## |
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 |
643 |
168 |
22453 |
◊ |
A |
x,y,z |
1_555 |
643 |
164 |
22620 |
6396.7 |
-95.6 |
0.000 |
45 |
6 |
0 |
0.531 |
2 |
|
D |
607 |
154 |
22328 |
◊ |
B |
x,y,z |
1_555 |
608 |
155 |
22015 |
6062.5 |
-87.8 |
0.000 |
47 |
4 |
0 |
0.531 |
Average: |
6229.6 |
-91.7 |
0.000 |
46 |
5 |
0 |
0.531 |
2 |
3 |
|
A |
112 |
30 |
22620 |
x |
A |
-x-2,y-1/2,-z-1 |
2_344 |
118 |
35 |
22620 |
1008.2 |
1.4 |
0.851 |
2 |
4 |
0 |
0.000 |
3 |
4 |
|
D |
73 |
20 |
22328 |
◊ |
C |
x,y,z-1 |
1_554 |
76 |
25 |
22453 |
659.4 |
0.4 |
0.735 |
1 |
6 |
0 |
0.000 |
4 |
5 |
|
A |
61 |
13 |
22620 |
◊ |
C |
x-1,y,z |
1_455 |
61 |
13 |
22453 |
526.3 |
0.5 |
0.768 |
1 |
4 |
0 |
0.000 |
6 |
|
B |
60 |
13 |
22015 |
◊ |
D |
x-1,y,z |
1_455 |
60 |
13 |
22328 |
511.0 |
1.7 |
0.827 |
1 |
5 |
0 |
0.000 |
Average: |
518.7 |
1.1 |
0.797 |
1 |
5 |
0 |
0.000 |
5 |
7 |
|
A |
30 |
12 |
22620 |
◊ |
D |
x-1,y,z |
1_455 |
39 |
15 |
22328 |
250.2 |
0.2 |
0.656 |
0 |
0 |
0 |
0.000 |
8 |
|
C |
33 |
13 |
22453 |
◊ |
B |
x,y,z |
1_555 |
29 |
11 |
22015 |
222.3 |
1.7 |
0.822 |
1 |
1 |
0 |
0.000 |
Average: |
236.3 |
1.0 |
0.739 |
1 |
1 |
0 |
0.000 |
6 |
9 |
|
C |
20 |
4 |
22453 |
◊ |
D |
x-1,y,z |
1_455 |
31 |
11 |
22328 |
221.8 |
1.1 |
0.699 |
1 |
2 |
0 |
0.000 |
10 |
|
D |
10 |
3 |
22328 |
◊ |
C |
x,y,z |
1_555 |
21 |
6 |
22453 |
135.1 |
1.0 |
0.617 |
3 |
5 |
0 |
0.000 |
Average: |
178.5 |
1.1 |
0.658 |
2 |
4 |
0 |
0.000 |
7 |
11 |
|
B |
23 |
10 |
22015 |
x |
B |
-x-1,y-1/2,-z-2 |
2_443 |
33 |
11 |
22015 |
210.2 |
1.1 |
0.773 |
1 |
2 |
0 |
0.000 |
8 |
12 |
|
C |
21 |
6 |
22453 |
◊ |
D |
x-1,y,z+1 |
1_456 |
19 |
6 |
22328 |
175.9 |
-0.8 |
0.545 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
B |
25 |
6 |
22015 |
◊ |
D |
-x-1,y-1/2,-z-2 |
2_443 |
19 |
8 |
22328 |
167.5 |
0.1 |
0.671 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
[GOL]C:501 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
22 |
10 |
22453 |
129.8 |
-0.4 |
0.532 |
2 |
0 |
0 |
0.006 |
11 |
15 |
|
[GOL]C:502 |
5 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
22453 |
108.4 |
-0.2 |
0.592 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
[GOL]B:501 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
22015 |
107.5 |
-0.1 |
0.640 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
[GOL]D:501 |
5 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
22328 |
107.1 |
-0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
B |
11 |
5 |
22015 |
◊ |
C |
-x-2,y-1/2,-z-1 |
2_344 |
10 |
3 |
22453 |
96.1 |
-1.2 |
0.292 |
0 |
2 |
0 |
0.000 |
15 |
19 |
|
A |
8 |
4 |
22620 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
3 |
22015 |
93.8 |
0.5 |
0.528 |
0 |
0 |
0 |
0.000 |
20 |
|
B |
7 |
3 |
22015 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
22620 |
82.3 |
-0.1 |
0.427 |
0 |
0 |
0 |
0.000 |
Average: |
88.1 |
0.2 |
0.478 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
A |
19 |
6 |
22620 |
f |
[SO4]A:501 |
-x-2,y-1/2,-z-1 |
2_344 |
5 |
1 |
185 |
85.3 |
-10.5 |
0.823 |
0 |
0 |
0 |
0.048 |
17 |
22 |
|
[CL]A:505 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
22620 |
73.1 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.098 |
23 |
|
[CL]B:506 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
22015 |
71.4 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.098 |
24 |
|
[CL]D:505 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
22328 |
70.4 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.098 |
25 |
|
[CL]C:506 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
22453 |
70.4 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.098 |
Average: |
71.3 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.098 |
18 |
26 |
|
[SO4]A:501 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
22620 |
72.8 |
-9.8 |
0.833 |
1 |
0 |
0 |
0.000 |
19 |
27 |
|
[CO]D:502 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
22328 |
68.0 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.096 |
28 |
|
[CO]B:502 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
22015 |
65.4 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.096 |
29 |
|
[CO]C:503 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
22453 |
64.4 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.096 |
30 |
|
[CO]A:502 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
22620 |
63.6 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.096 |
Average: |
65.3 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.096 |
20 |
31 |
|
[CL]D:503 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
22328 |
66.9 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.084 |
32 |
|
[CL]B:504 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
22015 |
66.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.084 |
33 |
|
[CL]C:504 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
22453 |
65.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.084 |
34 |
|
[CL]A:503 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
22620 |
65.3 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.084 |
Average: |
66.1 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.084 |
21 |
35 |
|
[CL]D:504 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
22328 |
60.7 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.073 |
36 |
|
[CL]B:505 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
22015 |
60.5 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.073 |
37 |
|
[CL]A:504 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
22620 |
59.9 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.073 |
38 |
|
[CL]C:505 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
22453 |
59.8 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
60.2 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.073 |
22 |
39 |
|
[CL]B:503 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
22015 |
58.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.036 |
23 |
40 |
|
B |
5 |
1 |
22015 |
◊ |
D |
-x,y-1/2,-z-2 |
2_543 |
6 |
3 |
22328 |
54.3 |
-0.2 |
0.508 |
0 |
0 |
0 |
0.000 |
24 |
41 |
|
B |
8 |
3 |
22015 |
◊ |
[GOL]D:501 |
x-1,y,z |
1_455 |
4 |
1 |
219 |
48.2 |
0.5 |
0.649 |
0 |
0 |
0 |
0.000 |
25 |
42 |
|
A |
9 |
3 |
22620 |
◊ |
[GOL]C:502 |
x-1,y,z |
1_455 |
4 |
1 |
217 |
45.0 |
0.6 |
0.719 |
0 |
0 |
0 |
0.000 |
26 |
43 |
|
[CL]C:505 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
22620 |
43.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.048 |
44 |
|
[CL]B:505 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
11 |
3 |
22328 |
42.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.048 |
45 |
|
[CL]A:504 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
22453 |
42.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.048 |
46 |
|
[CL]D:504 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
22015 |
39.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.048 |
Average: |
41.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.048 |
27 |
47 |
|
[GOL]B:501 |
3 |
1 |
219 |
◊ |
D |
x-1,y,z |
1_455 |
8 |
3 |
22328 |
39.3 |
0.7 |
0.730 |
0 |
0 |
0 |
0.000 |
28 |
48 |
|
[CL]A:503 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
22453 |
35.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.038 |
49 |
|
[CL]C:504 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
22620 |
34.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.038 |
50 |
|
[CL]B:504 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
22328 |
34.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.038 |
51 |
|
[CL]D:503 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
22015 |
32.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
34.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.038 |
29 |
52 |
|
D |
3 |
1 |
22328 |
x |
D |
-x,y-1/2,-z-2 |
2_543 |
6 |
3 |
22328 |
32.8 |
-0.1 |
0.558 |
0 |
0 |
0 |
0.000 |
30 |
53 |
|
B |
4 |
1 |
22015 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
1 |
22620 |
30.8 |
-0.7 |
0.213 |
0 |
0 |
0 |
0.000 |
31 |
54 |
|
B |
2 |
1 |
22015 |
◊ |
A |
-x-2,y-1/2,-z-1 |
2_344 |
2 |
1 |
22620 |
16.3 |
-0.1 |
0.457 |
0 |
0 |
0 |
0.000 |
32 |
55 |
|
[CL]B:503 |
1 |
1 |
125 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
22328 |
2.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
56 |
|
C |
1 |
1 |
22453 |
◊ |
A |
-x-2,y-1/2,-z-1 |
2_344 |
1 |
1 |
22620 |
1.9 |
-0.0 |
0.573 |
0 |
0 |
0 |
0.000 |
34 |
57 |
|
[CL]C:506 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
22620 |
1.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
58 |
|
[CL]D:505 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
22015 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.001 |
Average: |
1.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
35 |
59 |
|
[CL]D:503 |
1 |
1 |
125 |
◊ |
[CL]B:504 |
x,y,z |
1_555 |
1 |
1 |
125 |
1.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
36 |
60 |
|
[CL]C:504 |
1 |
1 |
125 |
◊ |
[CL]A:503 |
x,y,z |
1_555 |
1 |
1 |
125 |
1.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
37 |
61 |
|
C |
2 |
1 |
22453 |
x |
C |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
22453 |
1.5 |
-0.0 |
0.645 |
0 |
0 |
0 |
0.000 |
|