| ## |
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 |
992 |
218 |
36577 |
◊ |
C |
x,y,z |
1_555 |
934 |
217 |
32904 |
9639.6 |
-122.7 |
0.002 |
93 |
22 |
0 |
0.904 |
2 |
|
B |
985 |
218 |
36231 |
◊ |
A |
x,y,z |
1_555 |
929 |
216 |
32822 |
9552.4 |
-124.5 |
0.001 |
90 |
23 |
0 |
0.904 |
| Average: |
9596.0 |
-123.6 |
0.001 |
92 |
23 |
0 |
0.904 |
| 2 |
3 |
|
O |
136 |
16 |
7011 |
◊ |
D |
x,y,z |
1_555 |
119 |
34 |
36577 |
1075.5 |
-7.6 |
0.682 |
12 |
0 |
0 |
0.059 |
4 |
|
F |
136 |
17 |
7377 |
◊ |
B |
x,y,z |
1_555 |
122 |
36 |
36231 |
1072.9 |
-10.0 |
0.593 |
11 |
0 |
0 |
0.059 |
| Average: |
1074.2 |
-8.8 |
0.637 |
12 |
0 |
0 |
0.059 |
| 3 |
5 |
|
R |
90 |
21 |
4987 |
◊ |
O |
x,y,z |
1_555 |
88 |
22 |
7011 |
930.3 |
-12.9 |
0.583 |
50 |
0 |
0 |
1.000 |
6 |
|
K |
92 |
21 |
4989 |
◊ |
F |
x,y,z |
1_555 |
90 |
22 |
7377 |
923.8 |
-13.0 |
0.600 |
47 |
0 |
0 |
1.000 |
| Average: |
927.0 |
-13.0 |
0.591 |
49 |
0 |
0 |
1.000 |
| 4 |
7 |
|
C |
59 |
13 |
32904 |
◊ |
D |
x-1,y,z |
1_455 |
51 |
14 |
36577 |
554.6 |
-6.1 |
0.290 |
2 |
1 |
0 |
0.000 |
8 |
|
B |
49 |
14 |
36231 |
◊ |
A |
x-1,y,z |
1_455 |
58 |
13 |
32822 |
532.6 |
-5.6 |
0.319 |
3 |
1 |
0 |
0.000 |
| Average: |
543.6 |
-5.8 |
0.305 |
3 |
1 |
0 |
0.000 |
| 5 |
9 |
|
M |
40 |
6 |
1023 |
◊ |
B |
x,y,z |
1_555 |
77 |
28 |
36231 |
534.4 |
-3.9 |
0.630 |
5 |
4 |
0 |
0.035 |
10 |
|
T |
34 |
5 |
868 |
◊ |
D |
x,y,z |
1_555 |
61 |
23 |
36577 |
451.9 |
-4.3 |
0.599 |
4 |
4 |
0 |
0.035 |
| Average: |
493.1 |
-4.1 |
0.614 |
5 |
4 |
0 |
0.035 |
| 6 |
11 |
|
R |
53 |
8 |
4987 |
◊ |
C |
x,y,z |
1_555 |
43 |
15 |
32904 |
459.1 |
-2.7 |
0.817 |
4 |
0 |
0 |
0.023 |
12 |
|
K |
53 |
8 |
4989 |
◊ |
A |
x,y,z |
1_555 |
43 |
15 |
32822 |
457.7 |
-3.3 |
0.798 |
6 |
0 |
0 |
0.023 |
| Average: |
458.4 |
-3.0 |
0.808 |
5 |
0 |
0 |
0.023 |
| 7 |
13 |
|
O |
53 |
11 |
7011 |
◊ |
C |
x,y,z |
1_555 |
58 |
21 |
32904 |
458.2 |
-6.6 |
0.404 |
6 |
0 |
0 |
0.037 |
14 |
|
F |
52 |
11 |
7377 |
◊ |
A |
x,y,z |
1_555 |
52 |
19 |
32822 |
442.8 |
-5.7 |
0.453 |
6 |
0 |
0 |
0.037 |
| Average: |
450.5 |
-6.2 |
0.429 |
6 |
0 |
0 |
0.037 |
| 8 |
15 |
|
B |
50 |
18 |
36231 |
◊ |
D |
x-1,y,z |
1_455 |
53 |
18 |
36577 |
454.3 |
-3.5 |
0.516 |
3 |
0 |
0 |
0.000 |
| 9 |
16 |
|
K |
48 |
8 |
4989 |
◊ |
B |
x,y,z |
1_555 |
42 |
14 |
36231 |
391.0 |
-1.7 |
0.758 |
8 |
0 |
0 |
0.021 |
17 |
|
R |
50 |
10 |
4987 |
◊ |
D |
x,y,z |
1_555 |
45 |
16 |
36577 |
387.1 |
-2.1 |
0.789 |
6 |
0 |
0 |
0.021 |
| Average: |
389.1 |
-1.9 |
0.774 |
7 |
0 |
0 |
0.021 |
| 10 |
18 |
|
D |
37 |
13 |
36577 |
◊ |
B |
x,y,z |
1_555 |
33 |
11 |
36231 |
307.5 |
-4.9 |
0.279 |
1 |
0 |
0 |
0.000 |
| 11 |
19 |
|
B |
30 |
10 |
36231 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
33 |
12 |
32904 |
235.1 |
0.4 |
0.705 |
1 |
1 |
0 |
0.000 |
| 12 |
20 |
|
C |
24 |
5 |
32904 |
◊ |
F |
x,y,z-1 |
1_554 |
19 |
2 |
7377 |
155.7 |
3.4 |
0.804 |
0 |
0 |
0 |
0.000 |
21 |
|
O |
19 |
2 |
7011 |
◊ |
A |
x,y,z-1 |
1_554 |
20 |
4 |
32822 |
137.2 |
2.1 |
0.710 |
0 |
0 |
0 |
0.000 |
| Average: |
146.5 |
2.8 |
0.757 |
0 |
0 |
0 |
0.000 |
| 13 |
22 |
|
C |
11 |
4 |
32904 |
◊ |
K |
x,y,z-1 |
1_554 |
16 |
2 |
4989 |
118.4 |
0.3 |
0.781 |
1 |
0 |
0 |
0.000 |
23 |
|
R |
16 |
2 |
4987 |
◊ |
A |
x,y,z-1 |
1_554 |
11 |
5 |
32822 |
114.7 |
0.9 |
0.820 |
1 |
0 |
0 |
0.000 |
| Average: |
116.5 |
0.6 |
0.800 |
1 |
0 |
0 |
0.000 |
| 14 |
24 |
|
B |
7 |
4 |
36231 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
32904 |
76.6 |
-2.1 |
0.149 |
0 |
0 |
0 |
0.000 |
25 |
|
D |
7 |
3 |
36577 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
32822 |
57.3 |
-1.4 |
0.242 |
0 |
0 |
0 |
0.000 |
| Average: |
66.9 |
-1.8 |
0.195 |
0 |
0 |
0 |
0.000 |
| 15 |
26 |
|
[SO4]C:601 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
32904 |
64.9 |
-8.8 |
0.843 |
4 |
0 |
0 |
0.100 |
| 16 |
27 |
|
[SO4]A:601 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
32822 |
61.8 |
-8.1 |
0.837 |
2 |
0 |
0 |
0.100 |
| 17 |
28 |
|
[SO4]C:601 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
36577 |
59.8 |
-6.2 |
0.966 |
5 |
0 |
0 |
0.045 |
| 18 |
29 |
|
[SO4]A:601 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
36231 |
57.1 |
-7.5 |
0.878 |
3 |
0 |
0 |
0.047 |
| 19 |
30 |
|
A |
6 |
4 |
32822 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
5 |
2 |
32904 |
51.8 |
0.6 |
0.763 |
1 |
0 |
0 |
0.000 |
| 20 |
31 |
|
D |
8 |
2 |
36577 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
2 |
32822 |
50.0 |
0.9 |
0.711 |
0 |
1 |
0 |
0.000 |
| 21 |
32 |
|
D |
6 |
1 |
36577 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
3 |
32904 |
49.2 |
0.6 |
0.761 |
0 |
3 |
0 |
0.000 |
| 22 |
33 |
|
C |
7 |
2 |
32904 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
3 |
32822 |
37.5 |
0.9 |
0.722 |
0 |
0 |
0 |
0.000 |
| 23 |
34 |
|
C |
2 |
1 |
32904 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
3 |
36231 |
35.8 |
-0.2 |
0.231 |
0 |
0 |
0 |
0.000 |
| 24 |
35 |
|
M |
4 |
2 |
1023 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
32822 |
30.8 |
0.6 |
0.740 |
0 |
0 |
0 |
0.000 |
36 |
|
T |
2 |
1 |
868 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
32904 |
8.0 |
0.2 |
0.736 |
0 |
0 |
0 |
0.000 |
| Average: |
19.4 |
0.4 |
0.738 |
0 |
0 |
0 |
0.000 |
| 25 |
37 |
|
C |
3 |
1 |
32904 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
32822 |
30.6 |
-1.0 |
0.222 |
0 |
0 |
0 |
0.000 |
| 26 |
38 |
|
D |
7 |
2 |
36577 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
32822 |
22.5 |
-0.8 |
0.276 |
0 |
0 |
0 |
0.000 |
| 27 |
39 |
|
C |
6 |
4 |
32904 |
◊ |
A |
x,y,z-1 |
1_554 |
4 |
3 |
32822 |
21.2 |
-0.1 |
0.621 |
0 |
0 |
0 |
0.000 |
| 28 |
40 |
|
D |
1 |
1 |
36577 |
x |
D |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
2 |
36577 |
15.5 |
0.4 |
0.738 |
0 |
0 |
0 |
0.000 |
| 29 |
41 |
|
D |
2 |
1 |
36577 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
36231 |
14.2 |
0.2 |
0.740 |
0 |
0 |
0 |
0.000 |
| 30 |
42 |
|
F |
1 |
1 |
7377 |
◊ |
A |
-x,y-1/2,-z+2 |
2_547 |
1 |
1 |
32822 |
1.2 |
-0.0 |
0.445 |
0 |
0 |
0 |
0.000 |
|