## |
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 |
134 |
39 |
14988 |
◊ |
E |
x,y,z |
1_555 |
138 |
38 |
14793 |
1291.8 |
-15.5 |
0.054 |
10 |
14 |
0 |
0.511 |
2 |
|
B |
134 |
35 |
14790 |
◊ |
A |
x,y,z |
1_555 |
136 |
36 |
14508 |
1264.7 |
-17.2 |
0.046 |
11 |
12 |
0 |
0.511 |
3 |
|
D |
129 |
33 |
15008 |
◊ |
C |
x,y,z |
1_555 |
137 |
37 |
14996 |
1260.4 |
-18.4 |
0.024 |
11 |
13 |
0 |
0.511 |
4 |
|
H |
132 |
34 |
14519 |
◊ |
G |
x,y,z |
1_555 |
126 |
34 |
15050 |
1248.2 |
-18.9 |
0.020 |
12 |
13 |
0 |
0.511 |
5 |
|
L |
127 |
32 |
14468 |
◊ |
K |
x,y,z |
1_555 |
129 |
33 |
15044 |
1186.0 |
-18.5 |
0.024 |
9 |
11 |
0 |
0.511 |
Average: |
1250.2 |
-17.7 |
0.034 |
11 |
13 |
0 |
0.511 |
2 |
6 |
|
I |
121 |
34 |
12245 |
◊ |
J |
x,y,z |
1_555 |
128 |
33 |
14740 |
1193.4 |
-16.4 |
0.078 |
9 |
11 |
0 |
0.447 |
3 |
7 |
|
[NAP]K:400 |
48 |
1 |
922 |
f |
K |
x,y,z |
1_555 |
91 |
35 |
15044 |
677.2 |
-7.6 |
0.271 |
14 |
0 |
0 |
0.547 |
8 |
|
[NAP]G:400 |
46 |
1 |
900 |
f |
G |
x,y,z |
1_555 |
90 |
35 |
15050 |
667.0 |
-5.9 |
0.327 |
16 |
0 |
0 |
0.547 |
9 |
|
[NAP]H:400 |
48 |
1 |
911 |
f |
H |
x,y,z |
1_555 |
93 |
37 |
14519 |
666.4 |
-6.1 |
0.324 |
17 |
0 |
0 |
0.547 |
10 |
|
[NAP]F:400 |
47 |
1 |
911 |
f |
F |
x,y,z |
1_555 |
85 |
36 |
14988 |
662.6 |
-6.2 |
0.270 |
16 |
0 |
0 |
0.547 |
11 |
|
[NAP]C:400 |
47 |
1 |
909 |
f |
C |
x,y,z |
1_555 |
89 |
37 |
14996 |
661.2 |
-5.4 |
0.355 |
15 |
0 |
0 |
0.547 |
12 |
|
[NAP]B:400 |
48 |
1 |
914 |
f |
B |
x,y,z |
1_555 |
83 |
36 |
14790 |
657.8 |
-6.2 |
0.284 |
16 |
0 |
0 |
0.547 |
13 |
|
[NAP]A:400 |
47 |
1 |
911 |
f |
A |
x,y,z |
1_555 |
88 |
36 |
14508 |
656.0 |
-5.9 |
0.348 |
17 |
0 |
0 |
0.547 |
14 |
|
[NAP]D:400 |
47 |
1 |
901 |
f |
D |
x,y,z |
1_555 |
87 |
36 |
15008 |
654.3 |
-6.3 |
0.211 |
12 |
0 |
0 |
0.547 |
15 |
|
[NAP]L:400 |
48 |
1 |
911 |
f |
L |
x,y,z |
1_555 |
89 |
37 |
14468 |
653.8 |
-5.5 |
0.329 |
15 |
0 |
0 |
0.547 |
16 |
|
[NAP]E:400 |
46 |
1 |
898 |
f |
E |
x,y,z |
1_555 |
91 |
34 |
14793 |
653.7 |
-6.3 |
0.323 |
17 |
0 |
0 |
0.547 |
17 |
|
[NAP]J:400 |
47 |
1 |
902 |
f |
J |
x,y,z |
1_555 |
88 |
35 |
14740 |
652.1 |
-6.2 |
0.304 |
17 |
0 |
0 |
0.547 |
Average: |
660.2 |
-6.1 |
0.304 |
16 |
0 |
0 |
0.547 |
4 |
18 |
|
[NAP]I:400 |
48 |
1 |
912 |
f |
I |
x,y,z |
1_555 |
82 |
35 |
12245 |
664.0 |
-6.5 |
0.372 |
15 |
0 |
0 |
0.267 |
5 |
19 |
|
E |
72 |
25 |
14793 |
◊ |
D |
x,y,z |
1_555 |
72 |
25 |
15008 |
630.9 |
-0.8 |
0.612 |
8 |
3 |
0 |
0.000 |
20 |
|
J |
68 |
25 |
14740 |
◊ |
G |
x,y,z |
1_555 |
71 |
25 |
15050 |
622.9 |
-1.7 |
0.552 |
7 |
2 |
0 |
0.000 |
21 |
|
L |
58 |
21 |
14468 |
◊ |
A |
x,y,z |
1_555 |
62 |
22 |
14508 |
500.0 |
-1.6 |
0.574 |
3 |
0 |
0 |
0.000 |
Average: |
584.6 |
-1.4 |
0.580 |
6 |
2 |
0 |
0.000 |
6 |
22 |
|
L |
62 |
21 |
14468 |
◊ |
J |
x,y,z |
1_555 |
61 |
22 |
14740 |
607.5 |
6.1 |
0.941 |
15 |
3 |
0 |
0.000 |
23 |
|
E |
58 |
20 |
14793 |
◊ |
A |
x,y,z |
1_555 |
64 |
22 |
14508 |
598.5 |
6.9 |
0.958 |
14 |
3 |
0 |
0.000 |
24 |
|
G |
64 |
21 |
15050 |
◊ |
D |
x,y,z |
1_555 |
63 |
23 |
15008 |
594.4 |
5.6 |
0.915 |
12 |
2 |
0 |
0.000 |
Average: |
600.1 |
6.2 |
0.938 |
14 |
3 |
0 |
0.000 |
7 |
25 |
|
C |
64 |
21 |
14996 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
76 |
25 |
14793 |
602.3 |
-0.6 |
0.610 |
11 |
3 |
0 |
0.000 |
26 |
|
K |
58 |
19 |
15044 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
62 |
20 |
14508 |
524.1 |
-2.4 |
0.509 |
7 |
2 |
0 |
0.000 |
Average: |
563.2 |
-1.5 |
0.560 |
9 |
3 |
0 |
0.000 |
8 |
27 |
|
A |
62 |
25 |
14508 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
61 |
23 |
14793 |
566.9 |
-3.7 |
0.403 |
6 |
1 |
0 |
0.000 |
9 |
28 |
|
H |
56 |
17 |
14519 |
◊ |
D |
x,y,z |
1_555 |
53 |
19 |
15008 |
483.6 |
-3.8 |
0.340 |
2 |
1 |
0 |
0.000 |
29 |
|
E |
48 |
18 |
14793 |
◊ |
B |
x,y,z |
1_555 |
53 |
16 |
14790 |
461.7 |
-4.1 |
0.303 |
1 |
1 |
0 |
0.000 |
Average: |
472.6 |
-3.9 |
0.322 |
2 |
1 |
0 |
0.000 |
10 |
30 |
|
G |
52 |
18 |
15050 |
◊ |
C |
x,y,z |
1_555 |
53 |
17 |
14996 |
441.5 |
-4.8 |
0.280 |
2 |
1 |
0 |
0.000 |
31 |
|
K |
39 |
11 |
15044 |
◊ |
J |
x,y,z |
1_555 |
33 |
13 |
14740 |
317.7 |
-1.2 |
0.528 |
1 |
0 |
0 |
0.000 |
Average: |
379.6 |
-3.0 |
0.404 |
2 |
1 |
0 |
0.000 |
11 |
32 |
|
I |
42 |
12 |
12245 |
◊ |
L |
x,y,z |
1_555 |
45 |
14 |
14468 |
390.1 |
-1.7 |
0.559 |
3 |
0 |
0 |
0.000 |
12 |
33 |
|
I |
33 |
8 |
12245 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
37 |
12 |
14790 |
334.8 |
-0.5 |
0.638 |
5 |
4 |
0 |
0.000 |
13 |
34 |
|
H |
31 |
8 |
14519 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
30 |
9 |
14988 |
305.6 |
-1.1 |
0.504 |
2 |
2 |
0 |
0.000 |
14 |
35 |
|
L |
25 |
7 |
14468 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
34 |
10 |
14790 |
260.4 |
-0.6 |
0.566 |
1 |
4 |
0 |
0.000 |
15 |
36 |
|
B |
32 |
7 |
14790 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
25 |
8 |
14519 |
236.3 |
-1.2 |
0.507 |
2 |
0 |
0 |
0.000 |
16 |
37 |
|
G |
25 |
6 |
15050 |
◊ |
E |
x,y,z |
1_555 |
19 |
6 |
14793 |
191.9 |
2.1 |
0.814 |
1 |
3 |
0 |
0.000 |
38 |
|
J |
16 |
5 |
14740 |
◊ |
D |
x,y,z |
1_555 |
18 |
7 |
15008 |
153.9 |
3.1 |
0.839 |
2 |
1 |
0 |
0.000 |
39 |
|
D |
18 |
5 |
15008 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
14508 |
141.9 |
2.2 |
0.849 |
3 |
2 |
0 |
0.000 |
40 |
|
J |
15 |
6 |
14740 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
14508 |
130.3 |
1.1 |
0.771 |
1 |
1 |
0 |
0.000 |
Average: |
154.5 |
2.1 |
0.818 |
2 |
2 |
0 |
0.000 |
17 |
41 |
|
D |
21 |
7 |
15008 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
14790 |
174.2 |
-0.1 |
0.592 |
1 |
0 |
0 |
0.000 |
42 |
|
H |
15 |
4 |
14519 |
◊ |
E |
x,y,z |
1_555 |
16 |
5 |
14793 |
130.9 |
-0.3 |
0.576 |
1 |
0 |
0 |
0.000 |
43 |
|
J |
12 |
3 |
14740 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
14996 |
94.9 |
-0.0 |
0.565 |
1 |
0 |
0 |
0.000 |
Average: |
133.3 |
-0.1 |
0.578 |
1 |
0 |
0 |
0.000 |
18 |
44 |
|
G |
17 |
6 |
15050 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
16 |
3 |
14793 |
154.9 |
-0.7 |
0.502 |
1 |
1 |
0 |
0.000 |
45 |
|
J |
7 |
2 |
14740 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
3 |
14508 |
60.0 |
-0.6 |
0.393 |
0 |
0 |
0 |
0.000 |
Average: |
107.5 |
-0.6 |
0.447 |
1 |
1 |
0 |
0.000 |
19 |
46 |
|
C |
19 |
8 |
14996 |
◊ |
G |
-x,y-1/2,-z-1/2 |
3_544 |
16 |
6 |
15050 |
151.2 |
-0.2 |
0.610 |
0 |
0 |
0 |
0.000 |
20 |
47 |
|
F |
16 |
5 |
14988 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
15 |
6 |
14790 |
149.5 |
0.1 |
0.551 |
3 |
1 |
0 |
0.000 |
21 |
48 |
|
C |
17 |
5 |
14996 |
◊ |
H |
-x,y-1/2,-z-1/2 |
3_544 |
20 |
8 |
14519 |
145.2 |
-1.1 |
0.461 |
2 |
0 |
0 |
0.000 |
22 |
49 |
|
F |
13 |
5 |
14988 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
14508 |
137.5 |
-1.3 |
0.361 |
1 |
0 |
0 |
0.000 |
23 |
50 |
|
L |
14 |
3 |
14468 |
◊ |
E |
x,y,z |
1_555 |
17 |
5 |
14793 |
124.4 |
1.5 |
0.759 |
4 |
2 |
0 |
0.000 |
51 |
|
L |
4 |
2 |
14468 |
◊ |
G |
x,y,z |
1_555 |
2 |
2 |
15050 |
25.5 |
0.7 |
0.706 |
0 |
0 |
0 |
0.000 |
Average: |
74.9 |
1.1 |
0.732 |
2 |
1 |
0 |
0.000 |
24 |
52 |
|
L |
13 |
5 |
14468 |
◊ |
F |
x,y,z |
1_555 |
12 |
4 |
14988 |
116.8 |
-1.1 |
0.402 |
1 |
1 |
0 |
0.000 |
25 |
53 |
|
F |
9 |
3 |
14988 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
9 |
5 |
15008 |
72.4 |
-1.2 |
0.274 |
0 |
0 |
0 |
0.000 |
26 |
54 |
|
A |
6 |
2 |
14508 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
14519 |
69.2 |
-0.3 |
0.522 |
0 |
0 |
0 |
0.000 |
27 |
55 |
|
K |
9 |
4 |
15044 |
◊ |
J |
-x-1/2,-y,z-1/2 |
2_454 |
7 |
3 |
14740 |
47.0 |
0.7 |
0.747 |
0 |
0 |
0 |
0.000 |
28 |
56 |
|
[NAP]F:400 |
3 |
1 |
911 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
14793 |
30.4 |
-0.2 |
0.332 |
0 |
0 |
0 |
0.009 |
57 |
|
[NAP]D:400 |
3 |
1 |
901 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
14996 |
29.6 |
-0.2 |
0.270 |
0 |
0 |
0 |
0.009 |
58 |
|
[NAP]C:400 |
3 |
1 |
909 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
15008 |
29.5 |
-0.2 |
0.266 |
0 |
0 |
0 |
0.009 |
59 |
|
[NAP]B:400 |
3 |
1 |
914 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14508 |
28.9 |
-0.2 |
0.285 |
0 |
0 |
0 |
0.009 |
60 |
|
[NAP]K:400 |
3 |
1 |
922 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
14468 |
28.4 |
-0.2 |
0.280 |
0 |
0 |
0 |
0.009 |
61 |
|
[NAP]H:400 |
2 |
1 |
911 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
15050 |
27.8 |
-0.1 |
0.311 |
0 |
0 |
0 |
0.009 |
62 |
|
[NAP]G:400 |
3 |
1 |
900 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
14519 |
27.7 |
-0.2 |
0.286 |
0 |
0 |
0 |
0.009 |
63 |
|
[NAP]L:400 |
2 |
1 |
911 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
15044 |
26.4 |
-0.1 |
0.321 |
0 |
0 |
0 |
0.009 |
64 |
|
[NAP]A:400 |
2 |
1 |
911 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14790 |
25.6 |
-0.2 |
0.321 |
0 |
0 |
0 |
0.009 |
65 |
|
[NAP]E:400 |
2 |
1 |
898 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
14988 |
25.2 |
-0.2 |
0.316 |
0 |
0 |
0 |
0.009 |
66 |
|
[NAP]I:400 |
2 |
1 |
912 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
14740 |
23.0 |
-0.1 |
0.416 |
0 |
0 |
0 |
0.009 |
Average: |
27.5 |
-0.2 |
0.309 |
0 |
0 |
0 |
0.009 |
29 |
67 |
|
K |
3 |
2 |
15044 |
◊ |
[NAP]A:400 |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
911 |
29.4 |
0.1 |
0.413 |
0 |
0 |
0 |
0.000 |
68 |
|
C |
4 |
3 |
14996 |
◊ |
[NAP]E:400 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
898 |
28.4 |
-0.0 |
0.438 |
0 |
0 |
0 |
0.000 |
Average: |
28.9 |
0.0 |
0.426 |
0 |
0 |
0 |
0.000 |
30 |
69 |
|
[NAP]J:400 |
3 |
1 |
902 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
12245 |
28.9 |
-0.2 |
0.306 |
0 |
0 |
0 |
0.005 |
31 |
70 |
|
C |
5 |
3 |
14996 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
3 |
14988 |
22.5 |
-0.1 |
0.569 |
0 |
0 |
0 |
0.000 |
71 |
|
K |
2 |
2 |
15044 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
14790 |
16.4 |
-0.2 |
0.411 |
0 |
0 |
0 |
0.000 |
Average: |
19.4 |
-0.2 |
0.490 |
0 |
0 |
0 |
0.000 |
32 |
72 |
|
F |
2 |
1 |
14988 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
14519 |
20.3 |
0.5 |
0.825 |
0 |
0 |
0 |
0.000 |
33 |
73 |
|
K |
1 |
1 |
15044 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
15050 |
12.6 |
0.3 |
0.762 |
0 |
0 |
0 |
0.000 |
34 |
74 |
|
K |
1 |
1 |
15044 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
15008 |
4.6 |
0.2 |
0.799 |
0 |
0 |
0 |
0.000 |
35 |
75 |
|
A |
1 |
1 |
14508 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
14790 |
2.7 |
0.1 |
0.745 |
0 |
0 |
0 |
0.000 |
36 |
76 |
|
G |
2 |
1 |
15050 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
2 |
14988 |
2.5 |
-0.0 |
0.616 |
0 |
0 |
0 |
0.000 |
37 |
77 |
|
J |
1 |
1 |
14740 |
◊ |
H |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
14519 |
2.5 |
0.1 |
0.752 |
0 |
0 |
0 |
0.000 |
|