## |
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 |
77 |
20 |
6803 |
◊ |
B |
x,y,z |
1_555 |
80 |
20 |
6902 |
699.0 |
-10.0 |
0.297 |
3 |
0 |
0 |
0.081 |
2 |
|
C |
76 |
20 |
6878 |
◊ |
A |
x,y,z |
1_555 |
71 |
20 |
7270 |
683.8 |
-8.1 |
0.378 |
6 |
0 |
0 |
0.081 |
Average: |
691.4 |
-9.0 |
0.337 |
5 |
0 |
0 |
0.081 |
2 |
3 |
|
B |
70 |
21 |
6902 |
◊ |
A |
x,y,z |
1_555 |
73 |
22 |
7270 |
641.3 |
-7.5 |
0.389 |
3 |
0 |
0 |
0.060 |
4 |
|
D |
68 |
20 |
6803 |
◊ |
C |
x,y,z |
1_555 |
66 |
21 |
6878 |
609.0 |
-6.5 |
0.432 |
2 |
0 |
0 |
0.060 |
Average: |
625.2 |
-7.0 |
0.411 |
3 |
0 |
0 |
0.060 |
3 |
5 |
|
A |
35 |
12 |
7270 |
◊ |
A |
-x+2,-y,z |
2_755 |
35 |
12 |
7270 |
391.2 |
-6.7 |
0.166 |
2 |
0 |
0 |
0.014 |
4 |
6 |
|
A |
36 |
11 |
7270 |
◊ |
C |
-y+1,x-1,z+1/2 |
3_645 |
37 |
12 |
6878 |
280.8 |
-3.6 |
0.467 |
2 |
0 |
0 |
0.000 |
7 |
|
C |
28 |
9 |
6878 |
◊ |
B |
-y+1,x,z-1/2 |
3_654 |
31 |
11 |
6902 |
239.4 |
-4.6 |
0.284 |
1 |
0 |
0 |
0.000 |
Average: |
260.1 |
-4.1 |
0.376 |
2 |
0 |
0 |
0.000 |
5 |
8 |
|
B |
28 |
7 |
6902 |
◊ |
D |
-y+1,x,z+1/2 |
3_655 |
31 |
11 |
6803 |
243.4 |
-4.7 |
0.265 |
0 |
0 |
0 |
0.000 |
6 |
9 |
|
C |
19 |
6 |
6878 |
◊ |
A |
-y+1,x-1,z-1/2 |
3_644 |
17 |
7 |
7270 |
198.4 |
-5.1 |
0.093 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
[YJM]D:1325 |
16 |
1 |
434 |
f |
D |
x,y,z |
1_555 |
21 |
12 |
6803 |
193.4 |
-1.1 |
0.756 |
6 |
0 |
0 |
0.027 |
11 |
|
[YJM]A:1327 |
16 |
1 |
437 |
f |
A |
x,y,z |
1_555 |
21 |
12 |
7270 |
182.7 |
-2.1 |
0.730 |
3 |
0 |
0 |
0.027 |
Average: |
188.0 |
-1.6 |
0.743 |
5 |
0 |
0 |
0.027 |
8 |
12 |
|
[YJM]B:1326 |
16 |
1 |
434 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
6902 |
187.3 |
-1.8 |
0.738 |
5 |
0 |
0 |
0.033 |
13 |
|
[YJM]C:1326 |
16 |
1 |
435 |
f |
C |
x,y,z |
1_555 |
20 |
13 |
6878 |
187.3 |
-3.2 |
0.629 |
4 |
0 |
0 |
0.033 |
Average: |
187.3 |
-2.5 |
0.684 |
5 |
0 |
0 |
0.033 |
9 |
14 |
|
D |
15 |
3 |
6803 |
◊ |
A |
-y+1,x-1,z-1/2 |
3_644 |
15 |
6 |
7270 |
147.5 |
-2.2 |
0.366 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
[EU]A:1328 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
7270 |
95.2 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.089 |
16 |
|
[EU]B:1327 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
6902 |
94.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.089 |
17 |
|
[EU]C:1328 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
6878 |
93.9 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.089 |
Average: |
94.5 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.089 |
11 |
18 |
|
C |
9 |
3 |
6878 |
◊ |
C |
-x+2,-y,z |
2_755 |
9 |
3 |
6878 |
92.9 |
1.3 |
0.863 |
0 |
0 |
0 |
0.000 |
12 |
19 |
|
B |
7 |
3 |
6902 |
◊ |
C |
-y+1,x-1,z+1/2 |
3_645 |
9 |
4 |
6878 |
78.9 |
-1.3 |
0.273 |
0 |
0 |
0 |
0.000 |
20 |
|
D |
6 |
3 |
6803 |
◊ |
B |
-y+1,x,z-1/2 |
3_654 |
9 |
4 |
6902 |
75.5 |
-1.3 |
0.259 |
0 |
0 |
0 |
0.000 |
Average: |
77.2 |
-1.3 |
0.266 |
0 |
0 |
0 |
0.000 |
13 |
21 |
|
[CL]A:1330 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
7270 |
77.8 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.129 |
22 |
|
[CL]C:1331 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
6878 |
74.8 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.129 |
23 |
|
[CL]B:1329 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
6902 |
73.3 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.129 |
Average: |
75.3 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.129 |
14 |
24 |
|
A |
6 |
3 |
7270 |
◊ |
D |
-y+1,x,z+1/2 |
3_655 |
10 |
4 |
6803 |
76.2 |
-1.7 |
0.204 |
0 |
0 |
0 |
0.000 |
15 |
25 |
|
[EU]C:1329 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
6878 |
75.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.031 |
26 |
|
[EU]A:2000 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
6902 |
66.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
70.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.031 |
16 |
27 |
|
[EU]C:1329 |
1 |
1 |
216 |
f |
[YJM]C:1326 |
x,y,z |
1_555 |
9 |
1 |
435 |
71.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.029 |
28 |
|
[EU]A:2000 |
1 |
1 |
216 |
f |
[YJM]B:1326 |
x,y,z |
1_555 |
9 |
1 |
434 |
56.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
63.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.029 |
17 |
29 |
|
[EU]B:1327 |
1 |
1 |
216 |
f |
[YJM]B:1326 |
x,y,z |
1_555 |
6 |
1 |
434 |
59.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.025 |
30 |
|
[EU]C:1328 |
1 |
1 |
216 |
f |
[YJM]C:1326 |
x,y,z |
1_555 |
6 |
1 |
435 |
59.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.025 |
31 |
|
[EU]A:1328 |
1 |
1 |
216 |
f |
[YJM]A:1327 |
x,y,z |
1_555 |
6 |
1 |
437 |
58.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.025 |
Average: |
59.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.025 |
18 |
32 |
|
[CL]B:1331 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
6902 |
58.9 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.030 |
19 |
33 |
|
[CL]D:1329 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
6803 |
55.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.049 |
34 |
|
[CL]B:1332 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
6902 |
52.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.049 |
Average: |
54.0 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.049 |
20 |
35 |
|
[CL]C:1332 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
6878 |
53.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.028 |
21 |
36 |
|
[CL]C:1330 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
6878 |
50.9 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.026 |
22 |
37 |
|
B |
8 |
3 |
6902 |
◊ |
B |
-x+1,-y,z |
2_655 |
8 |
3 |
6902 |
50.4 |
0.8 |
0.819 |
0 |
0 |
0 |
0.000 |
38 |
|
D |
4 |
2 |
6803 |
◊ |
D |
-x+1,-y+1,z |
2_665 |
4 |
2 |
6803 |
45.3 |
1.1 |
0.886 |
0 |
0 |
0 |
0.000 |
Average: |
47.8 |
0.9 |
0.852 |
0 |
0 |
0 |
0.000 |
23 |
39 |
|
[CL]D:1327 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
6803 |
47.3 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.045 |
40 |
|
[CL]B:1333 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
6902 |
44.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.045 |
Average: |
46.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.045 |
24 |
41 |
|
C |
8 |
4 |
6878 |
◊ |
[EU]A:2000 |
-y+1,x,z-1/2 |
3_654 |
1 |
1 |
216 |
47.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
|
A |
4 |
2 |
7270 |
◊ |
[EU]C:1329 |
-y+1,x-1,z+1/2 |
3_645 |
1 |
1 |
216 |
39.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
43.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
43 |
|
[CL]D:1328 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
6803 |
47.2 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.050 |
44 |
|
[CL]B:1330 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
6902 |
45.8 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.050 |
Average: |
46.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.050 |
26 |
45 |
|
D |
4 |
3 |
6803 |
◊ |
D |
-x+1,-y,z |
2_655 |
4 |
3 |
6803 |
46.3 |
0.8 |
0.844 |
0 |
0 |
0 |
0.000 |
27 |
46 |
|
[EU]B:2000 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
7270 |
45.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.018 |
47 |
|
[EU]B:2000 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
6902 |
43.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
44.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.018 |
28 |
48 |
|
A |
7 |
4 |
7270 |
◊ |
[YJM]C:1326 |
-y+1,x-1,z+1/2 |
3_645 |
6 |
1 |
435 |
44.0 |
0.8 |
0.835 |
1 |
0 |
0 |
0.000 |
29 |
49 |
|
D |
7 |
3 |
6803 |
◊ |
[YJM]A:1327 |
-y+1,x-1,z-1/2 |
3_644 |
4 |
1 |
437 |
42.4 |
-0.2 |
0.562 |
0 |
0 |
0 |
0.000 |
30 |
50 |
|
C |
7 |
3 |
6878 |
◊ |
[YJM]B:1326 |
-y+1,x,z-1/2 |
3_654 |
6 |
1 |
434 |
40.8 |
-0.1 |
0.600 |
0 |
0 |
0 |
0.000 |
31 |
51 |
|
[CL]C:1330 |
1 |
1 |
125 |
◊ |
B |
-y+1,x,z-1/2 |
3_654 |
5 |
3 |
6902 |
32.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
52 |
|
[CA]B:1328 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
6902 |
32.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.128 |
53 |
|
[CA]C:1327 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
6878 |
32.1 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.128 |
54 |
|
[CA]A:1329 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
7270 |
32.0 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.128 |
55 |
|
[CA]D:1326 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
6803 |
31.1 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.128 |
Average: |
31.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.128 |
33 |
56 |
|
[CL]D:1327 |
1 |
1 |
125 |
◊ |
B |
-y+1,x,z-1/2 |
3_654 |
2 |
1 |
6902 |
26.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
|
[CL]B:1333 |
1 |
1 |
125 |
◊ |
C |
-y+1,x-1,z+1/2 |
3_645 |
3 |
2 |
6878 |
26.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
26.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
58 |
|
[CA]D:1326 |
1 |
1 |
85 |
f |
[YJM]D:1325 |
x,y,z |
1_555 |
4 |
1 |
434 |
26.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.055 |
59 |
|
[CA]B:1328 |
1 |
1 |
85 |
f |
[YJM]B:1326 |
x,y,z |
1_555 |
4 |
1 |
434 |
25.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.055 |
60 |
|
[CA]C:1327 |
1 |
1 |
85 |
f |
[YJM]C:1326 |
x,y,z |
1_555 |
4 |
1 |
435 |
24.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.055 |
61 |
|
[CA]A:1329 |
1 |
1 |
85 |
f |
[YJM]A:1327 |
x,y,z |
1_555 |
4 |
1 |
437 |
24.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.055 |
Average: |
25.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.055 |
35 |
62 |
|
[CL]C:1330 |
1 |
1 |
125 |
◊ |
[EU]A:2000 |
-y+1,x,z-1/2 |
3_654 |
1 |
1 |
216 |
25.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
63 |
|
[CL]D:1328 |
1 |
1 |
125 |
f |
[CL]D:1327 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.019 |
37 |
64 |
|
[CL]B:1333 |
1 |
1 |
125 |
f |
[CL]B:1330 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.018 |
38 |
65 |
|
[CL]D:1329 |
1 |
1 |
125 |
f |
[CL]D:1328 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.017 |
39 |
66 |
|
[CL]B:1332 |
1 |
1 |
125 |
f |
[CL]B:1330 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.017 |
40 |
67 |
|
[CL]B:1332 |
1 |
1 |
125 |
◊ |
C |
-y+1,x-1,z+1/2 |
3_645 |
2 |
1 |
6878 |
22.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
68 |
|
[CL]D:1329 |
1 |
1 |
125 |
◊ |
B |
-y+1,x,z-1/2 |
3_654 |
1 |
1 |
6902 |
20.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
69 |
|
[CL]B:1330 |
1 |
1 |
125 |
◊ |
C |
-y+1,x-1,z+1/2 |
3_645 |
2 |
1 |
6878 |
20.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
70 |
|
[CL]D:1328 |
1 |
1 |
125 |
◊ |
B |
-y+1,x,z-1/2 |
3_654 |
2 |
1 |
6902 |
19.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
20.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
71 |
|
B |
5 |
3 |
6902 |
◊ |
[YJM]D:1325 |
-y+1,x,z+1/2 |
3_655 |
2 |
1 |
434 |
13.0 |
-0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
42 |
72 |
|
[CL]B:1333 |
1 |
1 |
125 |
f |
[CL]B:1332 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.009 |
43 |
73 |
|
[CL]D:1329 |
1 |
1 |
125 |
f |
[CL]D:1327 |
x,y,z |
1_555 |
1 |
1 |
125 |
9.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.007 |
44 |
74 |
|
[CL]A:1330 |
1 |
1 |
125 |
◊ |
A |
-x+2,-y,z |
2_755 |
1 |
1 |
7270 |
8.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.003 |
|