## |
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 |
|
C |
43 |
7 |
3164 |
◊ |
A |
x,y,z |
1_555 |
43 |
7 |
3143 |
340.3 |
2.8 |
0.956 |
6 |
0 |
0 |
0.000 |
2 |
|
D |
43 |
7 |
3127 |
◊ |
B |
x,y,z |
1_555 |
42 |
7 |
3150 |
336.7 |
2.8 |
0.956 |
8 |
0 |
0 |
0.000 |
Average: |
338.5 |
2.8 |
0.956 |
7 |
0 |
0 |
0.000 |
2 |
3 |
|
B |
32 |
7 |
3150 |
◊ |
A |
x,y-1,z |
1_545 |
28 |
5 |
3143 |
248.9 |
-8.4 |
0.511 |
0 |
0 |
0 |
0.183 |
3 |
4 |
|
[CBV]A:2 |
22 |
1 |
465 |
cf |
A |
x,y,z |
1_555 |
33 |
5 |
3143 |
248.4 |
-0.2 |
0.845 |
2 |
0 |
0 |
0.059 |
5 |
|
[CBV]B:2 |
22 |
1 |
470 |
cf |
B |
x,y,z |
1_555 |
31 |
4 |
3150 |
245.4 |
-0.7 |
0.837 |
2 |
0 |
0 |
0.059 |
6 |
|
[CBV]D:2 |
21 |
1 |
460 |
cf |
D |
x,y,z |
1_555 |
31 |
5 |
3127 |
240.9 |
0.9 |
0.836 |
2 |
0 |
0 |
0.059 |
Average: |
244.9 |
-0.0 |
0.839 |
2 |
0 |
0 |
0.059 |
4 |
7 |
|
[CBV]C:2 |
21 |
1 |
462 |
cf |
C |
x,y,z |
1_555 |
32 |
5 |
3164 |
239.9 |
1.0 |
0.875 |
2 |
0 |
0 |
0.000 |
5 |
8 |
|
C |
32 |
2 |
3164 |
◊ |
B |
x,y,z |
1_555 |
31 |
2 |
3150 |
189.6 |
6.0 |
0.980 |
0 |
0 |
0 |
0.000 |
9 |
|
D |
32 |
2 |
3127 |
◊ |
A |
x-1,y-1,z |
1_445 |
31 |
2 |
3143 |
185.8 |
5.7 |
0.974 |
0 |
0 |
0 |
0.000 |
Average: |
187.7 |
5.9 |
0.977 |
0 |
0 |
0 |
0.000 |
6 |
10 |
|
B |
23 |
3 |
3150 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
23 |
5 |
3164 |
171.4 |
-1.5 |
0.701 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
D |
21 |
5 |
3127 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
21 |
3 |
3143 |
168.1 |
-0.5 |
0.727 |
1 |
0 |
0 |
0.000 |
8 |
12 |
|
[GAI]D:101 |
4 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
16 |
4 |
3127 |
99.1 |
1.3 |
0.726 |
3 |
0 |
0 |
0.000 |
9 |
13 |
|
[GAI]C:101 |
4 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
3164 |
99.0 |
1.3 |
0.728 |
3 |
0 |
0 |
0.000 |
10 |
14 |
|
[GAI]B:101 |
4 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
3150 |
97.8 |
1.3 |
0.722 |
3 |
0 |
0 |
0.000 |
15 |
|
[GAI]A:101 |
4 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
3143 |
97.7 |
1.4 |
0.726 |
3 |
0 |
0 |
0.000 |
Average: |
97.7 |
1.4 |
0.724 |
3 |
0 |
0 |
0.000 |
11 |
16 |
|
[SO4]D:103 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
4 |
3127 |
83.7 |
-12.9 |
0.792 |
1 |
0 |
0 |
0.065 |
12 |
17 |
|
D |
12 |
3 |
3127 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
1 |
3164 |
74.5 |
0.8 |
0.771 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[SO4]D:102 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
9 |
2 |
3127 |
53.0 |
-7.3 |
0.813 |
0 |
0 |
0 |
0.035 |
14 |
19 |
|
[NA]B:102 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
3150 |
51.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.166 |
15 |
20 |
|
[SO4]D:102 |
5 |
1 |
184 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
9 |
2 |
3164 |
51.3 |
-7.0 |
0.786 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[NA]A:102 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
3143 |
49.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.144 |
22 |
|
[NA]C:102 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
3164 |
46.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.144 |
Average: |
48.2 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.144 |
17 |
23 |
|
[MG]A:103 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
3143 |
44.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.141 |
18 |
24 |
|
[NA]C:102 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
3143 |
42.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.029 |
25 |
|
[NA]A:102 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
3164 |
33.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
37.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.029 |
19 |
26 |
|
D |
4 |
1 |
3127 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
7 |
2 |
3164 |
37.5 |
0.3 |
0.691 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
[NA]B:102 |
1 |
1 |
125 |
f |
[CBV]B:2 |
x,y,z |
1_555 |
6 |
1 |
470 |
34.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.081 |
21 |
28 |
|
[SO4]D:102 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
3150 |
33.4 |
-3.0 |
0.873 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
B |
8 |
4 |
3150 |
◊ |
[MG]A:103 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
31.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.096 |
23 |
30 |
|
[NA]B:103 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
3150 |
30.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.066 |
24 |
31 |
|
D |
4 |
2 |
3127 |
◊ |
[NA]A:102 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
125 |
29.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
[NA]B:103 |
1 |
1 |
125 |
f |
[CBV]B:2 |
x,y,z |
1_555 |
6 |
1 |
470 |
29.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.066 |
26 |
33 |
|
[GAI]A:101 |
1 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
3164 |
15.3 |
0.1 |
0.553 |
0 |
0 |
0 |
0.000 |
34 |
|
[GAI]B:101 |
1 |
1 |
189 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
3127 |
13.6 |
0.1 |
0.559 |
0 |
0 |
0 |
0.000 |
35 |
|
[GAI]C:101 |
1 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
3143 |
11.6 |
0.0 |
0.542 |
0 |
0 |
0 |
0.000 |
Average: |
13.5 |
0.1 |
0.552 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
[GAI]D:101 |
1 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
3150 |
13.6 |
0.2 |
0.557 |
0 |
0 |
0 |
0.000 |
28 |
37 |
|
[NA]B:103 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
3164 |
10.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
38 |
|
[CBV]B:2 |
1 |
1 |
470 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
3164 |
7.2 |
-0.3 |
0.367 |
0 |
0 |
0 |
0.000 |
39 |
|
D |
3 |
1 |
3127 |
◊ |
[CBV]A:2 |
x-1,y-1,z |
1_445 |
1 |
1 |
465 |
6.4 |
-0.2 |
0.369 |
0 |
0 |
0 |
0.000 |
Average: |
6.8 |
-0.2 |
0.368 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
[SO4]D:103 |
2 |
1 |
185 |
◊ |
[NA]A:102 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
125 |
1.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
|