## |
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 |
|
[NAP]D:401 |
48 |
1 |
943 |
f |
D |
x,y,z |
1_555 |
75 |
28 |
8914 |
629.1 |
-4.6 |
0.419 |
15 |
0 |
0 |
0.063 |
2 |
|
[NAP]B:401 |
48 |
1 |
925 |
f |
B |
x,y,z |
1_555 |
77 |
30 |
8908 |
626.1 |
-4.3 |
0.498 |
18 |
0 |
0 |
0.063 |
3 |
|
[NAP]A:401 |
48 |
1 |
907 |
f |
A |
x,y,z |
1_555 |
86 |
31 |
8744 |
625.1 |
-3.7 |
0.533 |
19 |
0 |
0 |
0.063 |
4 |
|
[NAP]C:401 |
48 |
1 |
922 |
f |
C |
x,y,z |
1_555 |
82 |
31 |
8906 |
624.4 |
-4.3 |
0.473 |
20 |
0 |
0 |
0.063 |
Average: |
626.2 |
-4.2 |
0.481 |
18 |
0 |
0 |
0.063 |
2 |
5 |
|
[06U]D:402 |
28 |
1 |
605 |
f |
D |
x,y,z |
1_555 |
62 |
23 |
8914 |
436.1 |
-6.6 |
0.266 |
5 |
0 |
0 |
0.045 |
6 |
|
[06U]A:402 |
28 |
1 |
627 |
f |
A |
x,y,z |
1_555 |
58 |
24 |
8744 |
432.8 |
-5.9 |
0.309 |
6 |
0 |
0 |
0.045 |
Average: |
434.4 |
-6.3 |
0.288 |
6 |
0 |
0 |
0.045 |
3 |
7 |
|
[06U]C:402 |
28 |
1 |
618 |
f |
C |
x,y,z |
1_555 |
53 |
19 |
8906 |
416.7 |
-4.3 |
0.361 |
7 |
0 |
0 |
0.019 |
4 |
8 |
|
[06U]B:402 |
28 |
1 |
611 |
f |
B |
x,y,z |
1_555 |
63 |
23 |
8908 |
415.6 |
-5.8 |
0.311 |
7 |
0 |
0 |
0.037 |
5 |
9 |
|
C |
46 |
13 |
8906 |
◊ |
D |
x-1,y,z |
1_455 |
40 |
13 |
8914 |
384.6 |
0.4 |
0.718 |
3 |
3 |
0 |
0.000 |
10 |
|
B |
28 |
10 |
8908 |
◊ |
A |
x,y,z |
1_555 |
40 |
12 |
8744 |
297.1 |
-1.0 |
0.562 |
1 |
2 |
0 |
0.000 |
Average: |
340.8 |
-0.3 |
0.640 |
2 |
3 |
0 |
0.000 |
6 |
11 |
|
A |
32 |
9 |
8744 |
◊ |
B |
x-1,y,z |
1_455 |
33 |
9 |
8908 |
305.1 |
-3.0 |
0.331 |
3 |
2 |
0 |
0.000 |
12 |
|
D |
38 |
10 |
8914 |
◊ |
C |
x,y,z |
1_555 |
33 |
9 |
8906 |
290.7 |
-3.1 |
0.347 |
0 |
1 |
0 |
0.000 |
Average: |
297.9 |
-3.1 |
0.339 |
2 |
2 |
0 |
0.000 |
7 |
13 |
|
D |
27 |
7 |
8914 |
◊ |
B |
x,y,z |
1_555 |
34 |
12 |
8908 |
251.8 |
-1.9 |
0.414 |
1 |
0 |
0 |
0.000 |
14 |
|
C |
27 |
10 |
8906 |
◊ |
A |
x,y,z |
1_555 |
27 |
7 |
8744 |
242.2 |
-0.7 |
0.560 |
3 |
0 |
0 |
0.000 |
Average: |
247.0 |
-1.3 |
0.487 |
2 |
0 |
0 |
0.000 |
8 |
15 |
|
D |
31 |
11 |
8914 |
x |
D |
x-1,y,z |
1_455 |
22 |
6 |
8914 |
245.5 |
-1.4 |
0.500 |
2 |
0 |
0 |
0.000 |
16 |
|
C |
20 |
7 |
8906 |
x |
C |
x-1,y,z |
1_455 |
30 |
11 |
8906 |
235.5 |
0.2 |
0.637 |
3 |
0 |
0 |
0.000 |
17 |
|
B |
24 |
6 |
8908 |
x |
B |
x-1,y,z |
1_455 |
22 |
8 |
8908 |
209.3 |
-0.1 |
0.643 |
3 |
2 |
0 |
0.000 |
18 |
|
A |
26 |
10 |
8744 |
x |
A |
x-1,y,z |
1_455 |
16 |
6 |
8744 |
180.8 |
-1.0 |
0.506 |
2 |
0 |
0 |
0.000 |
Average: |
217.8 |
-0.6 |
0.571 |
3 |
1 |
0 |
0.000 |
9 |
19 |
|
A |
15 |
6 |
8744 |
◊ |
D |
x-1,y,z+1 |
1_456 |
22 |
6 |
8914 |
145.8 |
2.7 |
0.896 |
2 |
2 |
0 |
0.000 |
10 |
20 |
|
C |
12 |
5 |
8906 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
8908 |
93.0 |
-1.5 |
0.276 |
0 |
0 |
0 |
0.000 |
21 |
|
C |
10 |
4 |
8906 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
6 |
8908 |
87.4 |
-1.0 |
0.434 |
0 |
0 |
0 |
0.000 |
Average: |
90.2 |
-1.2 |
0.355 |
0 |
0 |
0 |
0.000 |
11 |
22 |
|
[06U]C:402 |
9 |
1 |
618 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
8744 |
83.5 |
-1.9 |
0.329 |
0 |
0 |
0 |
0.000 |
12 |
23 |
|
[CAC]B:403 |
4 |
1 |
235 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
8908 |
74.8 |
2.4 |
0.319 |
0 |
0 |
0 |
0.000 |
13 |
24 |
|
[06U]D:402 |
13 |
1 |
605 |
f |
[NAP]D:401 |
x,y,z |
1_555 |
7 |
1 |
943 |
69.7 |
-0.3 |
0.594 |
0 |
0 |
0 |
0.004 |
25 |
|
[06U]A:402 |
12 |
1 |
627 |
f |
[NAP]A:401 |
x,y,z |
1_555 |
7 |
1 |
907 |
65.0 |
-0.7 |
0.566 |
0 |
0 |
0 |
0.004 |
Average: |
67.4 |
-0.5 |
0.580 |
0 |
0 |
0 |
0.004 |
14 |
26 |
|
[06U]B:402 |
10 |
1 |
611 |
f |
[NAP]B:401 |
x,y,z |
1_555 |
6 |
1 |
925 |
66.6 |
-0.4 |
0.576 |
0 |
0 |
0 |
0.002 |
15 |
27 |
|
[06U]C:402 |
14 |
1 |
618 |
f |
[NAP]C:401 |
x,y,z |
1_555 |
7 |
1 |
922 |
63.2 |
-0.2 |
0.593 |
0 |
0 |
0 |
0.000 |
16 |
28 |
|
[CL]C:404 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
8906 |
61.0 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.018 |
17 |
29 |
|
[PEG]C:403 |
5 |
1 |
258 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
8906 |
60.2 |
1.7 |
0.277 |
1 |
0 |
0 |
0.000 |
18 |
30 |
|
[06U]B:402 |
12 |
1 |
611 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
8914 |
55.8 |
-1.3 |
0.406 |
0 |
0 |
0 |
0.000 |
19 |
31 |
|
[EOH]A:403 |
3 |
1 |
171 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
8744 |
53.1 |
1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
32 |
|
A |
9 |
3 |
8744 |
◊ |
D |
x-1,y+1,z |
1_465 |
6 |
2 |
8914 |
42.7 |
0.4 |
0.707 |
0 |
0 |
0 |
0.000 |
33 |
|
C |
3 |
1 |
8906 |
◊ |
B |
x,y-1,z |
1_545 |
4 |
1 |
8908 |
20.7 |
0.2 |
0.682 |
0 |
0 |
0 |
0.000 |
Average: |
31.7 |
0.3 |
0.695 |
0 |
0 |
0 |
0.000 |
21 |
34 |
|
[CAC]D:405 |
3 |
1 |
235 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
8914 |
35.4 |
-0.3 |
0.095 |
0 |
0 |
0 |
0.000 |
22 |
35 |
|
[CL]D:403 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
8914 |
34.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.010 |
23 |
36 |
|
[CA]C:405 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
8906 |
32.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.015 |
24 |
37 |
|
[CL]B:404 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
8908 |
26.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.010 |
25 |
38 |
|
[CA]C:405 |
1 |
1 |
85 |
f |
[CL]C:406 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.011 |
26 |
39 |
|
[CA]D:404 |
1 |
1 |
85 |
f |
[CL]D:403 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.015 |
27 |
40 |
|
[CAC]B:403 |
1 |
1 |
235 |
f |
D |
x-1,y+1,z |
1_465 |
4 |
2 |
8914 |
14.8 |
0.3 |
0.384 |
0 |
0 |
0 |
0.000 |
28 |
41 |
|
A |
3 |
2 |
8744 |
◊ |
B |
x-1,y,z+1 |
1_456 |
3 |
2 |
8908 |
13.1 |
-0.4 |
0.415 |
0 |
0 |
0 |
0.000 |
42 |
|
C |
1 |
1 |
8906 |
◊ |
D |
x-1,y,z+1 |
1_456 |
1 |
1 |
8914 |
0.8 |
-0.0 |
0.547 |
0 |
0 |
0 |
0.000 |
Average: |
7.0 |
-0.2 |
0.481 |
0 |
0 |
0 |
0.000 |
29 |
43 |
|
B |
3 |
1 |
8908 |
◊ |
[CA]D:404 |
x-1,y+1,z |
1_465 |
1 |
1 |
85 |
9.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
44 |
|
A |
1 |
1 |
8744 |
f |
[PEG]C:403 |
x-1,y+1,z |
1_465 |
1 |
1 |
258 |
9.0 |
0.3 |
0.347 |
0 |
0 |
0 |
0.000 |
31 |
45 |
|
B |
3 |
3 |
8908 |
◊ |
D |
x-1,y+1,z |
1_465 |
3 |
3 |
8914 |
8.9 |
0.1 |
0.663 |
0 |
0 |
0 |
0.000 |
46 |
|
C |
1 |
1 |
8906 |
◊ |
A |
x,y-1,z |
1_545 |
2 |
1 |
8744 |
6.2 |
-0.2 |
0.371 |
0 |
0 |
0 |
0.000 |
Average: |
7.5 |
-0.0 |
0.517 |
0 |
0 |
0 |
0.000 |
32 |
47 |
|
[CL]C:406 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
8906 |
6.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.001 |
33 |
48 |
|
A |
1 |
1 |
8744 |
◊ |
C |
x-1,y+1,z |
1_465 |
1 |
1 |
8906 |
3.4 |
0.1 |
0.768 |
0 |
0 |
0 |
0.000 |
49 |
|
D |
1 |
1 |
8914 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
8908 |
1.1 |
0.0 |
0.717 |
0 |
0 |
0 |
0.000 |
Average: |
2.3 |
0.1 |
0.742 |
0 |
0 |
0 |
0.000 |
34 |
50 |
|
[CA]D:404 |
1 |
1 |
85 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
8908 |
2.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
51 |
|
[CA]D:404 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
8914 |
0.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|