| ## |
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 |
207 |
59 |
16943 |
◊ |
A |
x,y,z |
1_555 |
216 |
63 |
16993 |
2115.0 |
-29.3 |
0.270 |
12 |
2 |
0 |
0.617 |
2 |
|
D |
207 |
59 |
16944 |
◊ |
C |
x,y,z |
1_555 |
218 |
65 |
16953 |
2114.8 |
-27.2 |
0.354 |
14 |
4 |
0 |
0.617 |
3 |
|
C |
208 |
59 |
16953 |
◊ |
B |
x,y,z |
1_555 |
222 |
65 |
16943 |
2107.9 |
-29.5 |
0.256 |
12 |
1 |
0 |
0.617 |
4 |
|
E |
219 |
63 |
16917 |
◊ |
A |
x,y,z |
1_555 |
209 |
59 |
16993 |
2082.7 |
-27.9 |
0.338 |
13 |
6 |
0 |
0.617 |
5 |
|
E |
207 |
59 |
16917 |
◊ |
D |
x,y,z |
1_555 |
219 |
64 |
16944 |
2074.2 |
-29.4 |
0.265 |
11 |
1 |
0 |
0.617 |
| Average: |
2098.9 |
-28.6 |
0.297 |
12 |
3 |
0 |
0.617 |
| 2 |
6 |
|
B |
61 |
17 |
16943 |
◊ |
B |
-x,y,-z |
2_555 |
60 |
17 |
16943 |
504.0 |
-4.9 |
0.674 |
8 |
6 |
0 |
0.000 |
| 3 |
7 |
|
[PC1]E:603 |
33 |
1 |
872 |
f |
E |
x,y,z |
1_555 |
50 |
18 |
16917 |
439.4 |
-6.2 |
0.619 |
1 |
0 |
0 |
0.093 |
8 |
|
[PC1]A:602 |
34 |
1 |
898 |
f |
A |
x,y,z |
1_555 |
50 |
18 |
16993 |
422.6 |
-4.9 |
0.618 |
1 |
0 |
0 |
0.093 |
9 |
|
[PC1]D:602 |
33 |
1 |
864 |
f |
D |
x,y,z |
1_555 |
51 |
18 |
16944 |
418.8 |
-5.8 |
0.645 |
1 |
0 |
0 |
0.093 |
10 |
|
[PC1]C:602 |
34 |
1 |
906 |
f |
C |
x,y,z |
1_555 |
47 |
16 |
16953 |
415.5 |
-7.3 |
0.608 |
1 |
0 |
0 |
0.093 |
| Average: |
424.1 |
-6.1 |
0.622 |
1 |
0 |
0 |
0.093 |
| 4 |
11 |
|
D |
44 |
16 |
16944 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
47 |
18 |
16993 |
428.0 |
-2.8 |
0.746 |
5 |
0 |
0 |
0.000 |
| 5 |
12 |
|
C |
41 |
13 |
16953 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
41 |
12 |
16917 |
403.1 |
0.1 |
0.890 |
3 |
7 |
0 |
0.000 |
| 6 |
13 |
|
[PC1]B:602 |
32 |
1 |
931 |
f |
B |
x,y,z |
1_555 |
44 |
13 |
16943 |
401.1 |
-6.3 |
0.586 |
1 |
0 |
0 |
0.033 |
| 7 |
14 |
|
[PC1]C:603 |
26 |
1 |
721 |
f |
C |
x,y,z |
1_555 |
53 |
15 |
16953 |
380.3 |
-3.6 |
0.572 |
0 |
0 |
0 |
0.036 |
15 |
|
[PC1]E:604 |
26 |
1 |
735 |
f |
E |
x,y,z |
1_555 |
54 |
16 |
16917 |
380.2 |
-5.4 |
0.524 |
2 |
0 |
0 |
0.036 |
| Average: |
380.2 |
-4.5 |
0.548 |
1 |
0 |
0 |
0.036 |
| 8 |
16 |
|
[PC1]B:603 |
23 |
1 |
723 |
f |
B |
x,y,z |
1_555 |
51 |
16 |
16943 |
375.1 |
-7.0 |
0.458 |
0 |
0 |
0 |
0.045 |
17 |
|
[PC1]D:603 |
20 |
1 |
638 |
f |
D |
x,y,z |
1_555 |
47 |
14 |
16944 |
338.8 |
-5.6 |
0.501 |
0 |
0 |
0 |
0.045 |
| Average: |
357.0 |
-6.3 |
0.480 |
0 |
0 |
0 |
0.045 |
| 9 |
18 |
|
[PC1]A:603 |
25 |
1 |
782 |
f |
A |
x,y,z |
1_555 |
50 |
16 |
16993 |
359.2 |
-5.7 |
0.461 |
0 |
0 |
0 |
0.033 |
| 10 |
19 |
|
[PC1]A:601 |
20 |
1 |
1129 |
f |
E |
x,y,z |
1_555 |
42 |
11 |
16917 |
313.0 |
-6.5 |
0.450 |
0 |
0 |
0 |
0.088 |
20 |
|
[PC1]E:601 |
22 |
1 |
1141 |
f |
D |
x,y,z |
1_555 |
42 |
10 |
16944 |
304.3 |
-6.5 |
0.499 |
0 |
0 |
0 |
0.088 |
21 |
|
[PC1]D:601 |
21 |
1 |
1138 |
f |
C |
x,y,z |
1_555 |
43 |
12 |
16953 |
298.4 |
-6.0 |
0.538 |
0 |
0 |
0 |
0.088 |
22 |
|
[PC1]B:601 |
21 |
1 |
1119 |
f |
A |
x,y,z |
1_555 |
39 |
9 |
16993 |
296.7 |
-5.7 |
0.525 |
0 |
0 |
0 |
0.088 |
| Average: |
303.1 |
-6.2 |
0.503 |
0 |
0 |
0 |
0.088 |
| 11 |
23 |
|
[PC1]E:601 |
34 |
1 |
1141 |
◊ |
E |
x,y,z |
1_555 |
31 |
10 |
16917 |
302.1 |
-3.6 |
0.551 |
2 |
0 |
0 |
0.045 |
24 |
|
[PC1]D:601 |
33 |
1 |
1138 |
◊ |
D |
x,y,z |
1_555 |
29 |
10 |
16944 |
300.4 |
-1.8 |
0.498 |
1 |
0 |
0 |
0.045 |
25 |
|
[PC1]B:601 |
30 |
1 |
1119 |
◊ |
B |
x,y,z |
1_555 |
29 |
10 |
16943 |
293.3 |
-2.7 |
0.517 |
0 |
0 |
0 |
0.045 |
26 |
|
[PC1]A:601 |
31 |
1 |
1129 |
◊ |
A |
x,y,z |
1_555 |
27 |
9 |
16993 |
283.8 |
-3.1 |
0.478 |
0 |
0 |
0 |
0.045 |
| Average: |
294.9 |
-2.8 |
0.511 |
1 |
0 |
0 |
0.045 |
| 12 |
27 |
|
[PC1]C:601 |
32 |
1 |
1155 |
◊ |
C |
x,y,z |
1_555 |
33 |
10 |
16953 |
298.2 |
-3.2 |
0.571 |
1 |
0 |
0 |
0.013 |
| 13 |
28 |
|
[PC1]C:601 |
20 |
1 |
1155 |
f |
B |
x,y,z |
1_555 |
41 |
9 |
16943 |
283.1 |
-6.4 |
0.423 |
0 |
0 |
0 |
0.032 |
| 14 |
29 |
|
[LMT]E:602 |
26 |
1 |
782 |
f |
E |
x,y,z |
1_555 |
37 |
10 |
16917 |
256.9 |
0.8 |
0.556 |
1 |
0 |
0 |
0.008 |
30 |
|
[LMT]A:501 |
24 |
1 |
783 |
f |
A |
x,y,z |
1_555 |
32 |
9 |
16993 |
235.9 |
-0.5 |
0.524 |
2 |
0 |
0 |
0.008 |
| Average: |
246.4 |
0.1 |
0.540 |
2 |
0 |
0 |
0.008 |
| 15 |
31 |
|
[LMT]B:501 |
26 |
1 |
760 |
◊ |
B |
x,y,z |
1_555 |
32 |
9 |
16943 |
245.3 |
-0.1 |
0.532 |
1 |
0 |
0 |
0.002 |
| 16 |
32 |
|
[LMT]C:501 |
18 |
1 |
793 |
f |
C |
x,y,z |
1_555 |
27 |
8 |
16953 |
215.2 |
-0.6 |
0.467 |
2 |
0 |
0 |
0.011 |
| 17 |
33 |
|
[LMT]E:501 |
18 |
1 |
759 |
◊ |
D |
x,y,z |
1_555 |
27 |
8 |
16944 |
200.5 |
1.5 |
0.581 |
2 |
0 |
0 |
0.000 |
| 18 |
34 |
|
[LMT]C:501 |
16 |
1 |
793 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
16944 |
148.3 |
0.5 |
0.449 |
1 |
0 |
0 |
0.000 |
| 19 |
35 |
|
A |
18 |
5 |
16993 |
◊ |
A |
-x,y,-z |
2_555 |
18 |
5 |
16993 |
144.9 |
2.8 |
0.966 |
4 |
0 |
0 |
0.000 |
| 20 |
36 |
|
[LMT]E:602 |
21 |
1 |
782 |
◊ |
[LMT]E:501 |
x,y,z |
1_555 |
14 |
1 |
759 |
144.6 |
2.2 |
0.476 |
2 |
0 |
0 |
0.000 |
| 21 |
37 |
|
[LMT]B:501 |
18 |
1 |
760 |
f |
[LMT]A:501 |
x,y,z |
1_555 |
15 |
1 |
783 |
143.9 |
3.7 |
0.668 |
2 |
0 |
0 |
0.000 |
| 22 |
38 |
|
[LMT]E:501 |
19 |
1 |
759 |
f |
[LMT]C:501 |
x,y,z |
1_555 |
17 |
1 |
793 |
136.0 |
3.8 |
0.574 |
2 |
0 |
0 |
0.000 |
| 23 |
39 |
|
[LMT]B:501 |
14 |
1 |
760 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
16953 |
115.4 |
-0.6 |
0.298 |
0 |
0 |
0 |
0.002 |
| 24 |
40 |
|
A |
13 |
5 |
16993 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
12 |
4 |
16993 |
115.3 |
-2.3 |
0.353 |
0 |
0 |
0 |
0.000 |
41 |
|
D |
12 |
4 |
16944 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
12 |
4 |
16953 |
111.1 |
-2.4 |
0.325 |
0 |
0 |
0 |
0.000 |
42 |
|
E |
13 |
4 |
16917 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
13 |
4 |
16943 |
108.3 |
-2.2 |
0.387 |
0 |
0 |
0 |
0.000 |
| Average: |
111.6 |
-2.3 |
0.355 |
0 |
0 |
0 |
0.000 |
| 25 |
43 |
|
[LMT]A:501 |
18 |
1 |
783 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
16943 |
114.1 |
-0.6 |
0.299 |
0 |
0 |
0 |
0.007 |
44 |
|
[LMT]E:602 |
16 |
1 |
782 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
16993 |
108.6 |
-1.3 |
0.188 |
0 |
0 |
0 |
0.007 |
| Average: |
111.3 |
-0.9 |
0.244 |
0 |
0 |
0 |
0.007 |
| 26 |
45 |
|
[LMT]E:602 |
14 |
1 |
782 |
◊ |
[LMT]A:501 |
x,y,z |
1_555 |
14 |
1 |
783 |
112.4 |
4.1 |
0.673 |
1 |
0 |
0 |
0.000 |
| 27 |
46 |
|
[LMT]E:501 |
19 |
1 |
759 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
16917 |
111.9 |
-0.4 |
0.198 |
0 |
0 |
0 |
0.002 |
| 28 |
47 |
|
[LMT]C:502 |
12 |
1 |
761 |
f |
[LMT]C:501 |
x,y,z |
1_555 |
9 |
1 |
793 |
90.6 |
4.0 |
0.722 |
0 |
0 |
0 |
0.000 |
| 29 |
48 |
|
[LMT]C:502 |
9 |
1 |
761 |
◊ |
[LMT]B:501 |
x,y,z |
1_555 |
12 |
1 |
760 |
89.6 |
4.3 |
0.777 |
0 |
0 |
0 |
0.000 |
| 30 |
49 |
|
[LMT]C:502 |
13 |
1 |
761 |
◊ |
[LMT]A:501 |
x,y,z |
1_555 |
12 |
1 |
783 |
88.2 |
3.9 |
0.711 |
0 |
0 |
0 |
0.000 |
| 31 |
50 |
|
[LMT]C:501 |
14 |
1 |
793 |
◊ |
[LMT]B:501 |
x,y,z |
1_555 |
13 |
1 |
760 |
87.4 |
3.2 |
0.617 |
0 |
0 |
0 |
0.000 |
| 32 |
51 |
|
[LMT]E:602 |
10 |
1 |
782 |
◊ |
[LMT]C:502 |
x,y,z |
1_555 |
8 |
1 |
761 |
85.7 |
3.8 |
0.731 |
0 |
0 |
0 |
0.000 |
| 33 |
52 |
|
[LMT]C:502 |
12 |
1 |
761 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
16993 |
85.7 |
-0.8 |
0.396 |
1 |
0 |
0 |
0.005 |
| 34 |
53 |
|
[LMT]C:502 |
11 |
1 |
761 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
16953 |
80.2 |
-3.1 |
0.162 |
2 |
0 |
0 |
0.030 |
| 35 |
54 |
|
[LMT]E:501 |
12 |
1 |
759 |
f |
[LMT]C:502 |
x,y,z |
1_555 |
12 |
1 |
761 |
80.1 |
3.3 |
0.656 |
0 |
0 |
0 |
0.000 |
| 36 |
55 |
|
[LMT]C:502 |
15 |
1 |
761 |
◊ |
E |
x,y,z |
1_555 |
10 |
4 |
16917 |
76.5 |
-1.1 |
0.357 |
1 |
0 |
0 |
0.005 |
| 37 |
56 |
|
[LMT]C:502 |
13 |
1 |
761 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
16944 |
72.9 |
-1.2 |
0.343 |
0 |
0 |
0 |
0.004 |
| 38 |
57 |
|
[LMT]C:502 |
12 |
1 |
761 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
16943 |
67.7 |
-1.4 |
0.287 |
2 |
0 |
0 |
0.008 |
| 39 |
58 |
|
[PC1]A:601 |
6 |
1 |
1129 |
◊ |
[PC1]A:603 |
x,y,z |
1_555 |
4 |
1 |
782 |
61.3 |
-2.3 |
0.481 |
0 |
0 |
0 |
0.008 |
| 40 |
59 |
|
[PC1]E:601 |
8 |
1 |
1141 |
◊ |
[PC1]E:604 |
x,y,z |
1_555 |
5 |
1 |
735 |
52.2 |
-2.1 |
0.580 |
0 |
0 |
0 |
0.021 |
60 |
|
[PC1]D:601 |
5 |
1 |
1138 |
◊ |
[PC1]D:603 |
x,y,z |
1_555 |
4 |
1 |
638 |
50.4 |
-1.8 |
0.545 |
0 |
0 |
0 |
0.021 |
61 |
|
[PC1]B:601 |
4 |
1 |
1119 |
◊ |
[PC1]B:603 |
x,y,z |
1_555 |
5 |
1 |
723 |
47.3 |
-2.1 |
0.486 |
0 |
0 |
0 |
0.021 |
| Average: |
50.0 |
-2.0 |
0.537 |
0 |
0 |
0 |
0.021 |
| 41 |
62 |
|
[LMT]E:501 |
3 |
1 |
759 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
16953 |
45.5 |
-0.8 |
0.240 |
0 |
0 |
0 |
0.006 |
| 42 |
63 |
|
[LMT]A:501 |
3 |
1 |
783 |
◊ |
E |
x,y,z |
1_555 |
4 |
3 |
16917 |
42.8 |
-1.2 |
0.220 |
0 |
0 |
0 |
0.008 |
64 |
|
[LMT]E:602 |
4 |
1 |
782 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
16944 |
42.1 |
-1.1 |
0.217 |
0 |
0 |
0 |
0.008 |
| Average: |
42.4 |
-1.1 |
0.218 |
0 |
0 |
0 |
0.008 |
| 43 |
65 |
|
[LMT]B:501 |
3 |
1 |
760 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
16993 |
42.6 |
-1.2 |
0.225 |
0 |
0 |
0 |
0.007 |
| 44 |
66 |
|
[LMT]C:501 |
3 |
1 |
793 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
16943 |
36.7 |
-1.1 |
0.246 |
0 |
0 |
0 |
0.004 |
| 45 |
67 |
|
[PC1]C:601 |
3 |
1 |
1155 |
◊ |
[PC1]C:603 |
x,y,z |
1_555 |
4 |
1 |
721 |
32.3 |
-0.7 |
0.596 |
0 |
0 |
0 |
0.002 |
| 46 |
68 |
|
[PC1]B:601 |
2 |
1 |
1119 |
f |
[PC1]A:602 |
x,y,z |
1_555 |
1 |
1 |
898 |
28.9 |
-0.9 |
0.412 |
0 |
0 |
0 |
0.006 |
69 |
|
[PC1]A:601 |
1 |
1 |
1129 |
f |
[PC1]E:603 |
x,y,z |
1_555 |
1 |
1 |
872 |
13.1 |
-0.4 |
0.610 |
0 |
0 |
0 |
0.006 |
70 |
|
[PC1]E:601 |
1 |
1 |
1141 |
f |
[PC1]D:602 |
x,y,z |
1_555 |
2 |
1 |
864 |
8.4 |
-0.3 |
0.673 |
0 |
0 |
0 |
0.006 |
| Average: |
16.8 |
-0.5 |
0.565 |
0 |
0 |
0 |
0.006 |
| 47 |
71 |
|
C |
3 |
2 |
16953 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
16993 |
19.4 |
0.1 |
0.747 |
0 |
0 |
0 |
0.000 |
72 |
|
D |
1 |
1 |
16944 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
16917 |
11.9 |
0.0 |
0.698 |
0 |
0 |
0 |
0.000 |
| Average: |
15.6 |
0.1 |
0.722 |
0 |
0 |
0 |
0.000 |
| 48 |
73 |
|
[PC1]C:602 |
1 |
1 |
906 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
16917 |
16.9 |
-0.1 |
0.647 |
0 |
0 |
0 |
0.000 |
| 49 |
74 |
|
[PC1]C:601 |
1 |
1 |
1155 |
f |
[PC1]B:602 |
x,y,z |
1_555 |
1 |
1 |
931 |
7.2 |
-0.2 |
0.701 |
0 |
0 |
0 |
0.001 |
|