## |
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 |
|
D |
471 |
118 |
24106 |
◊ |
C |
x,y,z |
1_555 |
463 |
127 |
19645 |
4433.9 |
-52.7 |
0.021 |
60 |
19 |
0 |
0.522 |
2 |
|
B |
475 |
119 |
24354 |
◊ |
A |
x,y,z |
1_555 |
463 |
127 |
19714 |
4418.5 |
-52.8 |
0.018 |
58 |
20 |
0 |
0.522 |
Average: |
4426.2 |
-52.8 |
0.019 |
59 |
20 |
0 |
0.522 |
2 |
3 |
|
D |
311 |
79 |
24106 |
◊ |
B |
x,y,z |
1_555 |
308 |
77 |
24354 |
2862.8 |
-22.7 |
0.378 |
48 |
28 |
0 |
0.695 |
3 |
4 |
|
B |
141 |
36 |
24354 |
◊ |
C |
x,y,z |
1_555 |
149 |
38 |
19645 |
1262.4 |
-16.2 |
0.159 |
13 |
6 |
0 |
0.344 |
5 |
|
D |
146 |
36 |
24106 |
◊ |
A |
x,y,z |
1_555 |
150 |
38 |
19714 |
1259.3 |
-16.4 |
0.151 |
13 |
6 |
0 |
0.344 |
Average: |
1260.9 |
-16.3 |
0.155 |
13 |
6 |
0 |
0.344 |
4 |
6 |
|
D |
34 |
8 |
24106 |
◊ |
A |
x,y,z-1 |
1_554 |
35 |
9 |
19714 |
327.7 |
-1.9 |
0.493 |
1 |
4 |
0 |
0.000 |
7 |
|
C |
42 |
12 |
19645 |
◊ |
B |
x,y,z-1 |
1_554 |
32 |
7 |
24354 |
322.8 |
-2.8 |
0.416 |
1 |
4 |
0 |
0.000 |
Average: |
325.3 |
-2.3 |
0.454 |
1 |
4 |
0 |
0.000 |
5 |
8 |
|
C |
41 |
16 |
19645 |
◊ |
A |
x,y,z-1 |
1_554 |
44 |
16 |
19714 |
321.6 |
6.3 |
0.976 |
2 |
2 |
0 |
0.000 |
6 |
9 |
|
[ICS]A:502 |
16 |
1 |
470 |
f |
A |
x,y,z |
1_555 |
48 |
18 |
19714 |
282.7 |
-18.0 |
0.730 |
5 |
0 |
0 |
0.302 |
10 |
|
[ICS]C:502 |
16 |
1 |
469 |
f |
C |
x,y,z |
1_555 |
50 |
18 |
19645 |
281.2 |
-18.1 |
0.731 |
5 |
0 |
0 |
0.302 |
Average: |
282.0 |
-18.0 |
0.731 |
5 |
0 |
0 |
0.302 |
7 |
11 |
|
[HCA]C:501 |
13 |
1 |
346 |
f |
C |
x,y,z |
1_555 |
36 |
17 |
19645 |
196.1 |
0.7 |
0.445 |
5 |
0 |
0 |
0.018 |
12 |
|
[HCA]A:501 |
13 |
1 |
345 |
f |
A |
x,y,z |
1_555 |
36 |
17 |
19714 |
194.5 |
0.7 |
0.430 |
4 |
0 |
0 |
0.018 |
Average: |
195.3 |
0.7 |
0.438 |
5 |
0 |
0 |
0.018 |
8 |
13 |
|
[CLF]D:602 |
12 |
1 |
451 |
f |
C |
x,y,z |
1_555 |
26 |
10 |
19645 |
180.9 |
-18.3 |
0.082 |
0 |
0 |
0 |
0.271 |
14 |
|
[CLF]B:601 |
12 |
1 |
449 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
19714 |
180.6 |
-18.1 |
0.080 |
0 |
0 |
0 |
0.271 |
Average: |
180.8 |
-18.2 |
0.081 |
0 |
0 |
0 |
0.271 |
9 |
15 |
|
[CLF]D:602 |
12 |
1 |
451 |
◊ |
D |
x,y,z |
1_555 |
26 |
12 |
24106 |
179.4 |
-17.5 |
0.100 |
0 |
0 |
0 |
0.111 |
16 |
|
[CLF]B:601 |
12 |
1 |
449 |
◊ |
B |
x,y,z |
1_555 |
25 |
12 |
24354 |
179.4 |
-17.4 |
0.093 |
0 |
0 |
0 |
0.111 |
Average: |
179.4 |
-17.5 |
0.096 |
0 |
0 |
0 |
0.111 |
10 |
17 |
|
D |
14 |
8 |
24106 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
34 |
15 |
19645 |
171.2 |
0.1 |
0.670 |
0 |
1 |
0 |
0.000 |
18 |
|
A |
34 |
16 |
19714 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
10 |
24354 |
163.7 |
0.4 |
0.715 |
1 |
1 |
0 |
0.000 |
Average: |
167.4 |
0.3 |
0.693 |
1 |
1 |
0 |
0.000 |
11 |
19 |
|
A |
17 |
6 |
19714 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
5 |
19714 |
165.3 |
-0.8 |
0.496 |
1 |
0 |
0 |
0.000 |
20 |
|
C |
18 |
4 |
19645 |
x |
C |
-x+1,y-1/2,-z |
2_645 |
14 |
4 |
19645 |
156.6 |
-1.0 |
0.485 |
1 |
0 |
0 |
0.000 |
Average: |
161.0 |
-0.9 |
0.491 |
1 |
0 |
0 |
0.000 |
12 |
21 |
|
C |
19 |
6 |
19645 |
◊ |
B |
x-1,y,z-1 |
1_454 |
14 |
4 |
24354 |
133.9 |
-0.4 |
0.632 |
3 |
2 |
0 |
0.000 |
13 |
22 |
|
[IMD]D:603 |
5 |
1 |
196 |
f |
D |
x,y,z |
1_555 |
23 |
11 |
24106 |
127.4 |
4.3 |
0.575 |
1 |
0 |
0 |
0.000 |
14 |
23 |
|
[IMD]B:602 |
5 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
24354 |
126.8 |
4.2 |
0.578 |
0 |
0 |
0 |
0.000 |
15 |
24 |
|
[IMD]C:505 |
5 |
1 |
198 |
◊ |
C |
x,y,z |
1_555 |
17 |
8 |
19645 |
113.0 |
3.1 |
0.366 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
[IMD]A:504 |
5 |
1 |
198 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
19714 |
112.6 |
2.7 |
0.345 |
1 |
0 |
0 |
0.000 |
17 |
26 |
|
[IMD]B:605 |
5 |
1 |
199 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
24354 |
108.0 |
4.4 |
0.477 |
1 |
0 |
0 |
0.000 |
18 |
27 |
|
[IMD]D:604 |
5 |
1 |
199 |
f |
D |
x,y,z |
1_555 |
17 |
9 |
24106 |
107.1 |
3.7 |
0.370 |
2 |
0 |
0 |
0.000 |
19 |
28 |
|
[IMD]A:503 |
5 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
19714 |
88.8 |
3.0 |
0.244 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
[IMD]C:503 |
5 |
1 |
198 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
19645 |
87.3 |
2.7 |
0.245 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
[IMD]B:606 |
5 |
1 |
197 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
24106 |
77.1 |
1.9 |
0.177 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
[IMD]D:606 |
3 |
1 |
198 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
24354 |
73.3 |
1.0 |
0.281 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
[IMD]D:601 |
5 |
1 |
197 |
◊ |
A |
x,y,z-1 |
1_554 |
11 |
3 |
19714 |
72.8 |
2.3 |
0.245 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
C |
13 |
3 |
19645 |
◊ |
[IMD]B:603 |
x,y,z-1 |
1_554 |
5 |
1 |
197 |
72.5 |
2.5 |
0.291 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
[IMD]B:603 |
5 |
1 |
197 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
19714 |
63.2 |
1.6 |
0.198 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
[ICS]A:502 |
6 |
1 |
470 |
f |
[HCA]A:501 |
x,y,z |
1_555 |
7 |
1 |
345 |
62.7 |
-1.9 |
0.673 |
0 |
0 |
0 |
0.040 |
36 |
|
[ICS]C:502 |
6 |
1 |
469 |
f |
[HCA]C:501 |
x,y,z |
1_555 |
7 |
1 |
346 |
62.2 |
-3.4 |
0.445 |
0 |
0 |
0 |
0.040 |
Average: |
62.5 |
-2.7 |
0.559 |
0 |
0 |
0 |
0.040 |
27 |
37 |
|
[IMD]D:601 |
5 |
1 |
197 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
19645 |
62.5 |
1.5 |
0.190 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
[IMD]D:606 |
4 |
1 |
198 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
24106 |
60.0 |
2.2 |
0.329 |
0 |
0 |
0 |
0.000 |
29 |
39 |
|
[IMD]B:606 |
3 |
1 |
197 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
24354 |
54.0 |
1.2 |
0.239 |
1 |
0 |
0 |
0.000 |
30 |
40 |
|
[IMD]D:601 |
3 |
1 |
197 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
24106 |
53.9 |
1.0 |
0.249 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
[IMD]B:603 |
3 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
24354 |
53.9 |
0.9 |
0.275 |
0 |
0 |
0 |
0.000 |
32 |
42 |
|
[MG]B:604 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
24354 |
52.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.102 |
33 |
43 |
|
[SE]A:505 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
19714 |
47.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.067 |
44 |
|
[SE]C:504 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
19645 |
47.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.067 |
Average: |
47.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.067 |
34 |
45 |
|
[CA]C:506 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
19645 |
47.3 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.114 |
35 |
46 |
|
[IMD]C:505 |
3 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
24354 |
45.2 |
1.3 |
0.212 |
0 |
0 |
0 |
0.000 |
36 |
47 |
|
[HCA]C:501 |
7 |
1 |
346 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
24106 |
45.1 |
1.3 |
0.552 |
0 |
0 |
0 |
0.000 |
48 |
|
[HCA]A:501 |
7 |
1 |
345 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
24354 |
44.8 |
0.9 |
0.472 |
0 |
0 |
0 |
0.000 |
Average: |
44.9 |
1.1 |
0.512 |
0 |
0 |
0 |
0.000 |
37 |
49 |
|
[IMD]A:504 |
3 |
1 |
198 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
24106 |
45.0 |
1.7 |
0.311 |
0 |
0 |
0 |
0.000 |
38 |
50 |
|
[SE]C:504 |
1 |
1 |
137 |
f |
[ICS]C:502 |
x,y,z |
1_555 |
6 |
1 |
469 |
43.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.072 |
51 |
|
[SE]A:505 |
1 |
1 |
137 |
f |
[ICS]A:502 |
x,y,z |
1_555 |
6 |
1 |
470 |
43.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
43.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.072 |
39 |
52 |
|
[IMD]D:606 |
5 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
19714 |
43.0 |
0.5 |
0.030 |
0 |
0 |
0 |
0.000 |
40 |
53 |
|
[MG]D:605 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
24106 |
41.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.509 |
41 |
54 |
|
[IMD]B:606 |
5 |
1 |
197 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
19645 |
39.5 |
0.4 |
0.030 |
0 |
0 |
0 |
0.000 |
42 |
55 |
|
[CA]B:607 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
24106 |
27.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.473 |
56 |
|
[CA]D:608 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
24354 |
24.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.473 |
57 |
|
[CA]D:607 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
24354 |
17.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.473 |
Average: |
22.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.473 |
43 |
58 |
|
[CA]B:607 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
24354 |
25.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.185 |
59 |
|
[CA]D:608 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
24106 |
22.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.185 |
60 |
|
[CA]D:607 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
24106 |
21.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.185 |
Average: |
23.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.185 |
44 |
61 |
|
[CA]D:607 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
19714 |
25.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.040 |
62 |
|
[CA]B:607 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
19645 |
18.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.040 |
63 |
|
[CA]D:608 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
19714 |
15.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
19.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.040 |
45 |
64 |
|
D |
3 |
1 |
24106 |
◊ |
[CA]C:506 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
85 |
20.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
65 |
|
B |
3 |
2 |
24354 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
2 |
24106 |
13.1 |
0.0 |
0.651 |
0 |
0 |
0 |
0.000 |
47 |
66 |
|
[CA]D:608 |
1 |
1 |
85 |
f |
[CA]D:607 |
x,y,z |
1_555 |
1 |
1 |
85 |
13.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.056 |
48 |
67 |
|
[SE]C:504 |
1 |
1 |
137 |
f |
[HCA]C:501 |
x,y,z |
1_555 |
4 |
1 |
346 |
12.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
68 |
|
[SE]A:505 |
1 |
1 |
137 |
f |
[HCA]A:501 |
x,y,z |
1_555 |
4 |
1 |
345 |
12.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
12.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
49 |
69 |
|
A |
3 |
2 |
19714 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
2 |
24106 |
12.4 |
0.3 |
0.747 |
0 |
0 |
0 |
0.000 |
50 |
70 |
|
A |
4 |
2 |
19714 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
4 |
24354 |
9.4 |
-0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
51 |
71 |
|
D |
1 |
1 |
24106 |
x |
D |
x-1,y,z |
1_455 |
1 |
1 |
24106 |
1.4 |
0.0 |
0.742 |
0 |
0 |
0 |
0.000 |
|