## |
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 |
|
S |
172 |
52 |
11110 |
◊ |
R |
x,y,z |
1_555 |
193 |
53 |
11540 |
1662.6 |
-23.0 |
0.051 |
12 |
0 |
0 |
1.000 |
2 |
|
K |
176 |
51 |
11179 |
◊ |
J |
x,y,z |
1_555 |
186 |
52 |
11370 |
1614.2 |
-21.4 |
0.068 |
15 |
2 |
0 |
1.000 |
3 |
|
W |
178 |
51 |
11109 |
◊ |
V |
x,y,z |
1_555 |
183 |
50 |
11294 |
1614.1 |
-23.5 |
0.041 |
15 |
1 |
0 |
1.000 |
4 |
|
Q |
167 |
50 |
11170 |
◊ |
P |
x,y,z |
1_555 |
180 |
50 |
11378 |
1611.1 |
-21.6 |
0.054 |
14 |
2 |
0 |
1.000 |
5 |
|
U |
173 |
49 |
11245 |
◊ |
T |
x,y,z |
1_555 |
181 |
53 |
11429 |
1603.3 |
-21.8 |
0.065 |
14 |
1 |
0 |
1.000 |
6 |
|
M |
174 |
53 |
11122 |
◊ |
L |
x,y,z |
1_555 |
175 |
50 |
11377 |
1591.1 |
-21.5 |
0.058 |
15 |
2 |
0 |
1.000 |
7 |
|
B |
170 |
51 |
11317 |
◊ |
A |
x,y,z |
1_555 |
176 |
51 |
11521 |
1578.9 |
-21.7 |
0.059 |
11 |
1 |
0 |
1.000 |
Average: |
1610.8 |
-22.1 |
0.057 |
14 |
1 |
0 |
1.000 |
2 |
8 |
|
X |
89 |
27 |
8477 |
◊ |
F |
x,y,z |
1_555 |
92 |
28 |
8599 |
864.6 |
-4.6 |
0.533 |
9 |
0 |
0 |
0.000 |
9 |
|
G |
89 |
25 |
8287 |
◊ |
I |
x,y,z-1 |
1_554 |
90 |
26 |
8321 |
862.8 |
-4.2 |
0.522 |
10 |
0 |
0 |
0.000 |
10 |
|
D |
89 |
27 |
8683 |
◊ |
N |
-x+1,y-1/2,-z |
2_645 |
88 |
25 |
9085 |
862.5 |
-4.4 |
0.543 |
8 |
0 |
0 |
0.000 |
11 |
|
E |
85 |
25 |
8642 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
82 |
24 |
8494 |
833.4 |
-4.1 |
0.513 |
8 |
0 |
0 |
0.000 |
Average: |
855.8 |
-4.3 |
0.528 |
9 |
0 |
0 |
0.000 |
3 |
12 |
|
Z |
88 |
23 |
6150 |
◊ |
Y |
x,y,z |
1_555 |
88 |
24 |
5607 |
755.6 |
-11.3 |
0.124 |
8 |
0 |
0 |
1.000 |
4 |
13 |
|
Y |
73 |
17 |
5607 |
◊ |
X |
x,y,z |
1_555 |
65 |
22 |
8477 |
625.7 |
-3.7 |
0.491 |
8 |
0 |
0 |
0.000 |
5 |
14 |
|
T |
72 |
17 |
11429 |
◊ |
I |
x,y,z |
1_555 |
66 |
23 |
8321 |
619.6 |
-3.6 |
0.422 |
8 |
0 |
0 |
0.000 |
15 |
|
J |
71 |
16 |
11370 |
◊ |
D |
x,y,z |
1_555 |
63 |
22 |
8683 |
614.6 |
-3.5 |
0.435 |
8 |
0 |
0 |
0.000 |
16 |
|
A |
72 |
16 |
11521 |
◊ |
N |
x,y,z |
1_555 |
63 |
23 |
9085 |
609.8 |
-3.2 |
0.475 |
7 |
1 |
0 |
0.000 |
17 |
|
L |
68 |
16 |
11377 |
◊ |
E |
x,y,z |
1_555 |
62 |
21 |
8642 |
605.2 |
-3.4 |
0.430 |
8 |
0 |
0 |
0.000 |
18 |
|
R |
67 |
16 |
11540 |
◊ |
H |
x,y,z |
1_555 |
60 |
18 |
8494 |
604.9 |
-3.2 |
0.438 |
8 |
0 |
0 |
0.000 |
19 |
|
V |
69 |
16 |
11294 |
◊ |
F |
x,y,z |
1_555 |
57 |
18 |
8599 |
590.9 |
-3.6 |
0.422 |
8 |
0 |
0 |
0.000 |
20 |
|
P |
67 |
16 |
11378 |
◊ |
G |
x,y,z |
1_555 |
60 |
18 |
8287 |
573.8 |
-4.7 |
0.343 |
8 |
0 |
0 |
0.000 |
Average: |
602.7 |
-3.6 |
0.424 |
8 |
0 |
0 |
0.000 |
6 |
21 |
|
Q |
45 |
16 |
11170 |
◊ |
G |
x,y,z |
1_555 |
53 |
15 |
8287 |
455.4 |
0.2 |
0.683 |
7 |
3 |
0 |
0.000 |
22 |
|
S |
41 |
15 |
11110 |
◊ |
H |
x,y,z |
1_555 |
52 |
15 |
8494 |
445.5 |
0.1 |
0.637 |
7 |
5 |
0 |
0.000 |
23 |
|
W |
43 |
15 |
11109 |
◊ |
F |
x,y,z |
1_555 |
50 |
14 |
8599 |
441.4 |
0.2 |
0.692 |
8 |
6 |
0 |
0.000 |
24 |
|
K |
41 |
14 |
11179 |
◊ |
D |
x,y,z |
1_555 |
48 |
12 |
8683 |
428.7 |
0.0 |
0.630 |
7 |
6 |
0 |
0.000 |
25 |
|
M |
39 |
13 |
11122 |
◊ |
E |
x,y,z |
1_555 |
46 |
11 |
8642 |
420.1 |
-0.1 |
0.614 |
7 |
6 |
0 |
0.000 |
26 |
|
B |
39 |
13 |
11317 |
◊ |
N |
x,y,z |
1_555 |
46 |
11 |
9085 |
418.6 |
-0.2 |
0.581 |
8 |
6 |
0 |
0.000 |
27 |
|
U |
41 |
14 |
11245 |
◊ |
I |
x,y,z |
1_555 |
46 |
10 |
8321 |
414.2 |
0.2 |
0.662 |
7 |
6 |
0 |
0.000 |
Average: |
432.0 |
0.1 |
0.643 |
7 |
5 |
0 |
0.000 |
7 |
28 |
|
Z |
39 |
14 |
6150 |
◊ |
X |
x,y,z |
1_555 |
46 |
10 |
8477 |
416.6 |
0.3 |
0.623 |
8 |
5 |
0 |
0.000 |
8 |
29 |
|
U |
48 |
18 |
11245 |
◊ |
R |
x,y,z |
1_555 |
45 |
19 |
11540 |
413.3 |
0.2 |
0.691 |
6 |
0 |
0 |
0.000 |
9 |
30 |
|
Z |
44 |
17 |
6150 |
◊ |
A |
x,y,z |
1_555 |
42 |
19 |
11521 |
380.8 |
-0.1 |
0.630 |
6 |
0 |
0 |
0.000 |
10 |
31 |
|
Y |
39 |
15 |
5607 |
◊ |
B |
x-1,y,z |
1_455 |
45 |
18 |
11317 |
366.8 |
0.1 |
0.714 |
1 |
0 |
0 |
0.000 |
11 |
32 |
|
W |
43 |
16 |
11109 |
◊ |
P |
x,y,z |
1_555 |
41 |
15 |
11378 |
362.1 |
5.2 |
0.940 |
9 |
0 |
0 |
0.000 |
12 |
33 |
|
P |
40 |
14 |
11378 |
◊ |
L |
x,y,z |
1_555 |
36 |
14 |
11377 |
348.9 |
0.1 |
0.644 |
9 |
2 |
0 |
0.000 |
34 |
|
V |
38 |
14 |
11294 |
◊ |
J |
x,y,z |
1_555 |
37 |
14 |
11370 |
342.3 |
0.3 |
0.663 |
9 |
2 |
0 |
0.000 |
Average: |
345.6 |
0.2 |
0.653 |
9 |
2 |
0 |
0.000 |
13 |
35 |
|
U |
37 |
14 |
11245 |
◊ |
H |
x,y,z |
1_555 |
43 |
11 |
8494 |
345.8 |
-3.0 |
0.446 |
3 |
0 |
0 |
0.000 |
14 |
36 |
|
X |
40 |
9 |
8477 |
◊ |
B |
x-1,y,z |
1_455 |
36 |
11 |
11317 |
320.0 |
-1.2 |
0.591 |
2 |
0 |
0 |
0.000 |
15 |
37 |
|
Q |
30 |
11 |
11170 |
◊ |
E |
x,y,z |
1_555 |
30 |
10 |
8642 |
285.0 |
-3.9 |
0.289 |
3 |
0 |
0 |
0.000 |
38 |
|
W |
29 |
12 |
11109 |
◊ |
D |
x,y,z |
1_555 |
29 |
10 |
8683 |
278.3 |
-3.6 |
0.315 |
2 |
0 |
0 |
0.000 |
39 |
|
M |
29 |
10 |
11122 |
◊ |
G |
x,y,z |
1_555 |
31 |
9 |
8287 |
277.3 |
-4.3 |
0.247 |
2 |
0 |
0 |
0.000 |
40 |
|
K |
29 |
11 |
11179 |
◊ |
F |
x,y,z |
1_555 |
31 |
10 |
8599 |
273.9 |
-3.8 |
0.313 |
3 |
0 |
0 |
0.000 |
Average: |
278.6 |
-3.9 |
0.291 |
3 |
0 |
0 |
0.000 |
16 |
41 |
|
M |
26 |
9 |
11122 |
◊ |
P |
x-1,y,z |
1_455 |
30 |
10 |
11378 |
257.8 |
-3.8 |
0.237 |
1 |
0 |
0 |
0.000 |
42 |
|
J |
27 |
9 |
11370 |
◊ |
W |
x-1,y,z |
1_455 |
29 |
10 |
11109 |
254.1 |
-4.2 |
0.199 |
1 |
0 |
0 |
0.000 |
43 |
|
L |
28 |
10 |
11377 |
◊ |
Q |
x-1,y,z |
1_455 |
27 |
9 |
11170 |
252.5 |
-3.7 |
0.239 |
1 |
0 |
0 |
0.000 |
44 |
|
K |
24 |
8 |
11179 |
◊ |
V |
x-1,y,z |
1_455 |
28 |
9 |
11294 |
243.2 |
-4.2 |
0.179 |
0 |
0 |
0 |
0.000 |
Average: |
251.9 |
-4.0 |
0.213 |
1 |
0 |
0 |
0.000 |
17 |
45 |
|
T |
29 |
9 |
11429 |
◊ |
B |
x-1,y,z |
1_455 |
26 |
6 |
11317 |
257.1 |
-2.0 |
0.422 |
3 |
0 |
0 |
0.000 |
18 |
46 |
|
I |
25 |
7 |
8321 |
◊ |
S |
x-1,y,z |
1_455 |
26 |
8 |
11110 |
239.6 |
-0.7 |
0.618 |
6 |
0 |
0 |
0.000 |
19 |
47 |
|
S |
20 |
7 |
11110 |
◊ |
V |
x,y,z |
1_555 |
31 |
9 |
11294 |
198.4 |
-2.3 |
0.378 |
1 |
0 |
0 |
0.000 |
20 |
48 |
|
K |
22 |
6 |
11179 |
◊ |
P |
x-1,y,z |
1_455 |
20 |
10 |
11378 |
196.4 |
1.0 |
0.690 |
1 |
0 |
0 |
0.000 |
21 |
49 |
|
W |
21 |
7 |
11109 |
◊ |
L |
x,y,z |
1_555 |
19 |
8 |
11377 |
174.1 |
-1.1 |
0.489 |
1 |
0 |
0 |
0.000 |
22 |
50 |
|
E |
21 |
8 |
8642 |
◊ |
N |
-x+1,y-1/2,-z |
2_645 |
20 |
6 |
9085 |
173.1 |
-4.1 |
0.183 |
0 |
0 |
0 |
0.000 |
23 |
51 |
|
Q |
19 |
7 |
11170 |
◊ |
V |
x,y,z-1 |
1_554 |
20 |
7 |
11294 |
166.5 |
1.4 |
0.709 |
2 |
4 |
0 |
0.000 |
24 |
52 |
|
T |
19 |
8 |
11429 |
◊ |
S |
x-1,y,z |
1_455 |
22 |
10 |
11110 |
165.8 |
0.6 |
0.565 |
0 |
0 |
0 |
0.000 |
25 |
53 |
|
T |
18 |
7 |
11429 |
◊ |
N |
x-1,y,z |
1_455 |
16 |
4 |
9085 |
162.5 |
-0.5 |
0.569 |
0 |
0 |
0 |
0.000 |
26 |
54 |
|
K |
17 |
8 |
11179 |
◊ |
L |
x,y,z |
1_555 |
22 |
9 |
11377 |
151.0 |
0.2 |
0.655 |
0 |
0 |
0 |
0.000 |
27 |
55 |
|
Y |
21 |
6 |
5607 |
◊ |
T |
x,y,z |
1_555 |
13 |
6 |
11429 |
145.7 |
-1.5 |
0.399 |
0 |
0 |
0 |
0.000 |
28 |
56 |
|
G |
12 |
4 |
8287 |
◊ |
R |
x,y,z-1 |
1_554 |
15 |
5 |
11540 |
133.6 |
-0.6 |
0.496 |
0 |
0 |
0 |
0.000 |
57 |
|
A |
16 |
6 |
11521 |
◊ |
F |
x,y,z |
1_555 |
15 |
5 |
8599 |
112.8 |
1.1 |
0.645 |
1 |
0 |
0 |
0.000 |
Average: |
123.2 |
0.3 |
0.571 |
1 |
0 |
0 |
0.000 |
29 |
58 |
|
U |
15 |
6 |
11245 |
◊ |
X |
x,y,z |
1_555 |
13 |
4 |
8477 |
133.3 |
-0.2 |
0.559 |
0 |
0 |
0 |
0.000 |
30 |
59 |
|
Q |
17 |
7 |
11170 |
◊ |
J |
x,y,z-1 |
1_554 |
17 |
7 |
11370 |
125.8 |
-2.0 |
0.307 |
1 |
0 |
0 |
0.000 |
31 |
60 |
|
Z |
17 |
8 |
6150 |
◊ |
U |
x,y,z |
1_555 |
10 |
3 |
11245 |
117.6 |
-0.3 |
0.615 |
3 |
0 |
0 |
0.000 |
32 |
61 |
|
[SO4]L:301 |
5 |
1 |
188 |
f |
L |
x,y,z |
1_555 |
16 |
9 |
11377 |
112.8 |
-18.7 |
0.710 |
4 |
0 |
0 |
0.419 |
33 |
62 |
|
[SO4]J:302 |
5 |
1 |
187 |
f |
J |
x,y,z |
1_555 |
16 |
9 |
11370 |
112.1 |
-18.1 |
0.728 |
3 |
0 |
0 |
0.297 |
34 |
63 |
|
[SO4]V:301 |
5 |
1 |
188 |
f |
V |
x,y,z |
1_555 |
16 |
9 |
11294 |
110.5 |
-18.3 |
0.712 |
3 |
0 |
0 |
0.298 |
35 |
64 |
|
Z |
12 |
4 |
6150 |
◊ |
N |
x,y,z |
1_555 |
18 |
6 |
9085 |
107.7 |
-0.4 |
0.599 |
0 |
0 |
0 |
0.000 |
36 |
65 |
|
B |
10 |
3 |
11317 |
◊ |
P |
x,y,z |
1_555 |
13 |
4 |
11378 |
106.1 |
-0.6 |
0.479 |
0 |
0 |
0 |
0.000 |
37 |
66 |
|
B |
13 |
5 |
11317 |
◊ |
G |
x,y,z |
1_555 |
12 |
6 |
8287 |
105.8 |
-0.0 |
0.658 |
0 |
0 |
0 |
0.000 |
38 |
67 |
|
[SO4]G:501 |
5 |
1 |
187 |
f |
G |
x,y,z |
1_555 |
19 |
9 |
8287 |
102.8 |
-13.4 |
0.712 |
1 |
0 |
0 |
0.100 |
39 |
68 |
|
[SO4]F:201 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
18 |
9 |
8599 |
101.1 |
-13.5 |
0.729 |
2 |
0 |
0 |
0.100 |
40 |
69 |
|
G |
8 |
2 |
8287 |
◊ |
J |
x,y,z-1 |
1_554 |
8 |
3 |
11370 |
98.5 |
0.1 |
0.574 |
2 |
0 |
0 |
0.000 |
41 |
70 |
|
[SO4]P:301 |
5 |
1 |
188 |
f |
P |
x,y,z |
1_555 |
11 |
4 |
11378 |
92.1 |
-11.1 |
0.875 |
3 |
0 |
0 |
0.306 |
42 |
71 |
|
J |
8 |
3 |
11370 |
◊ |
V |
x-1,y,z |
1_455 |
12 |
3 |
11294 |
90.7 |
-0.2 |
0.569 |
0 |
0 |
0 |
0.000 |
72 |
|
L |
11 |
3 |
11377 |
◊ |
P |
x-1,y,z |
1_455 |
11 |
3 |
11378 |
87.5 |
0.3 |
0.670 |
1 |
0 |
0 |
0.000 |
Average: |
89.1 |
0.1 |
0.620 |
1 |
0 |
0 |
0.000 |
43 |
73 |
|
[SO4]J:301 |
5 |
1 |
187 |
f |
J |
x,y,z |
1_555 |
12 |
4 |
11370 |
88.6 |
-11.2 |
0.861 |
2 |
0 |
0 |
0.185 |
44 |
74 |
|
[SO4]V:302 |
5 |
1 |
187 |
f |
V |
x,y,z |
1_555 |
10 |
4 |
11294 |
86.7 |
-10.0 |
0.931 |
2 |
0 |
0 |
0.165 |
45 |
75 |
|
X |
8 |
4 |
8477 |
◊ |
G |
x,y,z |
1_555 |
9 |
5 |
8287 |
84.7 |
-0.4 |
0.330 |
0 |
0 |
0 |
0.000 |
46 |
76 |
|
I |
8 |
3 |
8321 |
◊ |
F |
x,y,z |
1_555 |
7 |
4 |
8599 |
58.0 |
0.6 |
0.743 |
0 |
0 |
0 |
0.000 |
47 |
77 |
|
Z |
7 |
2 |
6150 |
◊ |
T |
x,y,z |
1_555 |
14 |
6 |
11429 |
48.5 |
-0.2 |
0.582 |
0 |
0 |
0 |
0.000 |
48 |
78 |
|
X |
3 |
1 |
8477 |
◊ |
I |
x,y,z-1 |
1_554 |
3 |
1 |
8321 |
38.1 |
0.8 |
0.835 |
0 |
0 |
0 |
0.000 |
49 |
79 |
|
[SO4]F:201 |
4 |
1 |
187 |
◊ |
W |
x,y,z |
1_555 |
5 |
2 |
11109 |
34.1 |
-3.9 |
0.880 |
1 |
0 |
0 |
0.000 |
50 |
80 |
|
[SO4]G:501 |
4 |
1 |
187 |
◊ |
Q |
x,y,z |
1_555 |
5 |
2 |
11170 |
33.8 |
-3.8 |
0.891 |
2 |
0 |
0 |
0.000 |
51 |
81 |
|
Z |
4 |
1 |
6150 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
8494 |
32.3 |
1.1 |
0.741 |
1 |
0 |
0 |
0.000 |
52 |
82 |
|
[SO4]G:501 |
4 |
1 |
187 |
◊ |
P |
x,y,z |
1_555 |
6 |
2 |
11378 |
27.8 |
-3.6 |
0.766 |
1 |
0 |
0 |
0.000 |
53 |
83 |
|
[SO4]F:201 |
4 |
1 |
187 |
◊ |
V |
x,y,z |
1_555 |
6 |
2 |
11294 |
26.7 |
-3.5 |
0.753 |
0 |
0 |
0 |
0.000 |
54 |
84 |
|
I |
2 |
1 |
8321 |
◊ |
R |
x-1,y,z |
1_455 |
4 |
2 |
11540 |
26.6 |
-0.3 |
0.426 |
0 |
0 |
0 |
0.000 |
55 |
85 |
|
[SO4]J:302 |
4 |
1 |
187 |
f |
[SO4]J:301 |
x,y,z |
1_555 |
2 |
1 |
187 |
24.5 |
-5.5 |
0.979 |
0 |
0 |
0 |
0.084 |
56 |
86 |
|
[SO4]V:302 |
4 |
1 |
187 |
f |
[SO4]V:301 |
x,y,z |
1_555 |
4 |
1 |
188 |
23.9 |
-5.1 |
0.998 |
0 |
0 |
0 |
0.078 |
57 |
87 |
|
B |
5 |
3 |
11317 |
◊ |
R |
x,y,z-1 |
1_554 |
6 |
4 |
11540 |
19.1 |
-0.1 |
0.568 |
0 |
0 |
0 |
0.000 |
58 |
88 |
|
L |
1 |
1 |
11377 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
8683 |
8.1 |
0.2 |
0.776 |
0 |
0 |
0 |
0.000 |
59 |
89 |
|
T |
2 |
2 |
11429 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
2 |
11521 |
7.6 |
0.1 |
0.678 |
0 |
0 |
0 |
0.000 |
60 |
90 |
|
M |
2 |
1 |
11122 |
◊ |
V |
x-1,y,z-1 |
1_454 |
1 |
1 |
11294 |
7.3 |
-0.1 |
0.413 |
0 |
0 |
0 |
0.000 |
61 |
91 |
|
Z |
3 |
1 |
6150 |
◊ |
I |
x,y,z-1 |
1_554 |
1 |
1 |
8321 |
6.9 |
0.3 |
0.748 |
0 |
0 |
0 |
0.000 |
62 |
92 |
|
V |
1 |
1 |
11294 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
11378 |
5.1 |
-0.0 |
0.485 |
0 |
0 |
0 |
0.000 |
63 |
93 |
|
K |
2 |
2 |
11179 |
◊ |
W |
x-1,y,z |
1_455 |
2 |
1 |
11109 |
3.4 |
-0.1 |
0.522 |
0 |
0 |
0 |
0.000 |
|