| ## |
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 |
|
B |
164 |
45 |
23275 |
◊ |
A |
-y+2,x-y+1,z |
2_765 |
167 |
45 |
23334 |
1629.7 |
-12.5 |
0.152 |
21 |
8 |
0 |
0.100 |
| 2 |
2 |
|
B |
78 |
22 |
23275 |
x |
B |
-y+2,x-y+1,z |
2_765 |
74 |
19 |
23275 |
704.8 |
1.1 |
0.657 |
6 |
5 |
0 |
0.016 |
3 |
|
A |
72 |
18 |
23334 |
x |
A |
-y+2,x-y+1,z |
2_765 |
72 |
21 |
23334 |
669.2 |
0.8 |
0.634 |
5 |
3 |
0 |
0.016 |
| Average: |
687.0 |
0.9 |
0.645 |
6 |
4 |
0 |
0.016 |
| 3 |
4 |
|
A |
70 |
22 |
23334 |
◊ |
B |
-y+2,x-y+1,z |
2_765 |
67 |
22 |
23275 |
600.9 |
-2.9 |
0.452 |
1 |
0 |
0 |
0.013 |
| 4 |
5 |
|
[ADX]A:635 |
27 |
1 |
526 |
f |
A |
x,y,z |
1_555 |
49 |
21 |
23334 |
351.8 |
-7.1 |
0.433 |
11 |
0 |
0 |
0.108 |
6 |
|
[ADX]B:636 |
27 |
1 |
527 |
f |
B |
x,y,z |
1_555 |
50 |
21 |
23275 |
350.0 |
-7.2 |
0.433 |
11 |
0 |
0 |
0.108 |
| Average: |
350.9 |
-7.1 |
0.433 |
11 |
0 |
0 |
0.108 |
| 5 |
7 |
|
B |
28 |
9 |
23275 |
◊ |
A |
x-1/3,y-2/3,z+1/3 |
7_445 |
33 |
10 |
23334 |
317.3 |
-0.4 |
0.573 |
2 |
1 |
0 |
0.000 |
| 6 |
8 |
|
[POP]B:638 |
9 |
1 |
263 |
f |
B |
x,y,z |
1_555 |
25 |
14 |
23275 |
148.2 |
-2.9 |
0.344 |
1 |
0 |
0 |
0.029 |
| 7 |
9 |
|
[POP]A:637 |
9 |
1 |
264 |
f |
A |
x,y,z |
1_555 |
25 |
13 |
23334 |
144.3 |
0.2 |
0.512 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
A |
12 |
5 |
23334 |
◊ |
A |
y-1/3,x+1/3,-z+4/3 |
10_456 |
12 |
5 |
23334 |
107.3 |
-0.4 |
0.527 |
1 |
0 |
0 |
0.004 |
| 9 |
11 |
|
B |
8 |
2 |
23275 |
◊ |
A |
-x+7/3,-x+y+2/3,-z+5/3 |
18_756 |
11 |
3 |
23334 |
100.1 |
-0.0 |
0.593 |
1 |
1 |
0 |
0.000 |
12 |
|
B |
11 |
3 |
23275 |
◊ |
A |
y-1/3,x-2/3,-z+4/3 |
10_446 |
8 |
2 |
23334 |
86.1 |
-0.1 |
0.578 |
2 |
2 |
0 |
0.000 |
| Average: |
93.1 |
-0.1 |
0.585 |
2 |
2 |
0 |
0.000 |
| 10 |
13 |
|
B |
9 |
4 |
23275 |
◊ |
B |
-x+4/3,-x+y+2/3,-z+5/3 |
18_656 |
9 |
4 |
23275 |
61.7 |
0.1 |
0.623 |
0 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[CD]B:531 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
23275 |
61.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.070 |
15 |
|
[CD]A:513 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
23334 |
58.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.070 |
| Average: |
60.0 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.070 |
| 12 |
16 |
|
[POP]B:638 |
6 |
1 |
263 |
f |
[ADX]B:636 |
x,y,z |
1_555 |
6 |
1 |
527 |
60.7 |
1.0 |
0.749 |
2 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[POP]A:637 |
6 |
1 |
264 |
f |
[ADX]A:635 |
x,y,z |
1_555 |
6 |
1 |
526 |
60.5 |
-0.9 |
0.583 |
1 |
0 |
0 |
0.012 |
| 14 |
18 |
|
[NA]B:541 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
23275 |
59.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.074 |
19 |
|
[NA]A:526 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
23334 |
52.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.074 |
| Average: |
56.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.074 |
| 15 |
20 |
|
[NA]B:543 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
23275 |
58.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.071 |
21 |
|
[NA]A:523 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
23334 |
49.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.071 |
| Average: |
54.3 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.071 |
| 16 |
22 |
|
[NA]B:542 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
23275 |
52.0 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.053 |
| 17 |
23 |
|
[MG]A:521 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
23334 |
51.6 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.073 |
24 |
|
[MG]B:539 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
23275 |
50.6 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.073 |
| Average: |
51.1 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.073 |
| 18 |
25 |
|
[NA]A:522 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
23334 |
50.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.053 |
26 |
|
[NA]B:540 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
23275 |
49.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.053 |
| Average: |
49.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.053 |
| 19 |
27 |
|
[CD]A:524 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
23334 |
48.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.047 |
| 20 |
28 |
|
[CD]B:530 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
23275 |
48.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.063 |
29 |
|
[CD]A:512 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
23334 |
46.7 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.063 |
| Average: |
47.4 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.063 |
| 21 |
30 |
|
[CD]B:532 |
1 |
1 |
112 |
cf |
B |
x,y,z |
1_555 |
9 |
4 |
23275 |
47.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.052 |
31 |
|
[CD]A:514 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
23334 |
46.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
47.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.052 |
| 22 |
32 |
|
[NA]A:525 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
23334 |
46.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.048 |
| 23 |
33 |
|
[CD]A:516 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
23334 |
45.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.055 |
34 |
|
[CD]B:534 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
23275 |
43.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.055 |
| Average: |
44.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.055 |
| 24 |
35 |
|
[CA]A:519 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
23334 |
43.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.068 |
36 |
|
[CA]B:537 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
23275 |
42.8 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.068 |
| Average: |
43.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.068 |
| 25 |
37 |
|
B |
6 |
3 |
23275 |
◊ |
[CD]A:524 |
x-1/3,y-2/3,z+1/3 |
7_445 |
1 |
1 |
112 |
40.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 26 |
38 |
|
[CA]B:535 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
23275 |
39.5 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.059 |
39 |
|
[CA]A:517 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
23334 |
37.8 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.059 |
| Average: |
38.6 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.059 |
| 27 |
40 |
|
[NA]B:544 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
23275 |
39.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.033 |
41 |
|
[NA]A:527 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
23334 |
38.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.033 |
| Average: |
38.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.033 |
| 28 |
42 |
|
[CD]A:515 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
23334 |
39.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.050 |
43 |
|
[CD]A:515 |
1 |
1 |
112 |
◊ |
B |
-y+2,x-y+1,z |
2_765 |
11 |
5 |
23275 |
38.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.050 |
44 |
|
[CD]B:533 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
23275 |
37.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.050 |
45 |
|
A |
12 |
5 |
23334 |
◊ |
[CD]B:533 |
-y+2,x-y+1,z |
2_765 |
1 |
1 |
112 |
37.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.050 |
| Average: |
38.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.050 |
| 29 |
46 |
|
B |
5 |
2 |
23275 |
◊ |
[CD]A:514 |
-x+7/3,-x+y+2/3,-z+5/3 |
18_756 |
1 |
1 |
112 |
35.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
|
[CD]B:532 |
1 |
1 |
112 |
◊ |
A |
y-1/3,x-2/3,-z+4/3 |
10_446 |
5 |
2 |
23334 |
35.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
35.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
48 |
|
[CD]B:534 |
1 |
1 |
112 |
◊ |
B |
-y+2,x-y+1,z |
2_765 |
6 |
3 |
23275 |
33.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.019 |
49 |
|
A |
6 |
3 |
23334 |
◊ |
[CD]A:516 |
-y+2,x-y+1,z |
2_765 |
1 |
1 |
112 |
31.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.019 |
| Average: |
32.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.019 |
| 31 |
50 |
|
[NA]B:536 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
23275 |
32.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.032 |
51 |
|
[NA]A:518 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
23334 |
32.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
32.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.032 |
| 32 |
52 |
|
[CA]B:538 |
1 |
1 |
85 |
x |
B |
x,y,z |
1_555 |
5 |
2 |
23275 |
31.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.094 |
53 |
|
[CA]A:520 |
1 |
1 |
85 |
x |
A |
x,y,z |
1_555 |
4 |
2 |
23334 |
30.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.094 |
| Average: |
30.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.094 |
| 33 |
54 |
|
B |
4 |
1 |
23275 |
◊ |
[NA]A:518 |
-y+2,x-y+1,z |
2_765 |
1 |
1 |
125 |
27.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.025 |
55 |
|
[NA]B:536 |
1 |
1 |
125 |
◊ |
A |
-y+2,x-y+1,z |
2_765 |
4 |
1 |
23334 |
23.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.025 |
| Average: |
25.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.025 |
| 34 |
56 |
|
[CA]B:538 |
1 |
1 |
85 |
f |
[CA]B:538 |
-x+4/3,-x+y+2/3,-z+5/3 |
18_656 |
1 |
1 |
85 |
26.7 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.100 |
| 35 |
57 |
|
B |
6 |
2 |
23275 |
◊ |
[CD]A:512 |
-y+2,x-y+1,z |
2_765 |
1 |
1 |
112 |
24.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.017 |
58 |
|
[CD]B:530 |
1 |
1 |
112 |
◊ |
A |
-y+2,x-y+1,z |
2_765 |
6 |
2 |
23334 |
21.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
23.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.017 |
| 36 |
59 |
|
[CD]A:515 |
1 |
1 |
112 |
f |
[CD]B:533 |
-y+2,x-y+1,z |
2_765 |
1 |
1 |
112 |
23.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.100 |
| 37 |
60 |
|
[CA]A:520 |
1 |
1 |
85 |
f |
[CA]A:520 |
y-1/3,x+1/3,-z+4/3 |
10_456 |
1 |
1 |
85 |
20.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.100 |
| 38 |
61 |
|
B |
5 |
1 |
23275 |
◊ |
[NA]A:525 |
x-1/3,y-2/3,z+1/3 |
7_445 |
1 |
1 |
125 |
18.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 39 |
62 |
|
B |
2 |
1 |
23275 |
◊ |
[NA]B:544 |
-y+2,x-y+1,z |
2_765 |
1 |
1 |
125 |
17.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.011 |
63 |
|
[NA]A:527 |
1 |
1 |
125 |
◊ |
A |
-y+2,x-y+1,z |
2_765 |
2 |
2 |
23334 |
16.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
17.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.011 |
| 40 |
64 |
|
[NA]B:543 |
1 |
1 |
125 |
f |
[NA]B:542 |
x,y,z |
1_555 |
1 |
1 |
125 |
1.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
|