| ## |
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 |
|
C |
68 |
22 |
18252 |
◊ |
A |
x,y,z |
1_555 |
77 |
25 |
18575 |
657.8 |
-13.6 |
0.039 |
4 |
0 |
0 |
0.542 |
2 |
|
D |
67 |
23 |
18089 |
◊ |
B |
x-1,y,z+1 |
1_456 |
82 |
27 |
18776 |
627.2 |
-14.4 |
0.026 |
2 |
0 |
0 |
0.542 |
| Average: |
642.5 |
-14.0 |
0.033 |
3 |
0 |
0 |
0.542 |
| 2 |
3 |
|
A |
46 |
15 |
18575 |
◊ |
D |
x,y,z-1 |
1_554 |
57 |
18 |
18089 |
459.0 |
2.5 |
0.966 |
6 |
6 |
0 |
0.000 |
4 |
|
C |
59 |
19 |
18252 |
◊ |
B |
x,y,z |
1_555 |
48 |
15 |
18776 |
447.9 |
1.4 |
0.936 |
6 |
7 |
0 |
0.000 |
| Average: |
453.5 |
2.0 |
0.951 |
6 |
7 |
0 |
0.000 |
| 3 |
5 |
|
D |
37 |
13 |
18089 |
◊ |
A |
x,y-1,z+1 |
1_546 |
46 |
14 |
18575 |
373.0 |
-8.0 |
0.089 |
1 |
0 |
0 |
0.000 |
6 |
|
C |
41 |
14 |
18252 |
◊ |
B |
x-1,y+1,z |
1_465 |
43 |
14 |
18776 |
370.8 |
-8.4 |
0.075 |
0 |
0 |
0 |
0.000 |
| Average: |
371.9 |
-8.2 |
0.082 |
1 |
0 |
0 |
0.000 |
| 4 |
7 |
|
[C8E]C:502 |
16 |
1 |
517 |
◊ |
C |
x,y,z |
1_555 |
41 |
14 |
18252 |
255.7 |
4.4 |
0.399 |
1 |
0 |
0 |
0.000 |
| 5 |
8 |
|
[C8E]A:505 |
19 |
1 |
563 |
◊ |
A |
x,y,z |
1_555 |
39 |
13 |
18575 |
233.5 |
3.2 |
0.382 |
0 |
0 |
0 |
0.000 |
| 6 |
9 |
|
[C8E]B:505 |
17 |
1 |
593 |
f |
B |
x,y,z |
1_555 |
34 |
11 |
18776 |
232.0 |
-3.2 |
0.151 |
0 |
0 |
0 |
0.115 |
| 7 |
10 |
|
D |
26 |
11 |
18089 |
◊ |
[C8E]B:505 |
x-1,y,z+1 |
1_456 |
20 |
1 |
593 |
224.2 |
-0.1 |
0.213 |
1 |
0 |
0 |
0.019 |
| 8 |
11 |
|
[C8E]A:505 |
15 |
1 |
563 |
f |
C |
x,y,z |
1_555 |
26 |
12 |
18252 |
218.3 |
-2.2 |
0.165 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[C8E]A:503 |
15 |
1 |
501 |
f |
A |
x,y,z |
1_555 |
32 |
10 |
18575 |
214.0 |
-0.7 |
0.441 |
1 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[C8E]D:502 |
12 |
1 |
399 |
f |
D |
x,y,z |
1_555 |
45 |
14 |
18089 |
210.2 |
-3.9 |
0.541 |
0 |
0 |
0 |
0.140 |
| 11 |
14 |
|
[C8E]B:502 |
16 |
1 |
495 |
f |
B |
x,y,z |
1_555 |
28 |
10 |
18776 |
202.5 |
-3.3 |
0.371 |
1 |
0 |
0 |
0.136 |
| 12 |
15 |
|
[C8E]B:504 |
16 |
1 |
510 |
f |
B |
x,y,z |
1_555 |
30 |
10 |
18776 |
191.7 |
1.1 |
0.166 |
0 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[C8E]A:504 |
16 |
1 |
518 |
◊ |
A |
x,y,z |
1_555 |
29 |
10 |
18575 |
184.4 |
4.1 |
0.325 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[C8E]B:506 |
10 |
1 |
398 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
18776 |
173.6 |
1.5 |
0.091 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
D |
32 |
14 |
18089 |
f |
[C8E]A:501 |
x,y-1,z+1 |
1_546 |
11 |
1 |
398 |
172.7 |
-3.5 |
0.434 |
1 |
0 |
0 |
0.141 |
| 16 |
19 |
|
[C8E]C:503 |
16 |
1 |
534 |
◊ |
C |
x,y,z |
1_555 |
24 |
8 |
18252 |
168.8 |
-0.1 |
0.305 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[C8E]C:505 |
8 |
1 |
321 |
f |
C |
x,y,z |
1_555 |
27 |
11 |
18252 |
158.3 |
4.4 |
0.010 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[C8E]D:501 |
9 |
1 |
369 |
◊ |
D |
x,y,z |
1_555 |
21 |
8 |
18089 |
155.6 |
5.6 |
0.053 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[C8E]A:502 |
12 |
1 |
396 |
◊ |
A |
x,y,z |
1_555 |
22 |
9 |
18575 |
154.3 |
4.2 |
0.110 |
1 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[C8E]A:503 |
13 |
1 |
501 |
◊ |
C |
x,y,z |
1_555 |
23 |
7 |
18252 |
144.9 |
0.0 |
0.455 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[C8E]A:501 |
12 |
1 |
398 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
18575 |
144.1 |
-1.6 |
0.448 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
D |
18 |
5 |
18089 |
f |
[C8E]A:504 |
x,y-1,z+1 |
1_546 |
10 |
1 |
518 |
143.7 |
-2.2 |
0.069 |
0 |
0 |
0 |
0.077 |
| 23 |
26 |
|
[C8E]C:501 |
9 |
1 |
318 |
f |
C |
x,y,z |
1_555 |
23 |
8 |
18252 |
142.3 |
-2.4 |
0.815 |
2 |
0 |
0 |
0.000 |
| 24 |
27 |
|
D |
20 |
5 |
18089 |
◊ |
[C8E]B:503 |
x-1,y,z+1 |
1_456 |
13 |
1 |
478 |
140.4 |
1.1 |
0.117 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
C |
18 |
5 |
18252 |
◊ |
[C8E]B:504 |
x-1,y+1,z |
1_465 |
9 |
1 |
510 |
139.5 |
3.0 |
0.302 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
D |
20 |
7 |
18089 |
◊ |
[C8E]B:502 |
x-1,y,z+1 |
1_456 |
12 |
1 |
495 |
136.8 |
-1.0 |
0.406 |
0 |
0 |
0 |
0.035 |
| 27 |
30 |
|
[C8E]B:501 |
10 |
1 |
374 |
◊ |
B |
x,y,z |
1_555 |
22 |
9 |
18776 |
136.8 |
4.4 |
0.018 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[BOG]B:507 |
13 |
1 |
386 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
18776 |
131.2 |
1.7 |
0.401 |
2 |
0 |
0 |
0.000 |
32 |
|
[BOG]A:506 |
12 |
1 |
420 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
18575 |
130.3 |
2.3 |
0.434 |
3 |
0 |
0 |
0.000 |
| Average: |
130.7 |
2.0 |
0.417 |
3 |
0 |
0 |
0.000 |
| 29 |
33 |
|
[C8E]B:503 |
10 |
1 |
478 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
18776 |
127.5 |
3.1 |
0.298 |
0 |
0 |
0 |
0.000 |
| 30 |
34 |
|
[C8E]C:504 |
10 |
1 |
400 |
◊ |
C |
x,y,z |
1_555 |
19 |
5 |
18252 |
117.8 |
1.2 |
0.075 |
0 |
0 |
0 |
0.000 |
| 31 |
35 |
|
[C8E]C:504 |
9 |
1 |
400 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
18575 |
107.1 |
2.4 |
0.106 |
0 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[C8E]C:502 |
10 |
1 |
517 |
f |
A |
x,y,z |
1_555 |
17 |
4 |
18575 |
106.1 |
1.8 |
0.272 |
0 |
0 |
0 |
0.000 |
| 33 |
37 |
|
[C8E]D:502 |
7 |
1 |
399 |
◊ |
B |
x-1,y,z+1 |
1_456 |
15 |
3 |
18776 |
87.5 |
-2.6 |
0.407 |
0 |
0 |
0 |
0.091 |
| 34 |
38 |
|
[C8E]D:501 |
7 |
1 |
369 |
◊ |
[C8E]B:502 |
x-1,y,z+1 |
1_456 |
10 |
1 |
495 |
75.9 |
2.9 |
0.001 |
0 |
0 |
0 |
0.000 |
| 35 |
39 |
|
C |
8 |
2 |
18252 |
f |
[C8E]B:503 |
x-1,y+1,z |
1_465 |
10 |
1 |
478 |
72.7 |
-0.3 |
0.071 |
0 |
0 |
0 |
0.000 |
| 36 |
40 |
|
D |
9 |
3 |
18089 |
◊ |
[BOG]A:506 |
x,y-1,z+1 |
1_546 |
7 |
1 |
420 |
71.9 |
1.2 |
0.406 |
0 |
0 |
0 |
0.000 |
41 |
|
C |
10 |
3 |
18252 |
◊ |
[BOG]B:507 |
x-1,y+1,z |
1_465 |
7 |
1 |
386 |
67.1 |
1.0 |
0.465 |
0 |
0 |
0 |
0.000 |
| Average: |
69.5 |
1.1 |
0.436 |
0 |
0 |
0 |
0.000 |
| 37 |
42 |
|
C |
10 |
3 |
18252 |
f |
[C8E]B:501 |
x-1,y+1,z |
1_465 |
7 |
1 |
374 |
71.6 |
2.0 |
0.009 |
0 |
0 |
0 |
0.000 |
| 38 |
43 |
|
D |
8 |
2 |
18089 |
◊ |
[C8E]C:504 |
x,y-1,z+1 |
1_546 |
8 |
1 |
400 |
71.4 |
1.3 |
0.087 |
0 |
0 |
0 |
0.000 |
| 39 |
44 |
|
[C8E]C:501 |
7 |
1 |
318 |
◊ |
[C8E]A:503 |
x,y,z |
1_555 |
7 |
1 |
501 |
69.4 |
-0.4 |
0.679 |
0 |
0 |
0 |
0.000 |
| 40 |
45 |
|
D |
10 |
4 |
18089 |
f |
[C8E]A:502 |
x,y-1,z+1 |
1_546 |
7 |
1 |
396 |
69.2 |
1.5 |
0.099 |
0 |
0 |
0 |
0.000 |
| 41 |
46 |
|
D |
7 |
4 |
18089 |
◊ |
C |
x,y-1,z+1 |
1_546 |
7 |
4 |
18252 |
69.0 |
-0.9 |
0.437 |
0 |
0 |
0 |
0.000 |
| 42 |
47 |
|
[BOG]A:506 |
6 |
1 |
420 |
◊ |
[C8E]A:502 |
x,y,z |
1_555 |
7 |
1 |
396 |
68.5 |
2.7 |
0.060 |
0 |
0 |
0 |
0.000 |
| 43 |
48 |
|
[C8E]B:504 |
5 |
1 |
510 |
◊ |
[C8E]B:503 |
x,y,z |
1_555 |
9 |
1 |
478 |
67.3 |
2.1 |
0.116 |
0 |
0 |
0 |
0.000 |
| 44 |
49 |
|
[BOG]B:507 |
7 |
1 |
386 |
◊ |
[C8E]B:501 |
x,y,z |
1_555 |
7 |
1 |
374 |
65.6 |
2.6 |
0.005 |
0 |
0 |
0 |
0.000 |
| 45 |
50 |
|
[C8E]C:503 |
8 |
1 |
534 |
f |
B |
x-1,y+1,z |
1_465 |
6 |
3 |
18776 |
64.3 |
-0.4 |
0.212 |
0 |
0 |
0 |
0.015 |
| 46 |
51 |
|
[C8E]D:501 |
6 |
1 |
369 |
◊ |
B |
x-1,y,z+1 |
1_456 |
7 |
1 |
18776 |
62.8 |
1.0 |
0.001 |
0 |
0 |
0 |
0.000 |
| 47 |
52 |
|
[C8E]C:504 |
8 |
1 |
400 |
◊ |
[C8E]A:504 |
x,y,z |
1_555 |
6 |
1 |
518 |
57.1 |
1.9 |
0.042 |
0 |
0 |
0 |
0.000 |
| 48 |
53 |
|
D |
6 |
2 |
18089 |
◊ |
[C8E]B:506 |
x-1,y,z+1 |
1_456 |
6 |
1 |
398 |
57.0 |
1.5 |
0.188 |
0 |
0 |
0 |
0.000 |
| 49 |
54 |
|
[C8E]D:502 |
6 |
1 |
399 |
◊ |
[C8E]B:505 |
x-1,y,z+1 |
1_456 |
6 |
1 |
593 |
55.4 |
1.0 |
0.546 |
0 |
0 |
0 |
0.000 |
| 50 |
55 |
|
[C8E]C:501 |
6 |
1 |
318 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
18575 |
54.6 |
-2.3 |
0.413 |
0 |
0 |
0 |
0.000 |
| 51 |
56 |
|
[C8E]C:502 |
4 |
1 |
517 |
◊ |
[C8E]A:505 |
x,y,z |
1_555 |
5 |
1 |
563 |
42.4 |
1.9 |
0.359 |
0 |
0 |
0 |
0.000 |
| 52 |
57 |
|
A |
10 |
3 |
18575 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
3 |
18776 |
41.4 |
0.1 |
0.757 |
0 |
0 |
0 |
0.000 |
58 |
|
B |
10 |
4 |
18776 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
18575 |
34.7 |
0.1 |
0.755 |
0 |
0 |
0 |
0.000 |
| Average: |
38.1 |
0.1 |
0.756 |
0 |
0 |
0 |
0.000 |
| 53 |
59 |
|
[C8E]B:506 |
4 |
1 |
398 |
f |
[C8E]B:505 |
x,y,z |
1_555 |
4 |
1 |
593 |
35.1 |
0.6 |
0.154 |
0 |
0 |
0 |
0.000 |
| 54 |
60 |
|
[C8E]C:503 |
4 |
1 |
534 |
f |
[C8E]B:504 |
x-1,y+1,z |
1_465 |
1 |
1 |
510 |
28.4 |
0.6 |
0.484 |
0 |
0 |
0 |
0.000 |
| 55 |
61 |
|
[C8E]B:502 |
2 |
1 |
495 |
◊ |
[C8E]B:503 |
x,y,z |
1_555 |
1 |
1 |
478 |
17.5 |
0.4 |
0.502 |
0 |
0 |
0 |
0.000 |
| 56 |
62 |
|
[C8E]C:503 |
2 |
1 |
534 |
◊ |
[C8E]C:501 |
x,y,z |
1_555 |
1 |
1 |
318 |
7.9 |
-0.3 |
0.532 |
0 |
0 |
0 |
0.000 |
| 57 |
63 |
|
[C8E]D:501 |
1 |
1 |
369 |
f |
[C8E]B:503 |
x-1,y,z+1 |
1_456 |
1 |
1 |
478 |
7.6 |
0.5 |
0.183 |
0 |
0 |
0 |
0.000 |
| 58 |
64 |
|
[C8E]A:503 |
1 |
1 |
501 |
f |
[C8E]C:504 |
x,y,z |
1_555 |
1 |
1 |
400 |
6.5 |
0.4 |
0.354 |
0 |
0 |
0 |
0.000 |
| 59 |
65 |
|
D |
1 |
1 |
18089 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18776 |
2.5 |
-0.0 |
0.561 |
0 |
0 |
0 |
0.000 |
66 |
|
A |
1 |
1 |
18575 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
18252 |
1.1 |
-0.0 |
0.621 |
0 |
0 |
0 |
0.000 |
| Average: |
1.8 |
-0.0 |
0.591 |
0 |
0 |
0 |
0.000 |
|