## |
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 |
|
E |
641 |
154 |
21966 |
◊ |
D |
x,y,z |
1_555 |
633 |
153 |
24507 |
5993.4 |
-67.6 |
0.048 |
88 |
27 |
0 |
0.493 |
2 |
|
B |
641 |
154 |
22006 |
◊ |
A |
x,y,z |
1_555 |
632 |
152 |
24557 |
5974.2 |
-66.3 |
0.049 |
86 |
23 |
0 |
0.493 |
Average: |
5983.8 |
-67.0 |
0.049 |
87 |
25 |
0 |
0.493 |
2 |
3 |
|
E |
329 |
74 |
21966 |
◊ |
A |
x,y,z |
1_555 |
297 |
66 |
24557 |
3026.4 |
-31.9 |
0.132 |
43 |
24 |
0 |
0.361 |
4 |
|
B |
334 |
76 |
22006 |
◊ |
D |
x,y,z |
1_555 |
299 |
66 |
24507 |
3020.2 |
-31.0 |
0.154 |
43 |
24 |
0 |
0.361 |
Average: |
3023.3 |
-31.4 |
0.143 |
43 |
24 |
0 |
0.361 |
3 |
5 |
|
C |
99 |
27 |
6355 |
◊ |
A |
x,y,z |
1_555 |
117 |
35 |
24557 |
944.5 |
-6.6 |
0.537 |
12 |
3 |
0 |
0.169 |
6 |
|
F |
92 |
25 |
6528 |
◊ |
D |
x,y,z |
1_555 |
119 |
37 |
24507 |
914.1 |
-7.8 |
0.463 |
10 |
1 |
0 |
0.169 |
Average: |
929.3 |
-7.2 |
0.500 |
11 |
2 |
0 |
0.169 |
4 |
7 |
|
D |
81 |
25 |
24507 |
◊ |
A |
x,y,z |
1_555 |
81 |
26 |
24557 |
786.8 |
2.3 |
0.868 |
12 |
3 |
0 |
0.006 |
5 |
8 |
|
F |
63 |
20 |
6528 |
◊ |
E |
x,y,z |
1_555 |
61 |
20 |
21966 |
570.2 |
-7.3 |
0.261 |
5 |
0 |
0 |
0.104 |
9 |
|
C |
64 |
21 |
6355 |
◊ |
B |
x,y,z |
1_555 |
62 |
19 |
22006 |
562.8 |
-7.4 |
0.257 |
5 |
0 |
0 |
0.104 |
Average: |
566.5 |
-7.4 |
0.259 |
5 |
0 |
0 |
0.104 |
6 |
10 |
|
[SRM]A:503 |
49 |
1 |
1049 |
f |
B |
x,y,z |
1_555 |
82 |
28 |
22006 |
557.4 |
-10.1 |
0.795 |
18 |
0 |
0 |
0.202 |
11 |
|
[SRM]D:503 |
50 |
1 |
1041 |
f |
E |
x,y,z |
1_555 |
78 |
28 |
21966 |
555.8 |
-9.7 |
0.802 |
20 |
0 |
0 |
0.202 |
Average: |
556.6 |
-9.9 |
0.799 |
19 |
0 |
0 |
0.202 |
7 |
12 |
|
E |
54 |
15 |
21966 |
◊ |
B |
x,y,z |
1_555 |
55 |
15 |
22006 |
519.1 |
-1.6 |
0.687 |
12 |
3 |
0 |
0.013 |
8 |
13 |
|
[SRM]B:503 |
54 |
1 |
1041 |
◊ |
A |
x,y,z |
1_555 |
67 |
25 |
24557 |
486.1 |
-8.2 |
0.920 |
18 |
0 |
0 |
0.232 |
14 |
|
[SRM]E:503 |
56 |
1 |
1042 |
◊ |
D |
x,y,z |
1_555 |
69 |
25 |
24507 |
482.7 |
-8.9 |
0.933 |
19 |
0 |
0 |
0.232 |
Average: |
484.4 |
-8.6 |
0.927 |
19 |
0 |
0 |
0.232 |
9 |
15 |
|
[SRM]D:503 |
44 |
1 |
1041 |
◊ |
D |
x,y,z |
1_555 |
47 |
18 |
24507 |
330.1 |
-9.1 |
0.460 |
2 |
0 |
0 |
0.045 |
16 |
|
[SRM]A:503 |
44 |
1 |
1049 |
◊ |
A |
x,y,z |
1_555 |
46 |
18 |
24557 |
320.7 |
-8.9 |
0.484 |
2 |
0 |
0 |
0.045 |
Average: |
325.4 |
-9.0 |
0.472 |
2 |
0 |
0 |
0.045 |
10 |
17 |
|
[SRM]B:503 |
44 |
1 |
1041 |
◊ |
B |
x,y,z |
1_555 |
43 |
16 |
22006 |
307.4 |
-9.9 |
0.396 |
5 |
0 |
0 |
0.132 |
18 |
|
[SRM]E:503 |
45 |
1 |
1042 |
◊ |
E |
x,y,z |
1_555 |
44 |
16 |
21966 |
307.3 |
-9.9 |
0.411 |
4 |
0 |
0 |
0.132 |
Average: |
307.4 |
-9.9 |
0.403 |
5 |
0 |
0 |
0.132 |
11 |
19 |
|
F |
23 |
7 |
6528 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
32 |
10 |
6355 |
236.3 |
-1.2 |
0.556 |
3 |
1 |
0 |
0.000 |
12 |
20 |
|
E |
22 |
5 |
21966 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
23 |
8 |
22006 |
198.4 |
-2.0 |
0.439 |
0 |
0 |
0 |
0.000 |
21 |
|
E |
23 |
8 |
21966 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
22 |
5 |
22006 |
192.1 |
-2.0 |
0.447 |
0 |
0 |
0 |
0.000 |
Average: |
195.2 |
-2.0 |
0.443 |
0 |
0 |
0 |
0.000 |
13 |
22 |
|
[SF4]B:501 |
8 |
1 |
311 |
f |
B |
x,y,z |
1_555 |
27 |
14 |
22006 |
184.2 |
-21.5 |
0.456 |
0 |
0 |
0 |
0.234 |
14 |
23 |
|
[SF4]E:501 |
8 |
1 |
310 |
f |
E |
x,y,z |
1_555 |
25 |
14 |
21966 |
183.2 |
-21.4 |
0.445 |
0 |
0 |
0 |
0.233 |
15 |
24 |
|
[SF4]D:501 |
8 |
1 |
309 |
f |
D |
x,y,z |
1_555 |
28 |
16 |
24507 |
180.3 |
-20.6 |
0.296 |
1 |
0 |
0 |
0.281 |
25 |
|
[SF4]A:501 |
8 |
1 |
309 |
f |
A |
x,y,z |
1_555 |
27 |
15 |
24557 |
179.9 |
-20.5 |
0.294 |
0 |
0 |
0 |
0.281 |
Average: |
180.1 |
-20.6 |
0.295 |
1 |
0 |
0 |
0.281 |
16 |
26 |
|
E |
21 |
5 |
21966 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
18 |
5 |
24557 |
170.2 |
-1.8 |
0.406 |
1 |
0 |
0 |
0.000 |
27 |
|
D |
16 |
5 |
24507 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
21 |
5 |
22006 |
163.6 |
-1.9 |
0.366 |
1 |
0 |
0 |
0.000 |
Average: |
166.9 |
-1.9 |
0.386 |
1 |
0 |
0 |
0.000 |
17 |
28 |
|
[SF4]D:502 |
8 |
1 |
305 |
f |
D |
x,y,z |
1_555 |
24 |
12 |
24507 |
158.1 |
-17.5 |
0.212 |
2 |
0 |
0 |
0.253 |
29 |
|
[SF4]A:502 |
8 |
1 |
306 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
24557 |
157.2 |
-17.6 |
0.230 |
2 |
0 |
0 |
0.253 |
Average: |
157.7 |
-17.5 |
0.221 |
2 |
0 |
0 |
0.253 |
18 |
30 |
|
[SF4]B:502 |
8 |
1 |
308 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
22006 |
147.1 |
-16.1 |
0.272 |
2 |
0 |
0 |
0.185 |
19 |
31 |
|
[SF4]E:502 |
8 |
1 |
307 |
f |
E |
x,y,z |
1_555 |
21 |
11 |
21966 |
146.9 |
-16.1 |
0.268 |
3 |
0 |
0 |
0.190 |
20 |
32 |
|
D |
12 |
4 |
24507 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
15 |
6 |
22006 |
106.2 |
0.6 |
0.745 |
1 |
0 |
0 |
0.000 |
33 |
|
E |
15 |
6 |
21966 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
11 |
3 |
24557 |
103.0 |
0.3 |
0.698 |
1 |
0 |
0 |
0.000 |
Average: |
104.6 |
0.5 |
0.721 |
1 |
0 |
0 |
0.000 |
21 |
34 |
|
[SRM]E:503 |
11 |
1 |
1042 |
cf |
F |
x,y,z |
1_555 |
10 |
3 |
6528 |
81.0 |
-3.5 |
0.098 |
1 |
0 |
0 |
0.071 |
35 |
|
[SRM]B:503 |
11 |
1 |
1041 |
cf |
C |
x,y,z |
1_555 |
11 |
3 |
6355 |
78.1 |
-3.1 |
0.114 |
2 |
0 |
0 |
0.071 |
Average: |
79.6 |
-3.3 |
0.106 |
2 |
0 |
0 |
0.071 |
22 |
36 |
|
[SRM]B:503 |
20 |
1 |
1041 |
◊ |
[SF4]B:502 |
x,y,z |
1_555 |
4 |
1 |
308 |
67.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.066 |
23 |
37 |
|
E |
8 |
3 |
21966 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
10 |
4 |
6355 |
66.3 |
0.2 |
0.670 |
0 |
0 |
0 |
0.000 |
24 |
38 |
|
[SRM]A:503 |
23 |
1 |
1049 |
◊ |
[SF4]A:502 |
x,y,z |
1_555 |
4 |
1 |
306 |
66.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.027 |
39 |
|
[SRM]D:503 |
23 |
1 |
1041 |
◊ |
[SF4]D:502 |
x,y,z |
1_555 |
4 |
1 |
305 |
65.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
65.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.027 |
25 |
40 |
|
[SRM]E:503 |
24 |
1 |
1042 |
◊ |
[SF4]E:502 |
x,y,z |
1_555 |
5 |
1 |
307 |
65.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.066 |
26 |
41 |
|
[SO3]E:504 |
4 |
1 |
171 |
◊ |
D |
x,y,z |
1_555 |
8 |
5 |
24507 |
57.2 |
1.9 |
0.817 |
5 |
0 |
0 |
0.005 |
27 |
42 |
|
[SO3]B:504 |
4 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
24557 |
56.3 |
1.9 |
0.815 |
4 |
0 |
0 |
0.000 |
28 |
43 |
|
[SO3]B:504 |
4 |
1 |
172 |
f |
[SRM]B:503 |
x,y,z |
1_555 |
20 |
1 |
1041 |
55.9 |
-1.3 |
0.509 |
0 |
0 |
0 |
0.023 |
29 |
44 |
|
[SO3]E:504 |
4 |
1 |
171 |
f |
[SRM]E:503 |
x,y,z |
1_555 |
21 |
1 |
1042 |
55.7 |
-1.3 |
0.510 |
0 |
0 |
0 |
0.023 |
30 |
45 |
|
B |
6 |
3 |
22006 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
2 |
24557 |
28.5 |
0.4 |
0.752 |
0 |
0 |
0 |
0.000 |
31 |
46 |
|
[SO3]B:504 |
3 |
1 |
172 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
6355 |
17.2 |
-0.3 |
0.317 |
0 |
0 |
0 |
0.006 |
32 |
47 |
|
[SO3]E:504 |
3 |
1 |
171 |
f |
F |
x,y,z |
1_555 |
3 |
1 |
6528 |
16.4 |
-0.3 |
0.334 |
0 |
0 |
0 |
0.005 |
33 |
48 |
|
D |
5 |
4 |
24507 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
4 |
24557 |
15.6 |
0.2 |
0.643 |
0 |
0 |
0 |
0.000 |
49 |
|
D |
5 |
4 |
24507 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
4 |
24557 |
11.7 |
0.2 |
0.656 |
0 |
0 |
0 |
0.000 |
Average: |
13.6 |
0.2 |
0.650 |
0 |
0 |
0 |
0.000 |
34 |
50 |
|
[SO3]B:504 |
1 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
22006 |
12.1 |
-0.9 |
0.115 |
0 |
0 |
0 |
0.010 |
35 |
51 |
|
[SO3]E:504 |
1 |
1 |
171 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
21966 |
11.9 |
-0.9 |
0.118 |
0 |
0 |
0 |
0.010 |
36 |
52 |
|
[SF4]A:501 |
2 |
1 |
309 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
22006 |
10.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.004 |
53 |
|
[SF4]D:501 |
2 |
1 |
309 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
21966 |
9.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
10.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.004 |
37 |
54 |
|
[SF4]E:502 |
1 |
1 |
307 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
6528 |
9.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.008 |
38 |
55 |
|
[SF4]B:502 |
1 |
1 |
308 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6355 |
8.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.008 |
39 |
56 |
|
C |
2 |
1 |
6355 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
24507 |
8.3 |
0.2 |
0.784 |
0 |
0 |
0 |
0.000 |
57 |
|
F |
2 |
1 |
6528 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
24557 |
7.1 |
0.2 |
0.737 |
0 |
0 |
0 |
0.000 |
Average: |
7.7 |
0.2 |
0.761 |
0 |
0 |
0 |
0.000 |
40 |
58 |
|
[SF4]A:501 |
2 |
1 |
309 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
21966 |
4.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
59 |
|
[SF4]D:501 |
2 |
1 |
309 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
22006 |
3.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
Average: |
4.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
41 |
60 |
|
F |
1 |
1 |
6528 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
24557 |
2.3 |
0.1 |
0.755 |
0 |
0 |
0 |
0.000 |
42 |
61 |
|
[SO3]B:504 |
1 |
1 |
172 |
◊ |
[SF4]B:502 |
x,y,z |
1_555 |
1 |
1 |
308 |
0.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
43 |
62 |
|
[SF4]B:502 |
1 |
1 |
308 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
24557 |
0.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
63 |
|
[SO3]E:504 |
1 |
1 |
171 |
◊ |
[SF4]E:502 |
x,y,z |
1_555 |
1 |
1 |
307 |
0.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
64 |
|
[SF4]E:502 |
1 |
1 |
307 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
24507 |
0.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
65 |
|
[SF4]E:501 |
1 |
1 |
310 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
24557 |
0.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
66 |
|
[SF4]B:501 |
1 |
1 |
311 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
24507 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|