## |
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 |
121 |
27 |
43266 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
125 |
30 |
43827 |
1191.2 |
-18.4 |
0.012 |
8 |
3 |
0 |
1.000 |
2 |
|
D |
116 |
29 |
45208 |
◊ |
B |
-x-1,y-1/2,-z+1 |
2_446 |
122 |
31 |
43424 |
1124.6 |
-16.3 |
0.027 |
5 |
3 |
0 |
1.000 |
Average: |
1157.9 |
-17.3 |
0.019 |
7 |
3 |
0 |
1.000 |
2 |
3 |
|
G |
111 |
11 |
4462 |
◊ |
B |
x,y,z |
1_555 |
134 |
40 |
43424 |
970.5 |
-6.3 |
0.643 |
7 |
0 |
0 |
0.178 |
4 |
|
I |
115 |
11 |
4452 |
◊ |
C |
x,y,z |
1_555 |
131 |
41 |
43266 |
953.8 |
-7.1 |
0.635 |
10 |
0 |
0 |
0.178 |
5 |
|
E |
111 |
11 |
4401 |
◊ |
A |
x,y,z |
1_555 |
122 |
38 |
43827 |
936.6 |
-8.7 |
0.438 |
9 |
0 |
0 |
0.178 |
6 |
|
K |
90 |
11 |
4500 |
◊ |
D |
x,y,z |
1_555 |
101 |
32 |
45208 |
781.1 |
-4.3 |
0.582 |
7 |
0 |
0 |
0.178 |
Average: |
910.5 |
-6.6 |
0.575 |
8 |
0 |
0 |
0.178 |
3 |
7 |
|
D |
97 |
30 |
45208 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
90 |
28 |
45208 |
818.6 |
-2.0 |
0.387 |
8 |
3 |
0 |
0.000 |
4 |
8 |
|
C |
87 |
28 |
43266 |
◊ |
B |
x,y-1,z |
1_545 |
83 |
32 |
43424 |
781.0 |
-6.2 |
0.127 |
3 |
4 |
0 |
0.000 |
5 |
9 |
|
H |
73 |
9 |
3563 |
◊ |
B |
x,y,z |
1_555 |
94 |
33 |
43424 |
709.7 |
-9.8 |
0.459 |
14 |
0 |
0 |
1.000 |
10 |
|
J |
69 |
9 |
3547 |
◊ |
C |
x,y,z |
1_555 |
88 |
31 |
43266 |
701.6 |
-10.3 |
0.387 |
12 |
0 |
0 |
1.000 |
11 |
|
F |
70 |
9 |
3555 |
◊ |
A |
x,y,z |
1_555 |
86 |
31 |
43827 |
690.0 |
-10.2 |
0.466 |
16 |
0 |
0 |
1.000 |
12 |
|
L |
50 |
6 |
3589 |
◊ |
D |
x,y,z |
1_555 |
61 |
21 |
45208 |
465.3 |
-8.6 |
0.316 |
4 |
0 |
0 |
1.000 |
Average: |
641.7 |
-9.7 |
0.407 |
12 |
0 |
0 |
1.000 |
6 |
13 |
|
B |
72 |
20 |
43424 |
◊ |
A |
x,y,z |
1_555 |
76 |
23 |
43827 |
707.0 |
6.0 |
0.898 |
10 |
5 |
0 |
0.000 |
7 |
14 |
|
L |
71 |
15 |
3589 |
◊ |
K |
x,y,z |
1_555 |
73 |
15 |
4500 |
681.9 |
-7.7 |
0.605 |
33 |
0 |
0 |
0.615 |
15 |
|
H |
69 |
15 |
3563 |
◊ |
G |
x,y,z |
1_555 |
76 |
14 |
4462 |
673.0 |
-5.5 |
0.702 |
39 |
0 |
0 |
0.615 |
16 |
|
J |
71 |
15 |
3547 |
◊ |
I |
x,y,z |
1_555 |
68 |
15 |
4452 |
667.0 |
-6.4 |
0.673 |
42 |
0 |
0 |
0.615 |
17 |
|
F |
69 |
15 |
3555 |
◊ |
E |
x,y,z |
1_555 |
70 |
14 |
4401 |
648.1 |
-7.0 |
0.652 |
37 |
0 |
0 |
0.615 |
Average: |
667.5 |
-6.7 |
0.658 |
38 |
0 |
0 |
0.615 |
8 |
18 |
|
A |
67 |
17 |
43827 |
x |
A |
-x,y-1/2,-z |
2_545 |
69 |
24 |
43827 |
621.8 |
-3.4 |
0.284 |
4 |
3 |
0 |
0.000 |
9 |
19 |
|
D |
88 |
29 |
45208 |
◊ |
C |
x,y,z |
1_555 |
77 |
24 |
43266 |
612.4 |
2.9 |
0.802 |
3 |
1 |
0 |
0.000 |
10 |
20 |
|
C |
55 |
20 |
43266 |
◊ |
G |
-x-1,y-1/2,-z+1 |
2_446 |
35 |
3 |
4462 |
432.6 |
0.1 |
0.643 |
8 |
0 |
0 |
0.000 |
21 |
|
D |
53 |
19 |
45208 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
38 |
3 |
4401 |
432.3 |
1.0 |
0.720 |
9 |
0 |
0 |
0.000 |
Average: |
432.4 |
0.6 |
0.681 |
9 |
0 |
0 |
0.000 |
11 |
22 |
|
C |
39 |
12 |
43266 |
◊ |
B |
x,y,z |
1_555 |
48 |
17 |
43424 |
408.3 |
-1.8 |
0.399 |
1 |
0 |
0 |
0.000 |
12 |
23 |
|
I |
32 |
3 |
4452 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
52 |
18 |
43424 |
402.5 |
0.3 |
0.697 |
9 |
0 |
0 |
0.000 |
24 |
|
K |
29 |
2 |
4500 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
51 |
18 |
43827 |
389.6 |
-0.7 |
0.607 |
7 |
0 |
0 |
0.000 |
Average: |
396.1 |
-0.2 |
0.652 |
8 |
0 |
0 |
0.000 |
13 |
25 |
|
D |
33 |
10 |
45208 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
34 |
11 |
43424 |
269.8 |
-3.7 |
0.179 |
0 |
0 |
0 |
0.000 |
14 |
26 |
|
D |
24 |
6 |
45208 |
◊ |
B |
x,y-1,z |
1_545 |
37 |
13 |
43424 |
261.6 |
-1.9 |
0.281 |
0 |
0 |
0 |
0.000 |
15 |
27 |
|
C |
27 |
11 |
43266 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
37 |
11 |
43827 |
230.0 |
-1.6 |
0.387 |
1 |
0 |
0 |
0.000 |
16 |
28 |
|
[C37]K:3 |
19 |
1 |
424 |
cf |
K |
x,y,z |
1_555 |
28 |
3 |
4500 |
211.3 |
1.6 |
0.555 |
2 |
0 |
0 |
0.000 |
29 |
|
[C37]I:3 |
19 |
1 |
433 |
cf |
I |
x,y,z |
1_555 |
29 |
3 |
4452 |
206.4 |
2.5 |
0.615 |
2 |
0 |
0 |
0.000 |
30 |
|
[C37]G:3 |
18 |
1 |
438 |
cf |
G |
x,y,z |
1_555 |
30 |
3 |
4462 |
201.9 |
1.2 |
0.568 |
1 |
0 |
0 |
0.000 |
31 |
|
[C37]E:3 |
18 |
1 |
434 |
cf |
E |
x,y,z |
1_555 |
26 |
3 |
4401 |
198.3 |
2.0 |
0.590 |
2 |
0 |
0 |
0.000 |
Average: |
204.5 |
1.8 |
0.582 |
2 |
0 |
0 |
0.000 |
17 |
32 |
|
D |
23 |
9 |
45208 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
22 |
3 |
3555 |
196.1 |
-1.8 |
0.470 |
1 |
0 |
0 |
0.000 |
33 |
|
C |
15 |
5 |
43266 |
◊ |
H |
-x-1,y-1/2,-z+1 |
2_446 |
19 |
2 |
3563 |
132.1 |
0.1 |
0.404 |
0 |
0 |
0 |
0.000 |
Average: |
164.1 |
-0.9 |
0.437 |
1 |
0 |
0 |
0.000 |
18 |
34 |
|
[C37]G:3 |
12 |
1 |
438 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
43424 |
121.5 |
0.9 |
0.486 |
0 |
0 |
0 |
0.000 |
35 |
|
[C37]E:3 |
12 |
1 |
434 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
43827 |
120.5 |
0.5 |
0.427 |
0 |
0 |
0 |
0.000 |
36 |
|
[C37]I:3 |
12 |
1 |
433 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
43266 |
120.5 |
1.2 |
0.523 |
0 |
0 |
0 |
0.000 |
37 |
|
[C37]K:3 |
12 |
1 |
424 |
◊ |
D |
x,y,z |
1_555 |
20 |
8 |
45208 |
110.5 |
0.4 |
0.492 |
1 |
0 |
0 |
0.000 |
Average: |
118.2 |
0.8 |
0.482 |
0 |
0 |
0 |
0.001 |
19 |
38 |
|
B |
12 |
4 |
43424 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
5 |
43827 |
106.8 |
-0.1 |
0.572 |
1 |
1 |
0 |
0.000 |
20 |
39 |
|
D |
7 |
4 |
45208 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
43827 |
69.1 |
-0.0 |
0.455 |
0 |
0 |
0 |
0.000 |
21 |
40 |
|
A |
8 |
4 |
43827 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
11 |
3 |
4401 |
68.2 |
0.2 |
0.618 |
0 |
0 |
0 |
0.000 |
22 |
41 |
|
L |
6 |
2 |
3589 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
8 |
3 |
43424 |
62.1 |
-0.1 |
0.581 |
1 |
0 |
0 |
0.000 |
23 |
42 |
|
[C37]G:3 |
4 |
1 |
438 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
3563 |
60.9 |
0.1 |
0.485 |
3 |
0 |
0 |
0.033 |
43 |
|
[C37]I:3 |
5 |
1 |
433 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
3547 |
58.4 |
0.3 |
0.512 |
3 |
0 |
0 |
0.033 |
44 |
|
[C37]E:3 |
6 |
1 |
434 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
3555 |
58.3 |
-0.0 |
0.477 |
3 |
0 |
0 |
0.033 |
45 |
|
[C37]K:3 |
5 |
1 |
424 |
◊ |
L |
x,y,z |
1_555 |
7 |
3 |
3589 |
54.3 |
0.4 |
0.530 |
3 |
0 |
0 |
0.033 |
Average: |
58.0 |
0.2 |
0.501 |
3 |
0 |
0 |
0.033 |
24 |
46 |
|
[SO4]E:19 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
4401 |
58.7 |
-9.2 |
0.573 |
0 |
0 |
0 |
0.219 |
25 |
47 |
|
[SO4]G:19 |
4 |
1 |
187 |
f |
G |
x,y,z |
1_555 |
6 |
2 |
4462 |
58.3 |
-9.2 |
0.513 |
0 |
0 |
0 |
0.229 |
26 |
48 |
|
[SO4]I:19 |
4 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
5 |
2 |
4452 |
53.4 |
-8.1 |
0.493 |
0 |
0 |
0 |
0.199 |
27 |
49 |
|
[SO4]K:19 |
4 |
1 |
187 |
f |
K |
x,y,z |
1_555 |
6 |
2 |
4500 |
48.9 |
-7.0 |
0.587 |
0 |
0 |
0 |
0.182 |
28 |
50 |
|
[SO4]K:19 |
4 |
1 |
187 |
f |
[C37]K:3 |
x,y,z |
1_555 |
10 |
1 |
424 |
48.2 |
-5.8 |
0.655 |
2 |
0 |
0 |
0.175 |
29 |
51 |
|
C |
3 |
1 |
43266 |
◊ |
G |
x,y-1,z |
1_545 |
7 |
2 |
4462 |
45.7 |
-0.7 |
0.261 |
0 |
0 |
0 |
0.000 |
30 |
52 |
|
[SO4]E:19 |
4 |
1 |
186 |
f |
[C37]E:3 |
x,y,z |
1_555 |
8 |
1 |
434 |
42.9 |
-4.6 |
0.672 |
3 |
0 |
0 |
0.143 |
31 |
53 |
|
[SO4]G:19 |
3 |
1 |
187 |
f |
[C37]G:3 |
x,y,z |
1_555 |
9 |
1 |
438 |
38.0 |
-4.0 |
0.653 |
1 |
0 |
0 |
0.112 |
32 |
54 |
|
[SO4]I:19 |
4 |
1 |
186 |
f |
[C37]I:3 |
x,y,z |
1_555 |
6 |
1 |
433 |
36.1 |
-4.3 |
0.651 |
2 |
0 |
0 |
0.127 |
33 |
55 |
|
J |
4 |
2 |
3547 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
43424 |
35.4 |
0.4 |
0.609 |
0 |
0 |
0 |
0.000 |
34 |
56 |
|
D |
2 |
1 |
45208 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
6 |
2 |
43827 |
32.1 |
-0.7 |
0.200 |
0 |
0 |
0 |
0.000 |
35 |
57 |
|
[SO4]I:19 |
4 |
1 |
186 |
◊ |
J |
x,y,z |
1_555 |
5 |
4 |
3547 |
30.8 |
-3.0 |
0.809 |
0 |
0 |
0 |
0.073 |
36 |
58 |
|
[SO4]G:19 |
3 |
1 |
187 |
◊ |
H |
x,y,z |
1_555 |
4 |
4 |
3563 |
29.7 |
-3.0 |
0.812 |
0 |
0 |
0 |
0.074 |
37 |
59 |
|
[SO4]E:19 |
3 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
4 |
4 |
3555 |
27.7 |
-2.9 |
0.788 |
0 |
0 |
0 |
0.069 |
38 |
60 |
|
[SO4]K:19 |
2 |
1 |
187 |
◊ |
L |
x,y,z |
1_555 |
2 |
2 |
3589 |
18.8 |
-1.9 |
0.803 |
0 |
0 |
0 |
0.050 |
39 |
61 |
|
I |
2 |
1 |
4452 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
43424 |
14.2 |
-0.6 |
0.457 |
0 |
0 |
0 |
0.000 |
40 |
62 |
|
D |
3 |
1 |
45208 |
◊ |
L |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
3589 |
12.4 |
-0.4 |
0.535 |
0 |
0 |
0 |
0.000 |
41 |
63 |
|
D |
2 |
1 |
45208 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
43424 |
11.1 |
0.2 |
0.551 |
0 |
0 |
0 |
0.000 |
|