## |
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 |
69 |
18 |
4107 |
◊ |
A |
x,y,z |
1_555 |
79 |
18 |
4247 |
689.2 |
-8.2 |
0.590 |
9 |
0 |
0 |
1.000 |
2 |
|
D |
75 |
17 |
4108 |
◊ |
C |
x,y,z |
1_555 |
80 |
18 |
4259 |
683.4 |
-7.4 |
0.598 |
13 |
0 |
0 |
1.000 |
3 |
|
F |
65 |
17 |
4430 |
◊ |
E |
x,y,z |
1_555 |
64 |
17 |
4337 |
578.6 |
-8.0 |
0.524 |
6 |
0 |
0 |
1.000 |
Average: |
650.4 |
-7.9 |
0.570 |
9 |
0 |
0 |
1.000 |
2 |
4 |
|
A |
32 |
7 |
4247 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
37 |
11 |
4108 |
346.5 |
-0.0 |
0.751 |
4 |
0 |
0 |
0.000 |
3 |
5 |
|
B |
44 |
10 |
4107 |
◊ |
C |
x,y,z-1 |
1_554 |
38 |
10 |
4259 |
337.3 |
-2.1 |
0.671 |
3 |
0 |
0 |
0.000 |
4 |
6 |
|
F |
35 |
12 |
4430 |
◊ |
D |
x,y,z |
1_555 |
28 |
7 |
4108 |
283.4 |
-5.7 |
0.241 |
0 |
0 |
0 |
0.229 |
7 |
|
D |
35 |
10 |
4108 |
◊ |
B |
x,y,z |
1_555 |
28 |
6 |
4107 |
271.2 |
-5.6 |
0.180 |
1 |
0 |
0 |
0.229 |
8 |
|
E |
29 |
9 |
4337 |
◊ |
A |
x,y,z |
1_555 |
28 |
7 |
4247 |
251.6 |
-4.0 |
0.406 |
2 |
0 |
0 |
0.229 |
9 |
|
C |
27 |
7 |
4259 |
◊ |
A |
x,y,z |
1_555 |
29 |
9 |
4247 |
241.3 |
-5.6 |
0.174 |
0 |
0 |
0 |
0.229 |
10 |
|
E |
28 |
7 |
4337 |
◊ |
C |
x,y,z |
1_555 |
27 |
9 |
4259 |
238.2 |
-3.5 |
0.420 |
1 |
0 |
0 |
0.229 |
11 |
|
F |
20 |
6 |
4430 |
◊ |
B |
x,y,z |
1_555 |
30 |
9 |
4107 |
195.6 |
-3.3 |
0.432 |
1 |
0 |
0 |
0.229 |
Average: |
246.9 |
-4.6 |
0.309 |
1 |
0 |
0 |
0.229 |
5 |
12 |
|
E |
28 |
10 |
4337 |
◊ |
B |
x,y,z |
1_555 |
26 |
10 |
4107 |
252.8 |
-4.9 |
0.297 |
0 |
0 |
0 |
0.099 |
13 |
|
D |
19 |
8 |
4108 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
4247 |
201.0 |
-5.5 |
0.121 |
0 |
0 |
0 |
0.099 |
14 |
|
F |
22 |
7 |
4430 |
◊ |
C |
x,y,z |
1_555 |
20 |
7 |
4259 |
189.5 |
-4.8 |
0.220 |
0 |
0 |
0 |
0.099 |
Average: |
214.4 |
-5.1 |
0.213 |
0 |
0 |
0 |
0.099 |
6 |
15 |
|
E |
30 |
6 |
4337 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
20 |
6 |
4107 |
225.8 |
-2.6 |
0.551 |
1 |
0 |
0 |
0.000 |
7 |
16 |
|
E |
27 |
8 |
4337 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
23 |
5 |
4430 |
217.4 |
-3.2 |
0.503 |
1 |
0 |
0 |
0.000 |
8 |
17 |
|
F |
20 |
6 |
4430 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
24 |
8 |
4107 |
209.3 |
-2.1 |
0.604 |
1 |
0 |
0 |
0.000 |
9 |
18 |
|
E |
16 |
3 |
4337 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
23 |
5 |
4247 |
165.9 |
-1.9 |
0.572 |
3 |
2 |
0 |
0.000 |
10 |
19 |
|
C |
14 |
4 |
4259 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
16 |
5 |
4108 |
140.5 |
-2.0 |
0.416 |
0 |
0 |
0 |
0.000 |
11 |
20 |
|
[CRS]E:55 |
8 |
1 |
261 |
◊ |
F |
x,y,z |
1_555 |
20 |
8 |
4430 |
138.1 |
2.7 |
0.138 |
0 |
0 |
0 |
0.000 |
12 |
21 |
|
[CRS]F:55 |
8 |
1 |
260 |
◊ |
F |
x,y,z |
1_555 |
20 |
7 |
4430 |
137.1 |
3.2 |
0.216 |
3 |
0 |
0 |
0.000 |
13 |
22 |
|
[CRS]B:56 |
8 |
1 |
264 |
◊ |
B |
x,y,z |
1_555 |
22 |
10 |
4107 |
136.6 |
4.1 |
0.243 |
3 |
0 |
0 |
0.000 |
23 |
|
[CRS]D:54 |
8 |
1 |
259 |
◊ |
D |
x,y,z |
1_555 |
15 |
8 |
4108 |
125.7 |
3.5 |
0.207 |
2 |
0 |
0 |
0.000 |
Average: |
131.2 |
3.8 |
0.225 |
3 |
0 |
0 |
0.000 |
14 |
24 |
|
[CRS]C:56 |
8 |
1 |
260 |
◊ |
C |
x,y,z |
1_555 |
20 |
9 |
4259 |
133.1 |
3.7 |
0.286 |
2 |
0 |
0 |
0.000 |
25 |
|
[CRS]E:54 |
8 |
1 |
260 |
◊ |
E |
x,y,z |
1_555 |
17 |
9 |
4337 |
131.7 |
3.7 |
0.229 |
2 |
0 |
0 |
0.000 |
26 |
|
[CRS]F:54 |
8 |
1 |
259 |
◊ |
F |
x,y,z |
1_555 |
20 |
9 |
4430 |
129.9 |
3.8 |
0.277 |
2 |
0 |
0 |
0.000 |
27 |
|
[CRS]A:54 |
8 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
21 |
9 |
4247 |
124.9 |
3.6 |
0.239 |
2 |
0 |
0 |
0.000 |
Average: |
129.9 |
3.7 |
0.258 |
2 |
0 |
0 |
0.000 |
15 |
28 |
|
E |
9 |
4 |
4337 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
9 |
3 |
4108 |
92.2 |
-0.5 |
0.623 |
1 |
0 |
0 |
0.000 |
16 |
29 |
|
[CRS]E:55 |
6 |
1 |
261 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
4337 |
87.2 |
1.8 |
0.088 |
1 |
0 |
0 |
0.000 |
17 |
30 |
|
[CRS]F:55 |
6 |
1 |
260 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
4337 |
79.8 |
1.5 |
0.085 |
0 |
0 |
0 |
0.000 |
18 |
31 |
|
[CRS]D:54 |
8 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
4107 |
71.2 |
1.4 |
0.006 |
0 |
0 |
0 |
0.000 |
19 |
32 |
|
F |
9 |
2 |
4430 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
4 |
1 |
4108 |
69.7 |
1.6 |
0.926 |
0 |
0 |
0 |
0.000 |
20 |
33 |
|
[CRS]E:54 |
8 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
4247 |
68.3 |
1.1 |
0.004 |
0 |
0 |
0 |
0.000 |
34 |
|
[CRS]F:54 |
8 |
1 |
259 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
4108 |
67.8 |
1.0 |
0.002 |
0 |
0 |
0 |
0.000 |
35 |
|
[CRS]A:54 |
8 |
1 |
261 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
4259 |
65.9 |
1.3 |
0.004 |
0 |
0 |
0 |
0.000 |
36 |
|
[CRS]C:56 |
8 |
1 |
260 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
4337 |
63.9 |
1.1 |
0.002 |
0 |
0 |
0 |
0.000 |
Average: |
66.5 |
1.1 |
0.003 |
0 |
0 |
0 |
0.000 |
21 |
37 |
|
[CRS]B:56 |
8 |
1 |
264 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
4430 |
62.1 |
1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
38 |
|
C |
10 |
3 |
4259 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
9 |
2 |
4247 |
57.6 |
0.3 |
0.756 |
0 |
0 |
0 |
0.000 |
23 |
39 |
|
F |
7 |
4 |
4430 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
3 |
4247 |
50.9 |
0.2 |
0.718 |
0 |
0 |
0 |
0.000 |
24 |
40 |
|
B |
3 |
1 |
4107 |
x |
B |
-x,y-1/2,-z-1 |
2_544 |
3 |
1 |
4107 |
36.1 |
1.3 |
0.922 |
1 |
2 |
0 |
0.000 |
25 |
41 |
|
[CL]C:55 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
4247 |
35.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.190 |
42 |
|
[CL]B:55 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
4430 |
35.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.190 |
43 |
|
[CL]B:55 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
4107 |
35.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.190 |
44 |
|
[CL]C:55 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
4259 |
34.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.190 |
45 |
|
[CL]B:55 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
4108 |
34.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.190 |
46 |
|
[CL]C:55 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
4337 |
32.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.190 |
Average: |
34.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.190 |
26 |
47 |
|
[CRS]A:54 |
1 |
1 |
261 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
4108 |
31.4 |
0.5 |
0.355 |
0 |
0 |
0 |
0.000 |
48 |
|
[CRS]E:54 |
2 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
4107 |
29.0 |
0.4 |
0.166 |
0 |
0 |
0 |
0.000 |
49 |
|
[CRS]C:56 |
1 |
1 |
260 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
4430 |
26.9 |
0.4 |
0.436 |
0 |
0 |
0 |
0.000 |
Average: |
29.1 |
0.4 |
0.319 |
0 |
0 |
0 |
0.000 |
27 |
50 |
|
E |
2 |
1 |
4337 |
x |
E |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
1 |
4337 |
28.3 |
1.0 |
0.904 |
1 |
1 |
0 |
0.000 |
28 |
51 |
|
[CRS]B:56 |
2 |
1 |
264 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
4337 |
27.9 |
0.3 |
0.112 |
0 |
0 |
0 |
0.000 |
52 |
|
[CRS]D:54 |
2 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
4247 |
26.7 |
0.3 |
0.116 |
0 |
0 |
0 |
0.000 |
Average: |
27.3 |
0.3 |
0.114 |
0 |
0 |
0 |
0.000 |
29 |
53 |
|
[ZN]C:54 |
1 |
1 |
98 |
c |
C |
x,y,z |
1_555 |
6 |
2 |
4259 |
27.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.509 |
54 |
|
[ZN]B:54 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
4430 |
27.2 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.509 |
55 |
|
[ZN]B:54 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
4108 |
27.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.509 |
56 |
|
[ZN]C:54 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
4247 |
26.8 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.509 |
57 |
|
[ZN]B:54 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
4107 |
25.1 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.509 |
58 |
|
[ZN]C:54 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
4337 |
24.8 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.509 |
Average: |
26.4 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.509 |
30 |
59 |
|
[CRS]F:54 |
3 |
1 |
259 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
4259 |
26.8 |
0.4 |
0.108 |
0 |
0 |
0 |
0.000 |
31 |
60 |
|
A |
3 |
1 |
4247 |
x |
A |
-x,y-1/2,-z |
2_545 |
3 |
2 |
4247 |
21.1 |
-0.3 |
0.518 |
0 |
0 |
0 |
0.000 |
32 |
61 |
|
E |
2 |
2 |
4337 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
4108 |
19.1 |
0.4 |
0.860 |
0 |
0 |
0 |
0.000 |
33 |
62 |
|
[CL]B:55 |
1 |
1 |
125 |
f |
[ZN]B:54 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.8 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.141 |
34 |
63 |
|
[CL]C:55 |
1 |
1 |
125 |
f |
[ZN]C:54 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.4 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.149 |
35 |
64 |
|
[CRS]F:55 |
1 |
1 |
260 |
f |
[CRS]E:55 |
x,y,z |
1_555 |
3 |
1 |
261 |
13.4 |
0.9 |
0.612 |
0 |
0 |
0 |
0.000 |
36 |
65 |
|
E |
3 |
1 |
4337 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
4259 |
9.2 |
0.0 |
0.722 |
0 |
0 |
0 |
0.000 |
37 |
66 |
|
F |
1 |
1 |
4430 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
2 |
4108 |
4.0 |
0.1 |
0.761 |
0 |
0 |
0 |
0.000 |
38 |
67 |
|
C |
3 |
1 |
4259 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
2 |
1 |
4108 |
1.1 |
-0.0 |
0.663 |
0 |
0 |
0 |
0.000 |
|