## |
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 |
124 |
29 |
42912 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
128 |
30 |
43532 |
1180.5 |
-17.1 |
0.020 |
8 |
2 |
0 |
1.000 |
2 |
|
D |
110 |
27 |
44538 |
◊ |
B |
-x-1,y-1/2,-z+1 |
2_446 |
117 |
29 |
43180 |
1083.4 |
-15.0 |
0.032 |
5 |
2 |
0 |
1.000 |
Average: |
1131.9 |
-16.0 |
0.026 |
7 |
2 |
0 |
1.000 |
2 |
3 |
|
I |
107 |
11 |
4424 |
◊ |
C |
x,y,z |
1_555 |
128 |
40 |
42912 |
946.8 |
-7.6 |
0.587 |
9 |
0 |
0 |
0.180 |
4 |
|
G |
108 |
11 |
4455 |
◊ |
B |
x,y,z |
1_555 |
124 |
39 |
43180 |
942.4 |
-6.8 |
0.593 |
7 |
0 |
0 |
0.180 |
5 |
|
E |
107 |
11 |
4402 |
◊ |
A |
x,y,z |
1_555 |
125 |
39 |
43532 |
936.1 |
-9.1 |
0.424 |
8 |
0 |
0 |
0.180 |
6 |
|
K |
92 |
11 |
4471 |
◊ |
D |
x,y,z |
1_555 |
101 |
34 |
44538 |
779.2 |
-4.7 |
0.541 |
6 |
0 |
0 |
0.180 |
Average: |
901.1 |
-7.1 |
0.536 |
8 |
0 |
0 |
0.180 |
3 |
7 |
|
C |
88 |
25 |
42912 |
◊ |
B |
x,y-1,z |
1_545 |
84 |
31 |
43180 |
823.7 |
-6.8 |
0.138 |
3 |
4 |
0 |
0.000 |
4 |
8 |
|
D |
99 |
31 |
44538 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
88 |
29 |
44538 |
819.6 |
-1.6 |
0.376 |
7 |
5 |
0 |
0.000 |
5 |
9 |
|
B |
75 |
21 |
43180 |
◊ |
A |
x,y,z |
1_555 |
83 |
24 |
43532 |
715.3 |
6.4 |
0.899 |
10 |
5 |
0 |
0.000 |
6 |
10 |
|
H |
71 |
9 |
3558 |
◊ |
B |
x,y,z |
1_555 |
89 |
32 |
43180 |
706.6 |
-11.4 |
0.413 |
19 |
0 |
0 |
1.000 |
11 |
|
J |
71 |
9 |
3566 |
◊ |
C |
x,y,z |
1_555 |
86 |
30 |
42912 |
704.7 |
-12.5 |
0.353 |
15 |
0 |
0 |
1.000 |
12 |
|
F |
73 |
9 |
3557 |
◊ |
A |
x,y,z |
1_555 |
88 |
31 |
43532 |
699.6 |
-11.5 |
0.441 |
15 |
0 |
0 |
1.000 |
13 |
|
L |
47 |
5 |
3591 |
◊ |
D |
x,y,z |
1_555 |
63 |
20 |
44538 |
461.1 |
-9.1 |
0.324 |
8 |
0 |
0 |
1.000 |
Average: |
643.0 |
-11.2 |
0.382 |
14 |
0 |
0 |
1.000 |
7 |
14 |
|
L |
67 |
15 |
3591 |
◊ |
K |
x,y,z |
1_555 |
71 |
15 |
4471 |
676.4 |
-7.3 |
0.621 |
39 |
0 |
0 |
0.605 |
15 |
|
H |
68 |
15 |
3558 |
◊ |
G |
x,y,z |
1_555 |
73 |
14 |
4455 |
672.3 |
-6.0 |
0.700 |
38 |
0 |
0 |
0.605 |
16 |
|
J |
69 |
15 |
3566 |
◊ |
I |
x,y,z |
1_555 |
70 |
15 |
4424 |
665.2 |
-6.9 |
0.664 |
40 |
0 |
0 |
0.605 |
17 |
|
F |
65 |
15 |
3557 |
◊ |
E |
x,y,z |
1_555 |
71 |
15 |
4402 |
645.5 |
-6.8 |
0.655 |
37 |
0 |
0 |
0.605 |
Average: |
664.8 |
-6.8 |
0.660 |
39 |
0 |
0 |
0.605 |
8 |
18 |
|
A |
70 |
18 |
43532 |
x |
A |
-x,y-1/2,-z |
2_545 |
64 |
22 |
43532 |
595.2 |
-3.0 |
0.338 |
5 |
4 |
0 |
0.000 |
9 |
19 |
|
D |
70 |
23 |
44538 |
◊ |
C |
x,y,z |
1_555 |
62 |
21 |
42912 |
506.9 |
1.0 |
0.707 |
3 |
2 |
0 |
0.000 |
10 |
20 |
|
C |
43 |
14 |
42912 |
◊ |
B |
x,y,z |
1_555 |
53 |
20 |
43180 |
449.0 |
-1.2 |
0.428 |
4 |
0 |
0 |
0.000 |
11 |
21 |
|
C |
56 |
20 |
42912 |
◊ |
G |
-x-1,y-1/2,-z+1 |
2_446 |
34 |
3 |
4455 |
430.2 |
0.1 |
0.637 |
6 |
0 |
0 |
0.000 |
22 |
|
D |
54 |
17 |
44538 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
35 |
3 |
4402 |
415.6 |
0.9 |
0.696 |
10 |
0 |
0 |
0.000 |
Average: |
422.9 |
0.5 |
0.666 |
8 |
0 |
0 |
0.000 |
12 |
23 |
|
I |
32 |
3 |
4424 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
53 |
18 |
43180 |
413.0 |
0.4 |
0.687 |
6 |
0 |
0 |
0.000 |
24 |
|
K |
31 |
2 |
4471 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
52 |
18 |
43532 |
398.4 |
0.1 |
0.669 |
9 |
0 |
0 |
0.000 |
Average: |
405.7 |
0.3 |
0.678 |
8 |
0 |
0 |
0.000 |
13 |
25 |
|
D |
29 |
9 |
44538 |
◊ |
B |
x,y-1,z |
1_545 |
42 |
16 |
43180 |
293.9 |
-2.0 |
0.281 |
1 |
0 |
0 |
0.000 |
14 |
26 |
|
D |
30 |
8 |
44538 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
32 |
8 |
43180 |
273.0 |
-3.4 |
0.178 |
0 |
0 |
0 |
0.000 |
15 |
27 |
|
C |
30 |
11 |
42912 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
41 |
13 |
43532 |
242.0 |
-2.2 |
0.296 |
1 |
0 |
0 |
0.000 |
16 |
28 |
|
[5OC]E:3 |
19 |
1 |
443 |
cf |
E |
x,y,z |
1_555 |
27 |
3 |
4402 |
213.1 |
0.9 |
0.681 |
0 |
0 |
0 |
0.010 |
29 |
|
[5OC]I:3 |
19 |
1 |
443 |
cf |
I |
x,y,z |
1_555 |
28 |
3 |
4424 |
213.0 |
1.5 |
0.699 |
1 |
0 |
0 |
0.010 |
30 |
|
[5OC]K:3 |
18 |
1 |
427 |
cf |
K |
x,y,z |
1_555 |
31 |
3 |
4471 |
209.8 |
1.3 |
0.659 |
2 |
0 |
0 |
0.010 |
31 |
|
[5OC]G:3 |
19 |
1 |
440 |
cf |
G |
x,y,z |
1_555 |
31 |
3 |
4455 |
208.2 |
0.0 |
0.641 |
1 |
0 |
0 |
0.010 |
Average: |
211.1 |
0.9 |
0.670 |
1 |
0 |
0 |
0.010 |
17 |
32 |
|
D |
23 |
8 |
44538 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
21 |
3 |
3557 |
177.0 |
-1.5 |
0.432 |
1 |
0 |
0 |
0.000 |
33 |
|
C |
12 |
4 |
42912 |
◊ |
H |
-x-1,y-1/2,-z+1 |
2_446 |
15 |
2 |
3558 |
126.7 |
0.0 |
0.326 |
0 |
0 |
0 |
0.000 |
Average: |
151.9 |
-0.7 |
0.379 |
1 |
0 |
0 |
0.000 |
18 |
34 |
|
[5OC]I:3 |
12 |
1 |
443 |
◊ |
C |
x,y,z |
1_555 |
18 |
6 |
42912 |
120.9 |
0.9 |
0.597 |
0 |
0 |
0 |
0.000 |
35 |
|
[5OC]G:3 |
12 |
1 |
440 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
43180 |
119.3 |
0.9 |
0.594 |
0 |
0 |
0 |
0.000 |
36 |
|
[5OC]E:3 |
12 |
1 |
443 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
43532 |
116.3 |
0.5 |
0.594 |
0 |
0 |
0 |
0.000 |
37 |
|
[5OC]K:3 |
11 |
1 |
427 |
◊ |
D |
x,y,z |
1_555 |
18 |
7 |
44538 |
111.6 |
0.6 |
0.579 |
1 |
0 |
0 |
0.000 |
Average: |
117.0 |
0.8 |
0.591 |
0 |
0 |
0 |
0.000 |
19 |
38 |
|
B |
11 |
3 |
43180 |
◊ |
A |
x-1,y,z |
1_455 |
14 |
5 |
43532 |
107.7 |
-0.3 |
0.526 |
1 |
1 |
0 |
0.000 |
20 |
39 |
|
D |
9 |
4 |
44538 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
43532 |
77.8 |
-0.1 |
0.438 |
0 |
0 |
0 |
0.000 |
21 |
40 |
|
A |
9 |
4 |
43532 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
13 |
3 |
4402 |
76.7 |
-0.2 |
0.614 |
2 |
0 |
0 |
0.000 |
22 |
41 |
|
J |
8 |
2 |
3566 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
43180 |
62.6 |
0.3 |
0.583 |
2 |
0 |
0 |
0.000 |
23 |
42 |
|
[SO4]G:19 |
4 |
1 |
187 |
f |
G |
x,y,z |
1_555 |
7 |
3 |
4455 |
61.5 |
-9.7 |
0.518 |
0 |
0 |
0 |
0.228 |
24 |
43 |
|
[5OC]G:3 |
5 |
1 |
440 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
3558 |
61.1 |
0.3 |
0.585 |
3 |
0 |
0 |
0.029 |
44 |
|
[5OC]E:3 |
5 |
1 |
443 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
3557 |
60.2 |
0.2 |
0.594 |
3 |
0 |
0 |
0.029 |
45 |
|
[5OC]I:3 |
5 |
1 |
443 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
3566 |
59.1 |
0.3 |
0.590 |
3 |
0 |
0 |
0.029 |
46 |
|
[5OC]K:3 |
6 |
1 |
427 |
◊ |
L |
x,y,z |
1_555 |
7 |
3 |
3591 |
56.5 |
0.4 |
0.594 |
3 |
0 |
0 |
0.029 |
Average: |
59.2 |
0.3 |
0.591 |
3 |
0 |
0 |
0.029 |
25 |
47 |
|
L |
6 |
2 |
3591 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
9 |
3 |
43180 |
58.2 |
0.4 |
0.630 |
1 |
0 |
0 |
0.000 |
26 |
48 |
|
[SO4]E:19 |
4 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
6 |
2 |
4402 |
57.0 |
-8.9 |
0.504 |
0 |
0 |
0 |
0.224 |
27 |
49 |
|
[SO4]I:19 |
4 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
6 |
2 |
4424 |
53.1 |
-8.2 |
0.497 |
0 |
0 |
0 |
0.192 |
28 |
50 |
|
C |
6 |
3 |
42912 |
◊ |
G |
x,y-1,z |
1_545 |
9 |
2 |
4455 |
51.0 |
-0.8 |
0.380 |
0 |
0 |
0 |
0.000 |
29 |
51 |
|
[SO4]K:19 |
4 |
1 |
186 |
f |
K |
x,y,z |
1_555 |
5 |
2 |
4471 |
48.8 |
-7.2 |
0.535 |
0 |
0 |
0 |
0.176 |
30 |
52 |
|
[SO4]K:19 |
3 |
1 |
186 |
f |
[5OC]K:3 |
x,y,z |
1_555 |
9 |
1 |
427 |
42.3 |
-5.9 |
0.688 |
1 |
0 |
0 |
0.154 |
31 |
53 |
|
D |
2 |
1 |
44538 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
6 |
2 |
43532 |
40.3 |
-0.8 |
0.143 |
0 |
0 |
0 |
0.000 |
32 |
54 |
|
[SO4]E:19 |
3 |
1 |
187 |
f |
[5OC]E:3 |
x,y,z |
1_555 |
9 |
1 |
443 |
39.8 |
-4.9 |
0.778 |
0 |
0 |
0 |
0.123 |
33 |
55 |
|
[SO4]I:19 |
4 |
1 |
186 |
f |
[5OC]I:3 |
x,y,z |
1_555 |
5 |
1 |
443 |
38.6 |
-4.9 |
0.669 |
2 |
0 |
0 |
0.135 |
34 |
56 |
|
[SO4]G:19 |
3 |
1 |
187 |
f |
[5OC]G:3 |
x,y,z |
1_555 |
8 |
1 |
440 |
35.6 |
-4.2 |
0.738 |
1 |
0 |
0 |
0.110 |
35 |
57 |
|
[SO4]G:19 |
4 |
1 |
187 |
◊ |
H |
x,y,z |
1_555 |
4 |
4 |
3558 |
34.9 |
-3.4 |
0.824 |
1 |
0 |
0 |
0.091 |
36 |
58 |
|
[SO4]I:19 |
3 |
1 |
186 |
◊ |
J |
x,y,z |
1_555 |
5 |
4 |
3566 |
34.5 |
-3.8 |
0.823 |
1 |
0 |
0 |
0.099 |
37 |
59 |
|
[SO4]E:19 |
3 |
1 |
187 |
◊ |
F |
x,y,z |
1_555 |
4 |
4 |
3557 |
24.9 |
-2.6 |
0.813 |
0 |
0 |
0 |
0.064 |
38 |
60 |
|
[SO4]K:19 |
3 |
1 |
186 |
◊ |
L |
x,y,z |
1_555 |
3 |
3 |
3591 |
21.0 |
-2.1 |
0.792 |
0 |
0 |
0 |
0.052 |
39 |
61 |
|
I |
2 |
2 |
4424 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
43180 |
16.1 |
-0.6 |
0.449 |
0 |
0 |
0 |
0.000 |
40 |
62 |
|
D |
3 |
1 |
44538 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
43180 |
15.2 |
0.3 |
0.599 |
0 |
0 |
0 |
0.000 |
41 |
63 |
|
D |
2 |
1 |
44538 |
◊ |
L |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
3591 |
10.8 |
-0.1 |
0.603 |
0 |
0 |
0 |
0.000 |
42 |
64 |
|
J |
1 |
1 |
3566 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
43180 |
3.8 |
0.1 |
0.469 |
0 |
0 |
0 |
0.000 |
|