| ## |
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 |
118 |
31 |
5387 |
◊ |
C |
x,y,z |
1_555 |
122 |
31 |
5361 |
1172.0 |
-15.0 |
0.234 |
15 |
9 |
0 |
1.000 |
2 |
|
L |
119 |
31 |
5510 |
◊ |
I |
x,y,z |
1_555 |
122 |
31 |
5380 |
1154.0 |
-14.9 |
0.256 |
17 |
10 |
0 |
1.000 |
3 |
|
G |
119 |
27 |
5399 |
◊ |
A |
x,y,z |
1_555 |
112 |
28 |
5193 |
1109.1 |
-12.1 |
0.358 |
15 |
6 |
0 |
1.000 |
4 |
|
E |
115 |
30 |
5413 |
◊ |
D |
x,y,z |
1_555 |
113 |
29 |
5200 |
1092.1 |
-15.0 |
0.201 |
13 |
6 |
0 |
1.000 |
5 |
|
H |
116 |
30 |
5268 |
◊ |
B |
x,y,z |
1_555 |
105 |
30 |
5122 |
1076.9 |
-14.4 |
0.214 |
15 |
7 |
0 |
1.000 |
6 |
|
K |
108 |
27 |
5082 |
◊ |
J |
x,y,z |
1_555 |
113 |
29 |
5353 |
1053.2 |
-15.4 |
0.234 |
11 |
3 |
0 |
1.000 |
| Average: |
1109.5 |
-14.5 |
0.250 |
14 |
7 |
0 |
1.000 |
| 2 |
7 |
|
J |
75 |
21 |
5353 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
73 |
21 |
5387 |
758.9 |
-12.0 |
0.156 |
9 |
0 |
0 |
1.000 |
8 |
|
E |
74 |
21 |
5413 |
◊ |
L |
x-1,y,z-1 |
1_454 |
72 |
21 |
5510 |
756.2 |
-11.6 |
0.137 |
7 |
0 |
0 |
1.000 |
9 |
|
G |
74 |
21 |
5399 |
◊ |
D |
x,y,z |
1_555 |
67 |
21 |
5200 |
736.9 |
-12.1 |
0.138 |
5 |
0 |
0 |
1.000 |
10 |
|
C |
68 |
20 |
5361 |
◊ |
B |
x,y,z |
1_555 |
64 |
19 |
5122 |
688.3 |
-12.2 |
0.096 |
6 |
0 |
0 |
1.000 |
| Average: |
735.1 |
-12.0 |
0.132 |
7 |
0 |
0 |
1.000 |
| 3 |
11 |
|
A |
60 |
18 |
5193 |
◊ |
I |
-x+1,y-1/2,-z+1 |
2_646 |
57 |
15 |
5380 |
580.2 |
-7.7 |
0.326 |
7 |
0 |
0 |
0.972 |
12 |
|
K |
55 |
17 |
5082 |
◊ |
H |
x,y,z |
1_555 |
62 |
16 |
5268 |
552.1 |
-7.2 |
0.300 |
7 |
0 |
0 |
0.972 |
| Average: |
566.1 |
-7.4 |
0.313 |
7 |
0 |
0 |
0.972 |
| 4 |
13 |
|
K |
51 |
15 |
5082 |
◊ |
L |
-x+1,y-1/2,-z+1 |
2_646 |
54 |
15 |
5510 |
479.9 |
-2.9 |
0.629 |
3 |
1 |
0 |
0.007 |
14 |
|
B |
51 |
14 |
5122 |
◊ |
A |
x,y,z |
1_555 |
45 |
14 |
5193 |
422.4 |
-4.9 |
0.461 |
1 |
0 |
0 |
0.007 |
| Average: |
451.1 |
-3.9 |
0.545 |
2 |
1 |
0 |
0.007 |
| 5 |
15 |
|
G |
34 |
13 |
5399 |
◊ |
J |
x-1,y,z |
1_455 |
34 |
14 |
5353 |
307.0 |
-2.5 |
0.540 |
3 |
0 |
0 |
0.000 |
| 6 |
16 |
|
I |
24 |
8 |
5380 |
◊ |
H |
x,y,z |
1_555 |
23 |
10 |
5268 |
200.8 |
-2.8 |
0.409 |
1 |
0 |
0 |
0.000 |
| 7 |
17 |
|
A |
16 |
4 |
5193 |
◊ |
L |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
5 |
5510 |
144.8 |
-2.2 |
0.355 |
0 |
0 |
0 |
0.036 |
18 |
|
K |
16 |
4 |
5082 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
5122 |
137.8 |
-2.1 |
0.379 |
0 |
0 |
0 |
0.036 |
| Average: |
141.3 |
-2.1 |
0.367 |
0 |
0 |
0 |
0.036 |
| 8 |
19 |
|
K |
17 |
6 |
5082 |
◊ |
I |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
3 |
5380 |
137.5 |
-3.2 |
0.099 |
0 |
0 |
0 |
0.001 |
20 |
|
H |
5 |
2 |
5268 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
5193 |
43.1 |
1.1 |
0.842 |
0 |
0 |
0 |
0.001 |
| Average: |
90.3 |
-1.0 |
0.471 |
0 |
0 |
0 |
0.001 |
| 9 |
21 |
|
[MLI]D:100 |
7 |
1 |
224 |
◊ |
D |
x,y,z |
1_555 |
20 |
7 |
5200 |
125.9 |
4.0 |
0.225 |
4 |
0 |
0 |
0.000 |
22 |
|
[MLI]G:100 |
7 |
1 |
222 |
◊ |
G |
x,y,z |
1_555 |
17 |
6 |
5399 |
118.7 |
3.0 |
0.879 |
1 |
0 |
0 |
0.000 |
| Average: |
122.3 |
3.5 |
0.552 |
3 |
0 |
0 |
0.000 |
| 10 |
23 |
|
[MLI]J:101 |
7 |
1 |
222 |
◊ |
J |
x,y,z |
1_555 |
17 |
6 |
5353 |
122.8 |
3.1 |
0.424 |
4 |
0 |
0 |
0.000 |
| 11 |
24 |
|
[MLI]L:101 |
7 |
1 |
222 |
◊ |
L |
x,y,z |
1_555 |
18 |
7 |
5510 |
122.3 |
3.8 |
0.254 |
4 |
0 |
0 |
0.000 |
| 12 |
25 |
|
[MLI]C:100 |
7 |
1 |
223 |
◊ |
C |
x,y,z |
1_555 |
18 |
7 |
5361 |
120.2 |
3.5 |
0.114 |
2 |
0 |
0 |
0.000 |
| 13 |
26 |
|
[MLI]B:101 |
7 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
5122 |
118.9 |
3.6 |
0.091 |
3 |
0 |
0 |
0.000 |
| 14 |
27 |
|
D |
12 |
4 |
5200 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
5193 |
112.8 |
-1.9 |
0.338 |
0 |
0 |
0 |
0.055 |
28 |
|
K |
14 |
4 |
5082 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
13 |
4 |
5387 |
107.4 |
-2.3 |
0.290 |
0 |
0 |
0 |
0.055 |
29 |
|
E |
11 |
4 |
5413 |
◊ |
I |
x-1,y,z-1 |
1_454 |
12 |
4 |
5380 |
105.6 |
-1.3 |
0.416 |
0 |
0 |
0 |
0.055 |
30 |
|
G |
15 |
5 |
5399 |
◊ |
E |
x,y,z |
1_555 |
11 |
3 |
5413 |
104.8 |
-1.4 |
0.406 |
0 |
0 |
0 |
0.055 |
31 |
|
D |
11 |
4 |
5200 |
◊ |
L |
x-1,y,z-1 |
1_454 |
14 |
5 |
5510 |
103.8 |
-1.2 |
0.423 |
0 |
0 |
0 |
0.055 |
32 |
|
H |
12 |
4 |
5268 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
5361 |
101.5 |
-1.7 |
0.327 |
0 |
0 |
0 |
0.055 |
33 |
|
F |
12 |
4 |
5387 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
5122 |
101.4 |
-1.5 |
0.378 |
0 |
0 |
0 |
0.055 |
34 |
|
J |
13 |
5 |
5353 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
11 |
4 |
5361 |
95.7 |
-1.0 |
0.438 |
0 |
0 |
0 |
0.055 |
| Average: |
104.1 |
-1.5 |
0.377 |
0 |
0 |
0 |
0.055 |
| 15 |
35 |
|
I |
9 |
4 |
5380 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
5122 |
107.6 |
2.3 |
0.917 |
4 |
2 |
0 |
0.000 |
| 16 |
36 |
|
[ACT]A:100 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
5193 |
103.1 |
-0.5 |
0.667 |
1 |
0 |
0 |
0.183 |
| 17 |
37 |
|
[ACT]E:100 |
4 |
1 |
182 |
f |
E |
x,y,z |
1_555 |
18 |
6 |
5413 |
103.0 |
-0.4 |
0.665 |
2 |
0 |
0 |
0.243 |
| 18 |
38 |
|
[ACT]F:100 |
4 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
18 |
7 |
5387 |
100.8 |
0.8 |
0.818 |
2 |
0 |
0 |
0.003 |
| 19 |
39 |
|
[ACT]H:100 |
4 |
1 |
182 |
f |
H |
x,y,z |
1_555 |
16 |
6 |
5268 |
95.9 |
-0.5 |
0.647 |
2 |
0 |
0 |
0.250 |
| 20 |
40 |
|
G |
14 |
4 |
5399 |
◊ |
K |
x-1,y,z |
1_455 |
7 |
2 |
5082 |
91.0 |
-2.0 |
0.240 |
0 |
0 |
0 |
0.000 |
| 21 |
41 |
|
J |
9 |
4 |
5353 |
◊ |
L |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
5510 |
86.4 |
2.2 |
0.869 |
1 |
2 |
0 |
0.000 |
42 |
|
G |
10 |
4 |
5399 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
5122 |
78.1 |
1.7 |
0.860 |
2 |
2 |
0 |
0.000 |
| Average: |
82.3 |
2.0 |
0.865 |
2 |
2 |
0 |
0.000 |
| 22 |
43 |
|
I |
6 |
2 |
5380 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
5361 |
70.4 |
2.1 |
0.902 |
3 |
2 |
0 |
0.000 |
| 23 |
44 |
|
F |
10 |
3 |
5387 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
5413 |
64.7 |
0.9 |
0.801 |
1 |
0 |
0 |
0.000 |
| 24 |
45 |
|
C |
8 |
4 |
5361 |
◊ |
L |
x,y,z-1 |
1_554 |
5 |
2 |
5510 |
61.8 |
-0.0 |
0.557 |
0 |
0 |
0 |
0.000 |
| 25 |
46 |
|
G |
7 |
3 |
5399 |
◊ |
I |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
5380 |
56.1 |
-1.5 |
0.230 |
0 |
0 |
0 |
0.022 |
47 |
|
J |
5 |
2 |
5353 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
5268 |
55.6 |
-0.8 |
0.313 |
0 |
0 |
0 |
0.022 |
| Average: |
55.8 |
-1.2 |
0.272 |
0 |
0 |
0 |
0.022 |
| 26 |
48 |
|
A |
7 |
3 |
5193 |
◊ |
J |
x-1,y,z |
1_455 |
6 |
3 |
5353 |
52.7 |
0.0 |
0.600 |
0 |
0 |
0 |
0.000 |
| 27 |
49 |
|
I |
8 |
4 |
5380 |
◊ |
F |
x,y,z |
1_555 |
7 |
4 |
5387 |
51.3 |
-0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
| 28 |
50 |
|
[NA]L:100 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
7 |
3 |
5510 |
49.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.281 |
51 |
|
[NA]C:101 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
5361 |
46.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.281 |
52 |
|
[NA]J:100 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
7 |
3 |
5353 |
43.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.281 |
| Average: |
46.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.281 |
| 29 |
53 |
|
[NA]I:100 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
10 |
3 |
5380 |
48.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.372 |
| 30 |
54 |
|
[MLI]J:101 |
5 |
1 |
222 |
f |
K |
x,y,z |
1_555 |
9 |
3 |
5082 |
48.4 |
0.7 |
0.828 |
1 |
0 |
0 |
0.000 |
| 31 |
55 |
|
E |
4 |
3 |
5413 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
5122 |
46.0 |
-0.4 |
0.505 |
0 |
0 |
0 |
0.000 |
| 32 |
56 |
|
[MLI]G:100 |
5 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
5 |
1 |
5193 |
45.7 |
0.9 |
0.801 |
1 |
0 |
0 |
0.000 |
| 33 |
57 |
|
[NA]C:101 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
9 |
3 |
5268 |
44.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.088 |
58 |
|
[NA]J:100 |
1 |
1 |
125 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
8 |
3 |
5361 |
43.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.088 |
59 |
|
D |
9 |
3 |
5200 |
◊ |
[NA]L:100 |
x-1,y,z-1 |
1_454 |
1 |
1 |
125 |
42.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.088 |
| Average: |
43.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.088 |
| 34 |
60 |
|
[MLI]D:100 |
5 |
1 |
224 |
f |
E |
x,y,z |
1_555 |
5 |
1 |
5413 |
43.3 |
0.7 |
0.819 |
0 |
0 |
0 |
0.000 |
| 35 |
61 |
|
[MLI]B:101 |
5 |
1 |
220 |
f |
H |
x,y,z |
1_555 |
5 |
1 |
5268 |
42.2 |
0.8 |
0.726 |
0 |
0 |
0 |
0.000 |
| 36 |
62 |
|
[MLI]C:100 |
5 |
1 |
223 |
f |
F |
x,y,z |
1_555 |
6 |
2 |
5387 |
40.9 |
0.7 |
0.746 |
0 |
0 |
0 |
0.000 |
| 37 |
63 |
|
[MLI]L:101 |
6 |
1 |
222 |
f |
I |
x,y,z |
1_555 |
5 |
1 |
5380 |
40.6 |
0.8 |
0.788 |
0 |
0 |
0 |
0.000 |
| 38 |
64 |
|
D |
6 |
3 |
5200 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
5122 |
39.1 |
1.0 |
0.837 |
0 |
0 |
0 |
0.000 |
65 |
|
F |
3 |
2 |
5387 |
◊ |
L |
x,y,z-1 |
1_554 |
3 |
2 |
5510 |
21.4 |
0.5 |
0.786 |
0 |
0 |
0 |
0.000 |
| Average: |
30.3 |
0.8 |
0.811 |
0 |
0 |
0 |
0.000 |
| 39 |
66 |
|
[ACT]F:100 |
3 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
5 |
1 |
5361 |
34.2 |
-0.8 |
0.541 |
0 |
0 |
0 |
0.036 |
| 40 |
67 |
|
[ACT]H:100 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
5122 |
32.9 |
-0.4 |
0.647 |
0 |
0 |
0 |
0.020 |
| 41 |
68 |
|
K |
5 |
3 |
5082 |
◊ |
[NA]I:100 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
125 |
32.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.002 |
| 42 |
69 |
|
[ACT]E:100 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
5200 |
29.2 |
-0.0 |
0.664 |
0 |
0 |
0 |
0.002 |
| 43 |
70 |
|
[NA]I:100 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
6 |
3 |
5510 |
28.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.092 |
| 44 |
71 |
|
[ACT]A:100 |
3 |
1 |
183 |
◊ |
G |
x,y,z |
1_555 |
5 |
1 |
5399 |
27.5 |
-0.0 |
0.619 |
0 |
0 |
0 |
0.002 |
| 45 |
72 |
|
[NA]J:100 |
1 |
1 |
125 |
◊ |
L |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
5510 |
20.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 46 |
73 |
|
D |
4 |
2 |
5200 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
2 |
5361 |
16.8 |
0.0 |
0.662 |
0 |
0 |
0 |
0.000 |
| 47 |
74 |
|
L |
2 |
1 |
5510 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
5268 |
15.5 |
0.6 |
0.795 |
0 |
0 |
0 |
0.000 |
| 48 |
75 |
|
K |
2 |
1 |
5082 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
5399 |
14.2 |
0.4 |
0.795 |
0 |
0 |
0 |
0.000 |
76 |
|
J |
2 |
1 |
5353 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
5193 |
5.0 |
0.1 |
0.710 |
0 |
0 |
0 |
0.000 |
| Average: |
9.6 |
0.2 |
0.752 |
0 |
0 |
0 |
0.000 |
| 49 |
77 |
|
G |
2 |
1 |
5399 |
◊ |
H |
x-1,y,z |
1_455 |
1 |
1 |
5268 |
13.7 |
0.3 |
0.615 |
0 |
0 |
0 |
0.000 |
| 50 |
78 |
|
J |
2 |
1 |
5353 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
5413 |
7.7 |
0.2 |
0.783 |
0 |
0 |
0 |
0.000 |
| 51 |
79 |
|
K |
1 |
1 |
5082 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
5193 |
4.1 |
-0.0 |
0.671 |
0 |
0 |
0 |
0.000 |
| 52 |
80 |
|
[NA]C:101 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
5380 |
2.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 53 |
81 |
|
J |
1 |
1 |
5353 |
◊ |
L |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
5510 |
2.0 |
0.1 |
0.780 |
0 |
0 |
0 |
0.000 |
|