 |
13 |
4 |
8542 |
116.0 |
-0.1 |
0.659 |
0 |
0 |
0 |
0.000 |
9 |
19 |
|
G |
14 |
3 |
8542 |
◊ |
C |
x,y-1,z |
1_545 |
7 |
5 |
26916 |
97.3 |
-0.9 |
0.374 |
0 |
0 |
0 |
0.000 |
20 |
|
B |
7 |
5 |
27356 |
◊ |
F |
x,y-1,z |
1_545 |
14 |
4 |
8261 |
93.5 |
-0.5 |
0.407 |
0 |
0 |
0 |
0.000 |
21 |
|
D |
6 |
3 |
27486 |
◊ |
E |
x,y-1,z |
1_545 |
12 |
5 |
8433 |
80.4 |
-1.9 |
0.183 |
0 |
0 |
0 |
0.000 |
22 |
|
H |
13 |
5 |
8148 |
◊ |
A |
x,y-1,z |
1_545 |
5 |
3 |
27745 |
66.6 |
-1.5 |
0.217 |
0 |
0 |
0 |
0.000 |
Average: |
84.4 |
-1.2 |
0.295 |
0 |
0 |
0 |
0.000 |
10 |
23 |
|
D |
9 |
4 |
27486 |
◊ |
F |
x-1,y-1,z |
1_445 |
14 |
6 |
8261 |
96.2 |
-0.3 |
0.594 |
0 |
0 |
0 |
0.000 |
11 |
24 |
|
E |
9 |
3 |
8433 |
◊ |
G |
x-1,y,z-1 |
1_454 |
8 |
3 |
8542 |
80.6 |
0.9 |
0.818 |
0 |
0 |
0 |
0.000 |
12 |
25 |
|
[AF3]E:202 |
4 |
1 |
189 |
f |
E |
x,y,z |
1_555 |
20 |
10 |
8433 |
78.7 |
1.2 |
0.639 |
6 |
0 |
0 |
0.012 |
26 |
|
[AF3]F:202 |
4 |
1 |
189 |
f |
F |
x,y,z |
1_555 |
19 |
10 |
8261 |
78.1 |
1.4 |
0.679 |
5 |
0 |
0 |
0.012 |
Average: |
78.4 |
1.3 |
0.659 |
6 |
0 |
0 |
0.012 |
13 |
27 |
|
[AF3]G:202 |
4 |
1 |
188 |
f |
G |
x,y,z |
1_555 |
21 |
10 |
8542 |
78.4 |
1.1 |
0.622 |
6 |
0 |
0 |
0.013 |
28 |
|
[AF3]H:202 |
4 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
18 |
10 |
8148 |
75.4 |
1.3 |
0.688 |
3 |
0 |
0 |
0.013 |
Average: |
76.9 |
1.2 |
0.655 |
5 |
0 |
0 |
0.013 |
14 |
29 |
|
F |
8 |
2 |
8261 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
27356 |
75.3 |
0.8 |
0.585 |
0 |
0 |
0 |
0.002 |
30 |
|
G |
6 |
2 |
8542 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
26916 |
58.7 |
1.2 |
0.847 |
0 |
0 |
0 |
0.002 |
31 |
|
H |
9 |
4 |
8148 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
27745 |
53.5 |
0.4 |
0.723 |
1 |
1 |
0 |
0.002 |
32 |
|
E |
5 |
2 |
8433 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
27486 |
37.0 |
-0.1 |
0.365 |
0 |
0 |
0 |
0.002 |
Average: |
56.1 |
0.6 |
0.630 |
0 |
0 |
0 |
0.002 |
15 |
33 |
|
[GDP]F:201 |
11 |
1 |
571 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
26916 |
62.9 |
0.0 |
0.830 |
2 |
0 |
0 |
0.015 |
34 |
|
[GDP]E:201 |
11 |
1 |
573 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
27745 |
60.0 |
-0.0 |
0.827 |
1 |
0 |
0 |
0.015 |
35 |
|
[GDP]H:201 |
11 |
1 |
568 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
27486 |
59.2 |
0.0 |
0.791 |
1 |
0 |
0 |
0.015 |
36 |
|
[GDP]G:201 |
11 |
1 |
565 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
27356 |
58.1 |
-0.1 |
0.822 |
2 |
0 |
0 |
0.015 |
Average: |
60.0 |
-0.0 |
0.818 |
2 |
0 |
0 |
0.015 |
16 |
37 |
|
H |
7 |
2 |
8148 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
26916 |
52.8 |
0.3 |
0.716 |
0 |
0 |
0 |
0.000 |
38 |
|
D |
4 |
3 |
27486 |
◊ |
F |
x-1,y,z |
1_455 |
8 |
4 |
8261 |
44.6 |
-0.5 |
0.500 |
0 |
0 |
0 |
0.000 |
Average: |
48.7 |
-0.1 |
0.608 |
0 |
0 |
0 |
0.000 |
17 |
39 |
|
A |
7 |
4 |
27745 |
◊ |
C |
x-1,y,z-1 |
1_454 |
3 |
2 |
26916 |
44.4 |
-0.2 |
0.438 |
0 |
0 |
0 |
0.000 |
18 |
40 |
|
[AF3]F:202 |
4 |
1 |
189 |
cf |
[GDP]F:201 |
x,y,z |
1_555 |
5 |
1 |
571 |
40.7 |
-2.3 |
0.359 |
0 |
0 |
0 |
0.022 |
41 |
|
[AF3]E:202 |
4 |
1 |
189 |
f |
[GDP]E:201 |
x,y,z |
1_555 |
7 |
1 |
573 |
39.0 |
-2.3 |
0.430 |
1 |
0 |
0 |
0.022 |
Average: |
39.8 |
-2.3 |
0.394 |
1 |
0 |
0 |
0.022 |
19 |
42 |
|
[AF3]H:202 |
4 |
1 |
187 |
cf |
[GDP]H:201 |
x,y,z |
1_555 |
6 |
1 |
568 |
40.1 |
-2.2 |
0.406 |
1 |
0 |
0 |
0.022 |
43 |
|
[AF3]G:202 |
4 |
1 |
188 |
f |
[GDP]G:201 |
x,y,z |
1_555 |
7 |
1 |
565 |
39.3 |
-2.2 |
0.426 |
1 |
0 |
0 |
0.022 |
Average: |
39.7 |
-2.2 |
0.416 |
1 |
0 |
0 |
0.022 |
20 |
44 |
|
[MG]G:200 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
10 |
5 |
8542 |
32.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.081 |
45 |
|
[MG]E:200 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
8433 |
31.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.081 |
46 |
|
[MG]F:200 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
8261 |
31.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.081 |
47 |
|
[MG]H:200 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
6 |
3 |
8148 |
30.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.081 |
Average: |
31.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.081 |
21 |
48 |
|
[AF3]E:202 |
4 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
27745 |
30.1 |
1.0 |
0.720 |
1 |
0 |
0 |
0.000 |
49 |
|
[AF3]F:202 |
4 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
26916 |
25.6 |
0.9 |
0.722 |
1 |
0 |
0 |
0.000 |
Average: |
27.9 |
0.9 |
0.721 |
1 |
0 |
0 |
0.000 |
22 |
50 |
|
[AF3]G:202 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
27356 |
28.5 |
1.0 |
0.726 |
1 |
0 |
0 |
0.000 |
51 |
|
[AF3]H:202 |
3 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
27486 |
25.5 |
0.7 |
0.348 |
1 |
0 |
0 |
0.000 |
Average: |
27.0 |
0.9 |
0.537 |
1 |
0 |
0 |
0.000 |
23 |
52 |
|
[GDP]F:201 |
4 |
1 |
571 |
f |
[MG]F:200 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.058 |
53 |
|
[GDP]E:201 |
4 |
1 |
573 |
f |
[MG]E:200 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.058 |
54 |
|
[GDP]G:201 |
4 |
1 |
565 |
f |
[MG]G:200 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.058 |
55 |
|
[GDP]H:201 |
4 |
1 |
568 |
f |
[MG]H:200 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.058 |
Average: |
24.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.058 |
24 |
56 |
|
A |
2 |
1 |
27745 |
◊ |
D |
x-1,y+1,z |
1_465 |
2 |
1 |
27486 |
22.8 |
0.2 |
0.405 |
0 |
0 |
0 |
0.000 |
57 |
|
B |
1 |
1 |
27356 |
◊ |
C |
x-1,y-1,z |
1_445 |
1 |
1 |
26916 |
0.6 |
0.0 |
0.679 |
0 |
0 |
0 |
0.000 |
Average: |
11.7 |
0.1 |
0.542 |
0 |
0 |
0 |
0.000 |
25 |
58 |
|
[AF3]E:202 |
3 |
1 |
189 |
f |
[MG]E:200 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.027 |
59 |
|
[AF3]G:202 |
1 |
1 |
188 |
f |
[MG]G:200 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.027 |
60 |
|
[AF3]F:202 |
3 |
1 |
189 |
f |
[MG]F:200 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.027 |
61 |
|
[AF3]H:202 |
1 |
1 |
187 |
f |
[MG]H:200 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
20.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.027 |
26 |
62 |
|
D |
4 |
3 |
27486 |
◊ |
C |
x-1,y-1,z |
1_445 |
3 |
3 |
26916 |
18.1 |
0.9 |
0.901 |
0 |
0 |
0 |
0.000 |
27 |
63 |
|
C |
1 |
1 |
26916 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
27745 |
7.0 |
-0.2 |
0.261 |
0 |
0 |
0 |
0.000 |
64 |
|
D |
2 |
2 |
27486 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
2 |
27356 |
6.7 |
-0.1 |
0.533 |
0 |
0 |
0 |
0.000 |
Average: |
6.9 |
-0.2 |
0.397 |
0 |
0 |
0 |
0.000 |
28 |
65 |
|
[MG]G:200 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
27356 |
4.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
66 |
|
[MG]E:200 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
27745 |
4.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
67 |
|
[MG]F:200 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
26916 |
1.0 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
3.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
|