## |
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 |
|
F |
143 |
38 |
10608 |
◊ |
C |
x,y,z |
1_555 |
151 |
39 |
10328 |
1327.6 |
-7.2 |
0.687 |
19 |
14 |
0 |
0.312 |
2 |
|
E |
135 |
38 |
10219 |
◊ |
D |
x,y,z |
1_555 |
140 |
39 |
10331 |
1270.3 |
-11.0 |
0.711 |
16 |
8 |
0 |
0.312 |
3 |
|
B |
144 |
38 |
10504 |
◊ |
A |
x,y,z |
1_555 |
139 |
38 |
10524 |
1263.1 |
-8.0 |
0.769 |
17 |
11 |
0 |
0.312 |
Average: |
1287.0 |
-8.8 |
0.722 |
17 |
11 |
0 |
0.312 |
2 |
4 |
|
B |
58 |
16 |
10504 |
◊ |
A |
-x+1,-y,z-1/2 |
4_654 |
59 |
15 |
10524 |
569.1 |
-3.2 |
0.622 |
4 |
3 |
0 |
0.000 |
3 |
5 |
|
D |
63 |
17 |
10331 |
◊ |
E |
x-y,x-1,z+1/6 |
6_545 |
58 |
16 |
10219 |
562.7 |
-3.7 |
0.742 |
4 |
0 |
0 |
0.000 |
4 |
6 |
|
E |
56 |
12 |
10219 |
◊ |
A |
x,y,z |
1_555 |
49 |
11 |
10524 |
469.8 |
-5.4 |
0.323 |
3 |
0 |
0 |
0.000 |
7 |
|
F |
51 |
13 |
10608 |
◊ |
C |
-y+1,x-y,z+1/3 |
2_655 |
50 |
11 |
10328 |
456.0 |
-5.5 |
0.159 |
2 |
0 |
0 |
0.000 |
8 |
|
F |
47 |
11 |
10608 |
◊ |
A |
x,y,z |
1_555 |
52 |
13 |
10524 |
437.1 |
-5.6 |
0.294 |
4 |
0 |
0 |
0.000 |
Average: |
454.3 |
-5.5 |
0.259 |
3 |
0 |
0 |
0.000 |
5 |
9 |
|
C |
18 |
6 |
10328 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
19 |
8 |
10504 |
195.8 |
-4.9 |
0.099 |
0 |
0 |
0 |
0.000 |
6 |
10 |
|
[AMP]F:1202 |
18 |
1 |
409 |
◊ |
F |
x,y,z |
1_555 |
22 |
6 |
10608 |
167.4 |
1.7 |
0.422 |
1 |
0 |
0 |
0.000 |
11 |
|
[AMP]B:1201 |
19 |
1 |
448 |
◊ |
B |
x,y,z |
1_555 |
23 |
7 |
10504 |
167.1 |
1.4 |
0.733 |
1 |
0 |
0 |
0.000 |
Average: |
167.3 |
1.6 |
0.578 |
1 |
0 |
0 |
0.000 |
7 |
12 |
|
[AMP]C:1199 |
17 |
1 |
407 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
10328 |
154.3 |
3.0 |
0.541 |
1 |
0 |
0 |
0.000 |
8 |
13 |
|
[SO4]A:1199 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
10524 |
104.7 |
-15.7 |
0.814 |
7 |
0 |
0 |
0.218 |
9 |
14 |
|
[SO4]F:1199 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
23 |
12 |
10608 |
102.7 |
-15.7 |
0.773 |
6 |
0 |
0 |
0.290 |
10 |
15 |
|
[SO4]E:1198 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
19 |
11 |
10219 |
99.6 |
-15.6 |
0.850 |
6 |
0 |
0 |
0.294 |
11 |
16 |
|
[SO4]D:1197 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
16 |
10 |
10331 |
99.4 |
-16.3 |
0.833 |
6 |
0 |
0 |
0.307 |
12 |
17 |
|
[SO4]B:1199 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
10504 |
96.0 |
-14.8 |
0.816 |
5 |
0 |
0 |
0.198 |
13 |
18 |
|
[SO4]C:1198 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
10328 |
95.0 |
-14.6 |
0.790 |
6 |
0 |
0 |
0.272 |
14 |
19 |
|
[CL]F:1200 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
10608 |
67.1 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.148 |
15 |
20 |
|
[SO4]A:1200 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
10504 |
62.7 |
-8.9 |
0.605 |
0 |
0 |
0 |
0.103 |
16 |
21 |
|
D |
9 |
5 |
10331 |
◊ |
B |
x-y,x-1,z+1/6 |
6_545 |
9 |
4 |
10504 |
61.2 |
1.1 |
0.871 |
1 |
0 |
0 |
0.000 |
17 |
22 |
|
[SO4]A:1200 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
10524 |
57.6 |
-8.2 |
0.638 |
1 |
0 |
0 |
0.100 |
18 |
23 |
|
[CL]B:1200 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
10504 |
56.9 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.076 |
19 |
24 |
|
[CL]A:1201 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
10524 |
44.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.087 |
25 |
|
[CL]E:1199 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
7 |
4 |
10219 |
42.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.087 |
Average: |
43.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.087 |
20 |
26 |
|
[CL]E:1199 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
10524 |
37.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
|
[CL]A:1201 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
10608 |
33.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
35.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
28 |
|
[CL]F:1201 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
10608 |
34.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.053 |
22 |
29 |
|
[CL]F:1201 |
1 |
1 |
125 |
◊ |
C |
-y+1,x-y,z+1/3 |
2_655 |
2 |
1 |
10328 |
29.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
[CL]B:1200 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
10524 |
26.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.035 |
24 |
31 |
|
[CL]F:1200 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
10328 |
26.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.027 |
25 |
32 |
|
[AMP]C:1199 |
3 |
1 |
407 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
10608 |
17.1 |
0.5 |
0.546 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[AMP]B:1201 |
2 |
1 |
448 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
10524 |
6.8 |
0.1 |
0.576 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
[CL]B:1200 |
1 |
1 |
125 |
f |
[SO4]B:1199 |
x,y,z |
1_555 |
1 |
1 |
183 |
6.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.017 |
28 |
35 |
|
[AMP]F:1202 |
2 |
1 |
409 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
10328 |
6.4 |
0.2 |
0.530 |
0 |
0 |
0 |
0.000 |
|