## |
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 |
384 |
93 |
19036 |
◊ |
E |
x,y,z |
1_555 |
376 |
94 |
19313 |
3533.6 |
-43.8 |
0.034 |
50 |
5 |
0 |
0.569 |
2 |
|
D |
373 |
91 |
19428 |
◊ |
C |
x,y,z |
1_555 |
366 |
92 |
19506 |
3517.7 |
-41.2 |
0.053 |
52 |
6 |
0 |
0.569 |
3 |
|
B |
369 |
92 |
19609 |
◊ |
A |
x,y,z |
1_555 |
368 |
95 |
19317 |
3490.9 |
-45.1 |
0.014 |
52 |
5 |
0 |
0.569 |
Average: |
3514.1 |
-43.3 |
0.033 |
51 |
5 |
0 |
0.569 |
2 |
4 |
|
C |
56 |
17 |
19506 |
◊ |
E |
x-1,y,z |
1_455 |
57 |
16 |
19313 |
494.7 |
-4.5 |
0.394 |
2 |
0 |
0 |
0.000 |
3 |
5 |
|
[NAP]D:503 |
42 |
1 |
902 |
f |
D |
x,y,z |
1_555 |
70 |
27 |
19428 |
490.6 |
-4.1 |
0.405 |
14 |
0 |
0 |
0.184 |
6 |
|
[NAP]A:504 |
41 |
1 |
884 |
f |
A |
x,y,z |
1_555 |
69 |
28 |
19317 |
490.5 |
-4.1 |
0.425 |
15 |
0 |
0 |
0.184 |
7 |
|
[NAP]B:502 |
41 |
1 |
877 |
f |
B |
x,y,z |
1_555 |
73 |
27 |
19609 |
489.9 |
-4.0 |
0.403 |
16 |
0 |
0 |
0.184 |
8 |
|
[NAP]F:503 |
41 |
1 |
893 |
f |
F |
x,y,z |
1_555 |
66 |
25 |
19036 |
486.3 |
-3.6 |
0.432 |
18 |
0 |
0 |
0.184 |
9 |
|
[NAP]E:503 |
41 |
1 |
889 |
f |
E |
x,y,z |
1_555 |
69 |
27 |
19313 |
486.0 |
-3.7 |
0.413 |
16 |
0 |
0 |
0.184 |
10 |
|
[NAP]C:503 |
40 |
1 |
888 |
f |
C |
x,y,z |
1_555 |
64 |
26 |
19506 |
481.8 |
-3.4 |
0.429 |
14 |
0 |
0 |
0.184 |
Average: |
487.5 |
-3.8 |
0.418 |
16 |
0 |
0 |
0.184 |
4 |
11 |
|
C |
35 |
10 |
19506 |
◊ |
F |
x-1/2,-y-3/2,-z-1 |
4_434 |
40 |
14 |
19036 |
359.4 |
-4.8 |
0.240 |
1 |
0 |
0 |
0.000 |
12 |
|
D |
38 |
13 |
19428 |
◊ |
E |
x-1/2,-y-1/2,-z-1 |
4_444 |
33 |
9 |
19313 |
338.1 |
-5.4 |
0.142 |
0 |
0 |
0 |
0.000 |
Average: |
348.8 |
-5.1 |
0.191 |
1 |
0 |
0 |
0.000 |
5 |
13 |
|
A |
41 |
12 |
19317 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
36 |
12 |
19609 |
337.1 |
-1.3 |
0.581 |
2 |
2 |
0 |
0.000 |
6 |
14 |
|
C |
36 |
8 |
19506 |
◊ |
B |
x,y,z |
1_555 |
34 |
8 |
19609 |
314.9 |
-2.5 |
0.443 |
6 |
0 |
0 |
0.000 |
15 |
|
E |
31 |
8 |
19313 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
34 |
8 |
19317 |
301.6 |
-3.2 |
0.351 |
6 |
0 |
0 |
0.000 |
Average: |
308.2 |
-2.9 |
0.397 |
6 |
0 |
0 |
0.000 |
7 |
16 |
|
C |
31 |
12 |
19506 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
35 |
12 |
19609 |
272.2 |
0.1 |
0.664 |
3 |
1 |
0 |
0.000 |
8 |
17 |
|
E |
28 |
9 |
19313 |
◊ |
A |
x,y,z |
1_555 |
31 |
10 |
19317 |
244.7 |
0.8 |
0.751 |
2 |
0 |
0 |
0.000 |
9 |
18 |
|
D |
20 |
7 |
19428 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
22 |
9 |
19609 |
200.5 |
0.5 |
0.725 |
3 |
0 |
0 |
0.000 |
10 |
19 |
|
[NAP]E:503 |
20 |
1 |
889 |
◊ |
F |
x,y,z |
1_555 |
21 |
8 |
19036 |
167.6 |
0.1 |
0.626 |
1 |
0 |
0 |
0.007 |
20 |
|
[NAP]D:503 |
21 |
1 |
902 |
◊ |
C |
x,y,z |
1_555 |
18 |
7 |
19506 |
167.2 |
1.0 |
0.684 |
2 |
0 |
0 |
0.007 |
21 |
|
[NAP]C:503 |
21 |
1 |
888 |
◊ |
D |
x,y,z |
1_555 |
18 |
6 |
19428 |
166.7 |
0.8 |
0.674 |
1 |
0 |
0 |
0.007 |
22 |
|
[NAP]F:503 |
22 |
1 |
893 |
◊ |
E |
x,y,z |
1_555 |
19 |
7 |
19313 |
165.2 |
0.6 |
0.648 |
2 |
0 |
0 |
0.007 |
23 |
|
[NAP]B:502 |
20 |
1 |
877 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
19317 |
161.1 |
0.4 |
0.659 |
3 |
0 |
0 |
0.007 |
24 |
|
[NAP]A:504 |
19 |
1 |
884 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
19609 |
156.1 |
0.5 |
0.654 |
1 |
0 |
0 |
0.007 |
Average: |
164.0 |
0.6 |
0.657 |
2 |
0 |
0 |
0.007 |
11 |
25 |
|
[AKG]A:501 |
10 |
1 |
288 |
f |
A |
x,y,z |
1_555 |
29 |
15 |
19317 |
123.6 |
2.4 |
0.705 |
7 |
0 |
0 |
0.006 |
26 |
|
[AKG]C:501 |
10 |
1 |
286 |
f |
C |
x,y,z |
1_555 |
25 |
13 |
19506 |
118.9 |
2.6 |
0.720 |
6 |
0 |
0 |
0.006 |
Average: |
121.3 |
2.5 |
0.712 |
7 |
0 |
0 |
0.006 |
12 |
27 |
|
[AKG]D:501 |
9 |
1 |
287 |
f |
D |
x,y,z |
1_555 |
27 |
13 |
19428 |
121.9 |
1.1 |
0.615 |
5 |
0 |
0 |
0.012 |
28 |
|
[AKG]F:501 |
9 |
1 |
285 |
f |
F |
x,y,z |
1_555 |
25 |
13 |
19036 |
117.8 |
0.8 |
0.589 |
5 |
0 |
0 |
0.012 |
Average: |
119.8 |
0.9 |
0.602 |
5 |
0 |
0 |
0.012 |
13 |
29 |
|
[AKG]E:501 |
10 |
1 |
286 |
f |
E |
x,y,z |
1_555 |
23 |
12 |
19313 |
118.5 |
2.4 |
0.723 |
7 |
0 |
0 |
0.005 |
14 |
30 |
|
[AKG]B:501 |
10 |
1 |
282 |
f |
B |
x,y,z |
1_555 |
25 |
13 |
19609 |
117.1 |
3.2 |
0.608 |
7 |
0 |
0 |
0.000 |
15 |
31 |
|
F |
9 |
3 |
19036 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
8 |
3 |
19428 |
72.6 |
0.2 |
0.707 |
0 |
0 |
0 |
0.000 |
16 |
32 |
|
[NAP]D:503 |
10 |
1 |
902 |
f |
[AKG]D:501 |
x,y,z |
1_555 |
8 |
1 |
287 |
70.7 |
-0.5 |
0.329 |
1 |
0 |
0 |
0.008 |
33 |
|
[NAP]F:503 |
10 |
1 |
893 |
f |
[AKG]F:501 |
x,y,z |
1_555 |
9 |
1 |
285 |
65.6 |
-0.4 |
0.333 |
1 |
0 |
0 |
0.008 |
Average: |
68.2 |
-0.5 |
0.331 |
1 |
0 |
0 |
0.008 |
17 |
34 |
|
[NAP]C:503 |
10 |
1 |
888 |
f |
[AKG]C:501 |
x,y,z |
1_555 |
8 |
1 |
286 |
65.8 |
-1.3 |
0.265 |
0 |
0 |
0 |
0.012 |
35 |
|
[NAP]A:504 |
11 |
1 |
884 |
f |
[AKG]A:501 |
x,y,z |
1_555 |
8 |
1 |
288 |
65.7 |
-1.0 |
0.317 |
1 |
0 |
0 |
0.012 |
Average: |
65.8 |
-1.1 |
0.291 |
1 |
0 |
0 |
0.012 |
18 |
36 |
|
[AKG]C:501 |
8 |
1 |
286 |
◊ |
D |
x,y,z |
1_555 |
8 |
5 |
19428 |
65.4 |
0.0 |
0.426 |
2 |
0 |
0 |
0.011 |
37 |
|
[AKG]B:501 |
8 |
1 |
282 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
19317 |
59.0 |
-1.4 |
0.242 |
0 |
0 |
0 |
0.011 |
Average: |
62.2 |
-0.7 |
0.334 |
1 |
0 |
0 |
0.011 |
19 |
38 |
|
[AKG]F:501 |
7 |
1 |
285 |
◊ |
E |
x,y,z |
1_555 |
9 |
5 |
19313 |
65.3 |
-0.6 |
0.360 |
1 |
0 |
0 |
0.009 |
39 |
|
[AKG]D:501 |
6 |
1 |
287 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
19506 |
58.9 |
-1.0 |
0.327 |
0 |
0 |
0 |
0.009 |
Average: |
62.1 |
-0.8 |
0.343 |
1 |
0 |
0 |
0.009 |
20 |
40 |
|
[NAP]E:503 |
11 |
1 |
889 |
f |
[AKG]E:501 |
x,y,z |
1_555 |
9 |
1 |
286 |
64.7 |
-1.7 |
0.250 |
0 |
0 |
0 |
0.014 |
21 |
41 |
|
[NAP]B:502 |
10 |
1 |
877 |
f |
[AKG]B:501 |
x,y,z |
1_555 |
10 |
1 |
282 |
64.6 |
-0.6 |
0.285 |
0 |
0 |
0 |
0.005 |
22 |
42 |
|
[AKG]E:501 |
8 |
1 |
286 |
◊ |
F |
x,y,z |
1_555 |
10 |
5 |
19036 |
64.1 |
-0.2 |
0.452 |
1 |
0 |
0 |
0.005 |
23 |
43 |
|
[AKG]A:501 |
7 |
1 |
288 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
19609 |
63.9 |
-0.1 |
0.437 |
0 |
0 |
0 |
0.001 |
24 |
44 |
|
E |
6 |
2 |
19313 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
5 |
2 |
19609 |
42.3 |
-0.3 |
0.540 |
0 |
0 |
0 |
0.000 |
25 |
45 |
|
D |
5 |
4 |
19428 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
19317 |
36.1 |
0.1 |
0.602 |
0 |
0 |
0 |
0.000 |
26 |
46 |
|
[CA]F:502 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
10 |
5 |
19036 |
29.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.102 |
47 |
|
[CA]D:502 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
19428 |
28.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.102 |
48 |
|
[CA]E:502 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
8 |
5 |
19313 |
28.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.102 |
49 |
|
[CA]A:503 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
19609 |
28.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.102 |
50 |
|
[CA]C:502 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
19506 |
27.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.102 |
51 |
|
[CA]A:502 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
19317 |
27.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.102 |
Average: |
28.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.102 |
27 |
52 |
|
A |
2 |
1 |
19317 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
19317 |
27.3 |
0.1 |
0.670 |
0 |
0 |
0 |
0.000 |
28 |
53 |
|
[CA]A:502 |
1 |
1 |
85 |
f |
[AKG]A:501 |
x,y,z |
1_555 |
4 |
1 |
288 |
21.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.065 |
54 |
|
[CA]A:503 |
1 |
1 |
85 |
f |
[AKG]B:501 |
x,y,z |
1_555 |
4 |
1 |
282 |
20.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.065 |
55 |
|
[CA]F:502 |
1 |
1 |
85 |
f |
[AKG]F:501 |
x,y,z |
1_555 |
3 |
1 |
285 |
20.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.065 |
56 |
|
[CA]C:502 |
1 |
1 |
85 |
f |
[AKG]C:501 |
x,y,z |
1_555 |
3 |
1 |
286 |
20.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.065 |
57 |
|
[CA]D:502 |
1 |
1 |
85 |
f |
[AKG]D:501 |
x,y,z |
1_555 |
4 |
1 |
287 |
20.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.065 |
58 |
|
[CA]E:502 |
1 |
1 |
85 |
f |
[AKG]E:501 |
x,y,z |
1_555 |
3 |
1 |
286 |
19.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.065 |
Average: |
20.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.065 |
29 |
59 |
|
F |
3 |
3 |
19036 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
4 |
2 |
19609 |
19.7 |
0.7 |
0.803 |
0 |
0 |
0 |
0.000 |
30 |
60 |
|
C |
1 |
1 |
19506 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
19317 |
18.2 |
-0.0 |
0.465 |
0 |
0 |
0 |
0.000 |
31 |
61 |
|
[CA]C:502 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
19428 |
18.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.040 |
62 |
|
[CA]E:502 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
19036 |
18.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.040 |
63 |
|
[CA]A:503 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
19317 |
18.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.040 |
64 |
|
[CA]A:502 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
19609 |
17.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.040 |
65 |
|
[CA]F:502 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
19313 |
16.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.040 |
66 |
|
[CA]D:502 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
19506 |
15.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
17.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.040 |
32 |
67 |
|
D |
1 |
1 |
19428 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
19609 |
15.3 |
-0.1 |
0.326 |
0 |
0 |
0 |
0.000 |
68 |
|
F |
1 |
1 |
19036 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
2 |
19317 |
13.7 |
-0.2 |
0.325 |
0 |
0 |
0 |
0.000 |
Average: |
14.5 |
-0.1 |
0.326 |
0 |
0 |
0 |
0.000 |
33 |
69 |
|
[NAP]B:502 |
2 |
1 |
877 |
f |
[CA]A:503 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.020 |
70 |
|
[NAP]A:504 |
2 |
1 |
884 |
f |
[CA]A:502 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.020 |
71 |
|
[NAP]E:503 |
2 |
1 |
889 |
f |
[CA]E:502 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.020 |
72 |
|
[NAP]D:503 |
2 |
1 |
902 |
f |
[CA]D:502 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.020 |
73 |
|
[NAP]C:503 |
2 |
1 |
888 |
f |
[CA]C:502 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.020 |
74 |
|
[NAP]F:503 |
2 |
1 |
893 |
f |
[CA]F:502 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
7.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.020 |
34 |
75 |
|
D |
1 |
1 |
19428 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
19317 |
9.2 |
0.4 |
0.886 |
0 |
0 |
0 |
0.000 |
35 |
76 |
|
A |
1 |
1 |
19317 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
19428 |
8.6 |
0.0 |
0.448 |
0 |
0 |
0 |
0.000 |
36 |
77 |
|
C |
2 |
2 |
19506 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
19317 |
4.0 |
0.0 |
0.619 |
0 |
0 |
0 |
0.000 |
37 |
78 |
|
F |
2 |
2 |
19036 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
19317 |
2.6 |
-0.0 |
0.623 |
0 |
0 |
0 |
0.000 |
|