| ## |
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 |
299 |
82 |
16001 |
◊ |
A |
x,y,z |
1_555 |
301 |
81 |
16071 |
2789.8 |
-12.1 |
0.345 |
40 |
29 |
0 |
0.461 |
2 |
|
D |
284 |
75 |
15964 |
◊ |
C |
x,y,z |
1_555 |
282 |
76 |
16106 |
2638.9 |
-9.4 |
0.419 |
39 |
27 |
0 |
0.461 |
| Average: |
2714.3 |
-10.7 |
0.382 |
40 |
28 |
0 |
0.461 |
| 2 |
3 |
|
A |
96 |
35 |
16071 |
◊ |
B |
x-y,x,z |
6_555 |
93 |
34 |
16001 |
767.4 |
3.5 |
0.828 |
15 |
5 |
0 |
0.000 |
4 |
|
D |
91 |
30 |
15964 |
◊ |
C |
x-y,x,z |
6_555 |
90 |
31 |
16106 |
759.9 |
3.8 |
0.831 |
16 |
6 |
0 |
0.000 |
| Average: |
763.7 |
3.6 |
0.830 |
16 |
6 |
0 |
0.000 |
| 3 |
5 |
|
B |
46 |
13 |
16001 |
◊ |
D |
x,y,z-1 |
1_554 |
42 |
13 |
15964 |
402.9 |
-1.5 |
0.493 |
3 |
0 |
0 |
0.000 |
| 4 |
6 |
|
C |
41 |
14 |
16106 |
◊ |
A |
x,y,z |
1_555 |
53 |
16 |
16071 |
401.1 |
-5.0 |
0.195 |
0 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[PLP]D:1001 |
15 |
1 |
395 |
cf |
D |
x,y,z |
1_555 |
36 |
16 |
15964 |
264.3 |
3.0 |
0.700 |
6 |
0 |
0 |
0.000 |
8 |
|
[PLP]B:1001 |
15 |
1 |
398 |
cf |
B |
x,y,z |
1_555 |
36 |
16 |
16001 |
262.2 |
3.4 |
0.706 |
6 |
0 |
0 |
0.000 |
9 |
|
[PLP]C:1001 |
15 |
1 |
398 |
cf |
C |
x,y,z |
1_555 |
36 |
15 |
16106 |
259.3 |
3.2 |
0.706 |
7 |
0 |
0 |
0.000 |
10 |
|
[PLP]A:1001 |
15 |
1 |
393 |
cf |
A |
x,y,z |
1_555 |
37 |
17 |
16071 |
257.2 |
3.3 |
0.698 |
8 |
0 |
0 |
0.000 |
| Average: |
260.7 |
3.2 |
0.703 |
7 |
0 |
0 |
0.001 |
| 6 |
11 |
|
B |
27 |
10 |
16001 |
◊ |
B |
-x+1,-y,z |
4_655 |
27 |
10 |
16001 |
242.5 |
-3.4 |
0.220 |
0 |
0 |
0 |
0.000 |
12 |
|
A |
29 |
9 |
16071 |
◊ |
A |
-x+1,-y,z |
4_655 |
28 |
9 |
16071 |
229.3 |
-0.1 |
0.603 |
2 |
0 |
0 |
0.000 |
| Average: |
235.9 |
-1.7 |
0.412 |
1 |
0 |
0 |
0.000 |
| 7 |
13 |
|
[SO4]C:360 |
5 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
16106 |
110.1 |
-16.1 |
0.639 |
2 |
0 |
0 |
0.254 |
| 8 |
14 |
|
[SO4]B:360 |
5 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
16001 |
102.1 |
-13.4 |
0.787 |
3 |
0 |
0 |
0.113 |
| 9 |
15 |
|
[SO4]A:360 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
16071 |
101.0 |
-14.6 |
0.779 |
3 |
0 |
0 |
0.123 |
| 10 |
16 |
|
A |
11 |
4 |
16071 |
f |
[SO4]B:361 |
x-y,x,z |
6_555 |
5 |
1 |
185 |
70.7 |
-8.2 |
0.903 |
2 |
0 |
0 |
0.070 |
| 11 |
17 |
|
[SO4]B:363 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
16001 |
65.5 |
-7.7 |
0.953 |
2 |
0 |
0 |
0.066 |
| 12 |
18 |
|
D |
9 |
3 |
15964 |
f |
[SO4]C:361 |
x-y,x,z |
6_555 |
5 |
1 |
181 |
65.2 |
-7.8 |
0.903 |
2 |
0 |
0 |
0.130 |
| 13 |
19 |
|
[SO4]A:361 |
5 |
1 |
186 |
f |
B |
x-y,x,z |
6_555 |
10 |
4 |
16001 |
63.7 |
-7.1 |
0.926 |
2 |
0 |
0 |
0.062 |
| 14 |
20 |
|
[SO4]A:363 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
16071 |
63.0 |
-7.1 |
0.966 |
2 |
0 |
0 |
0.062 |
| 15 |
21 |
|
C |
9 |
4 |
16106 |
◊ |
A |
x-y,x,z |
6_555 |
9 |
4 |
16071 |
59.7 |
-1.0 |
0.370 |
0 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[PLP]D:1001 |
6 |
1 |
395 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
16106 |
55.8 |
0.6 |
0.586 |
0 |
0 |
0 |
0.000 |
23 |
|
[PLP]A:1001 |
7 |
1 |
393 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
16001 |
54.1 |
0.6 |
0.574 |
0 |
0 |
0 |
0.000 |
24 |
|
[PLP]C:1001 |
7 |
1 |
398 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
15964 |
53.8 |
0.8 |
0.609 |
0 |
0 |
0 |
0.000 |
25 |
|
[PLP]B:1001 |
7 |
1 |
398 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
16071 |
52.3 |
0.8 |
0.598 |
0 |
0 |
0 |
0.000 |
| Average: |
54.0 |
0.7 |
0.592 |
0 |
0 |
0 |
0.000 |
| 17 |
26 |
|
[SO4]A:362 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
16071 |
55.0 |
-6.3 |
0.915 |
2 |
0 |
0 |
0.056 |
| 18 |
27 |
|
[SO4]C:362 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
16106 |
51.6 |
-6.4 |
0.932 |
2 |
0 |
0 |
0.109 |
| 19 |
28 |
|
[SO4]B:360 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
16071 |
51.0 |
-7.3 |
0.559 |
0 |
0 |
0 |
0.056 |
| 20 |
29 |
|
[SO4]A:363 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
16001 |
50.4 |
-5.8 |
0.704 |
0 |
0 |
0 |
0.045 |
| 21 |
30 |
|
[SO4]B:362 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
16001 |
48.5 |
-5.2 |
0.940 |
2 |
0 |
0 |
0.000 |
| 22 |
31 |
|
[SO4]A:360 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
16001 |
48.3 |
-6.9 |
0.586 |
0 |
0 |
0 |
0.053 |
| 23 |
32 |
|
[SO4]B:363 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
16071 |
46.1 |
-5.3 |
0.789 |
0 |
0 |
0 |
0.041 |
| 24 |
33 |
|
[SO4]A:361 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
16071 |
45.1 |
-5.1 |
0.931 |
3 |
0 |
0 |
0.000 |
| 25 |
34 |
|
[SO4]C:361 |
4 |
1 |
181 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
16106 |
41.7 |
-4.1 |
0.943 |
2 |
0 |
0 |
0.000 |
| 26 |
35 |
|
[SO4]B:361 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
16001 |
38.4 |
-4.2 |
0.944 |
2 |
0 |
0 |
0.000 |
| 27 |
36 |
|
[SO4]C:360 |
2 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
15964 |
36.4 |
-4.8 |
0.773 |
0 |
0 |
0 |
0.072 |
| 28 |
37 |
|
[SO4]B:363 |
1 |
1 |
185 |
f |
[SO4]B:360 |
x,y,z |
1_555 |
1 |
1 |
182 |
1.7 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.003 |
|