## |
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 |
|
F |
84 |
24 |
15275 |
◊ |
D |
x,y,z |
1_555 |
91 |
26 |
14436 |
847.2 |
-8.0 |
0.322 |
8 |
5 |
0 |
0.708 |
2 |
|
F |
97 |
28 |
15275 |
◊ |
E |
x,y,z |
1_555 |
76 |
22 |
14687 |
831.6 |
-9.5 |
0.216 |
7 |
6 |
0 |
0.708 |
3 |
|
H |
98 |
29 |
14723 |
◊ |
G |
x,y,z |
1_555 |
74 |
21 |
14321 |
827.6 |
-8.7 |
0.222 |
9 |
5 |
0 |
0.708 |
4 |
|
I |
73 |
22 |
14898 |
◊ |
G |
x,y,z |
1_555 |
96 |
28 |
14321 |
823.4 |
-8.7 |
0.247 |
6 |
4 |
0 |
0.708 |
5 |
|
I |
87 |
27 |
14898 |
◊ |
H |
x,y,z |
1_555 |
76 |
23 |
14723 |
807.9 |
-6.3 |
0.398 |
9 |
4 |
0 |
0.708 |
6 |
|
L |
92 |
26 |
14668 |
◊ |
J |
x,y,z |
1_555 |
74 |
20 |
14475 |
791.7 |
-7.4 |
0.319 |
10 |
4 |
0 |
0.708 |
7 |
|
L |
74 |
22 |
14668 |
◊ |
K |
x,y,z |
1_555 |
92 |
26 |
14048 |
782.5 |
-8.0 |
0.274 |
7 |
6 |
0 |
0.708 |
8 |
|
C |
69 |
22 |
14495 |
◊ |
A |
x,y,z |
1_555 |
92 |
27 |
14642 |
775.1 |
-6.7 |
0.328 |
7 |
5 |
0 |
0.708 |
9 |
|
K |
71 |
22 |
14048 |
◊ |
J |
x,y,z |
1_555 |
77 |
20 |
14475 |
728.0 |
-5.0 |
0.440 |
9 |
4 |
0 |
0.708 |
10 |
|
C |
77 |
21 |
14495 |
◊ |
B |
x,y,z |
1_555 |
64 |
21 |
14721 |
727.2 |
-4.5 |
0.443 |
9 |
2 |
0 |
0.708 |
11 |
|
B |
76 |
21 |
14721 |
◊ |
A |
x,y,z |
1_555 |
64 |
21 |
14642 |
717.9 |
-6.3 |
0.302 |
5 |
6 |
0 |
0.708 |
12 |
|
E |
75 |
20 |
14687 |
◊ |
D |
x,y,z |
1_555 |
67 |
21 |
14436 |
688.9 |
-6.3 |
0.307 |
8 |
6 |
0 |
0.708 |
Average: |
779.1 |
-7.1 |
0.318 |
8 |
5 |
0 |
0.708 |
2 |
13 |
|
L |
65 |
17 |
14668 |
◊ |
B |
x,y,z |
1_555 |
68 |
15 |
14721 |
582.4 |
-7.1 |
0.276 |
5 |
0 |
0 |
0.333 |
14 |
|
J |
65 |
17 |
14475 |
◊ |
H |
x,y,z |
1_555 |
62 |
15 |
14723 |
573.0 |
-6.4 |
0.311 |
6 |
2 |
0 |
0.333 |
15 |
|
G |
64 |
20 |
14321 |
◊ |
F |
x,y,z |
1_555 |
55 |
13 |
15275 |
560.4 |
-7.1 |
0.242 |
6 |
2 |
0 |
0.333 |
16 |
|
F |
61 |
19 |
15275 |
◊ |
A |
x,y,z |
1_555 |
58 |
15 |
14642 |
525.2 |
-7.2 |
0.231 |
3 |
1 |
0 |
0.333 |
17 |
|
L |
58 |
15 |
14668 |
◊ |
E |
x,y,z |
1_555 |
58 |
16 |
14687 |
523.9 |
-5.6 |
0.348 |
5 |
1 |
0 |
0.333 |
18 |
|
I |
55 |
13 |
14898 |
◊ |
D |
x,y,z |
1_555 |
58 |
16 |
14436 |
522.5 |
-7.3 |
0.198 |
5 |
0 |
0 |
0.333 |
19 |
|
E |
55 |
16 |
14687 |
◊ |
B |
x,y,z |
1_555 |
56 |
15 |
14721 |
512.0 |
-6.2 |
0.271 |
5 |
2 |
0 |
0.333 |
20 |
|
K |
58 |
16 |
14048 |
◊ |
I |
x,y,z |
1_555 |
55 |
15 |
14898 |
508.7 |
-6.6 |
0.252 |
5 |
2 |
0 |
0.333 |
21 |
|
H |
50 |
15 |
14723 |
◊ |
C |
x,y,z |
1_555 |
56 |
13 |
14495 |
504.4 |
-5.1 |
0.341 |
7 |
2 |
0 |
0.333 |
22 |
|
G |
51 |
15 |
14321 |
◊ |
A |
x,y,z |
1_555 |
54 |
15 |
14642 |
501.2 |
-6.2 |
0.233 |
4 |
0 |
0 |
0.333 |
23 |
|
K |
52 |
17 |
14048 |
◊ |
D |
x,y,z |
1_555 |
54 |
14 |
14436 |
492.3 |
-6.4 |
0.228 |
4 |
2 |
0 |
0.333 |
24 |
|
J |
51 |
12 |
14475 |
◊ |
C |
x,y,z |
1_555 |
50 |
15 |
14495 |
481.7 |
-6.5 |
0.234 |
5 |
2 |
0 |
0.333 |
Average: |
524.0 |
-6.5 |
0.264 |
5 |
1 |
0 |
0.333 |
3 |
25 |
|
H |
68 |
21 |
14723 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
59 |
17 |
14436 |
540.0 |
0.6 |
0.728 |
10 |
2 |
0 |
0.000 |
26 |
|
I |
40 |
11 |
14898 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
46 |
17 |
15275 |
425.5 |
-1.4 |
0.493 |
5 |
1 |
0 |
0.000 |
Average: |
482.7 |
-0.4 |
0.610 |
8 |
2 |
0 |
0.000 |
4 |
27 |
|
F |
69 |
17 |
15275 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
56 |
15 |
14642 |
532.6 |
-3.4 |
0.533 |
2 |
0 |
0 |
0.065 |
28 |
|
E |
58 |
15 |
14687 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
61 |
17 |
14721 |
516.3 |
-1.8 |
0.628 |
4 |
0 |
0 |
0.065 |
Average: |
524.4 |
-2.6 |
0.581 |
3 |
0 |
0 |
0.065 |
5 |
29 |
|
J |
54 |
14 |
14475 |
◊ |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
53 |
13 |
14321 |
470.5 |
-2.0 |
0.579 |
2 |
0 |
0 |
0.000 |
6 |
30 |
|
F |
46 |
17 |
15275 |
◊ |
B |
x,y,z |
1_555 |
44 |
15 |
14721 |
381.5 |
-1.9 |
0.588 |
1 |
0 |
0 |
0.017 |
31 |
|
J |
29 |
12 |
14475 |
◊ |
I |
x,y,z |
1_555 |
32 |
13 |
14898 |
286.3 |
0.0 |
0.703 |
0 |
0 |
0 |
0.017 |
32 |
|
K |
32 |
13 |
14048 |
◊ |
E |
x,y,z |
1_555 |
31 |
12 |
14687 |
286.2 |
-1.1 |
0.602 |
0 |
0 |
0 |
0.017 |
33 |
|
H |
28 |
11 |
14723 |
◊ |
A |
x,y,z |
1_555 |
27 |
11 |
14642 |
261.5 |
-1.3 |
0.537 |
1 |
0 |
0 |
0.017 |
34 |
|
L |
24 |
10 |
14668 |
◊ |
C |
x,y,z |
1_555 |
26 |
12 |
14495 |
220.0 |
-0.8 |
0.615 |
2 |
0 |
0 |
0.017 |
35 |
|
G |
28 |
13 |
14321 |
◊ |
D |
x,y,z |
1_555 |
21 |
10 |
14436 |
207.8 |
1.7 |
0.836 |
1 |
0 |
0 |
0.017 |
Average: |
273.9 |
-0.6 |
0.647 |
1 |
0 |
0 |
0.017 |
7 |
36 |
|
[PDY]L:1 |
27 |
1 |
586 |
f |
L |
x,y,z |
1_555 |
43 |
18 |
14668 |
348.7 |
-0.7 |
0.543 |
2 |
0 |
0 |
0.078 |
37 |
|
[PDY]A:1 |
26 |
1 |
599 |
f |
A |
x,y,z |
1_555 |
40 |
18 |
14642 |
343.0 |
-0.3 |
0.493 |
2 |
0 |
0 |
0.078 |
38 |
|
[PDY]G:1 |
26 |
1 |
589 |
f |
G |
x,y,z |
1_555 |
44 |
18 |
14321 |
342.8 |
-0.4 |
0.563 |
2 |
0 |
0 |
0.078 |
39 |
|
[PDY]B:1 |
27 |
1 |
595 |
f |
B |
x,y,z |
1_555 |
46 |
19 |
14721 |
339.3 |
0.3 |
0.595 |
2 |
0 |
0 |
0.078 |
40 |
|
[PDY]F:1 |
27 |
1 |
591 |
f |
F |
x,y,z |
1_555 |
43 |
19 |
15275 |
337.4 |
-0.9 |
0.553 |
2 |
0 |
0 |
0.078 |
41 |
|
[PDY]E:1 |
27 |
1 |
594 |
f |
E |
x,y,z |
1_555 |
45 |
19 |
14687 |
336.6 |
0.8 |
0.635 |
2 |
0 |
0 |
0.078 |
42 |
|
[PDY]C:1 |
27 |
1 |
594 |
f |
C |
x,y,z |
1_555 |
39 |
18 |
14495 |
336.3 |
-0.1 |
0.588 |
3 |
0 |
0 |
0.078 |
43 |
|
[PDY]J:1 |
27 |
1 |
593 |
f |
J |
x,y,z |
1_555 |
42 |
19 |
14475 |
334.1 |
-0.1 |
0.563 |
1 |
0 |
0 |
0.078 |
44 |
|
[PDY]H:1 |
27 |
1 |
592 |
f |
H |
x,y,z |
1_555 |
43 |
17 |
14723 |
331.6 |
-0.1 |
0.557 |
2 |
0 |
0 |
0.078 |
45 |
|
[PDY]D:1 |
27 |
1 |
592 |
f |
D |
x,y,z |
1_555 |
41 |
18 |
14436 |
330.2 |
0.3 |
0.558 |
1 |
0 |
0 |
0.078 |
46 |
|
[PDY]I:1 |
27 |
1 |
592 |
f |
I |
x,y,z |
1_555 |
42 |
18 |
14898 |
326.9 |
-0.9 |
0.519 |
2 |
0 |
0 |
0.078 |
47 |
|
[PDY]K:1 |
27 |
1 |
592 |
f |
K |
x,y,z |
1_555 |
37 |
18 |
14048 |
322.9 |
0.3 |
0.563 |
1 |
0 |
0 |
0.078 |
Average: |
335.8 |
-0.1 |
0.561 |
2 |
0 |
0 |
0.078 |
8 |
48 |
|
[PDY]F:2 |
25 |
1 |
597 |
f |
F |
x,y,z |
1_555 |
49 |
20 |
15275 |
345.0 |
-2.2 |
0.400 |
1 |
0 |
0 |
0.220 |
49 |
|
[PDY]B:2 |
26 |
1 |
597 |
f |
B |
x,y,z |
1_555 |
43 |
15 |
14721 |
301.4 |
-2.5 |
0.370 |
0 |
0 |
0 |
0.220 |
50 |
|
[PDY]L:2 |
25 |
1 |
595 |
f |
L |
x,y,z |
1_555 |
43 |
15 |
14668 |
284.3 |
-4.3 |
0.248 |
0 |
0 |
0 |
0.220 |
51 |
|
[PDY]G:2 |
26 |
1 |
597 |
f |
G |
x,y,z |
1_555 |
44 |
14 |
14321 |
282.3 |
-2.4 |
0.388 |
2 |
0 |
0 |
0.220 |
52 |
|
[PDY]C:2 |
25 |
1 |
596 |
f |
C |
x,y,z |
1_555 |
43 |
14 |
14495 |
271.8 |
-2.1 |
0.401 |
0 |
0 |
0 |
0.220 |
53 |
|
[PDY]J:2 |
26 |
1 |
596 |
f |
J |
x,y,z |
1_555 |
43 |
15 |
14475 |
270.6 |
-4.2 |
0.308 |
1 |
0 |
0 |
0.220 |
54 |
|
[PDY]I:2 |
25 |
1 |
595 |
f |
I |
x,y,z |
1_555 |
41 |
15 |
14898 |
268.9 |
-3.3 |
0.300 |
0 |
0 |
0 |
0.220 |
55 |
|
[PDY]H:2 |
25 |
1 |
598 |
f |
H |
x,y,z |
1_555 |
42 |
14 |
14723 |
267.2 |
-4.3 |
0.304 |
0 |
0 |
0 |
0.220 |
56 |
|
[PDY]D:2 |
26 |
1 |
591 |
f |
D |
x,y,z |
1_555 |
41 |
14 |
14436 |
258.0 |
-2.7 |
0.318 |
0 |
0 |
0 |
0.220 |
57 |
|
[PDY]A:2 |
24 |
1 |
605 |
f |
A |
x,y,z |
1_555 |
38 |
14 |
14642 |
250.9 |
-4.4 |
0.230 |
0 |
0 |
0 |
0.220 |
Average: |
280.0 |
-3.3 |
0.327 |
0 |
0 |
0 |
0.220 |
9 |
58 |
|
K |
43 |
12 |
14048 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
40 |
10 |
14495 |
344.1 |
0.2 |
0.742 |
3 |
0 |
0 |
0.000 |
10 |
59 |
|
I |
32 |
9 |
14898 |
◊ |
L |
-x+1/2,-y+1,z-1/2 |
2_564 |
29 |
8 |
14668 |
284.8 |
-0.3 |
0.675 |
3 |
0 |
0 |
0.000 |
11 |
60 |
|
[PDY]K:2 |
25 |
1 |
579 |
f |
K |
x,y,z |
1_555 |
39 |
12 |
14048 |
269.0 |
-3.5 |
0.278 |
0 |
0 |
0 |
0.097 |
61 |
|
[PDY]E:2 |
26 |
1 |
589 |
f |
E |
x,y,z |
1_555 |
39 |
13 |
14687 |
253.7 |
-2.3 |
0.342 |
0 |
0 |
0 |
0.097 |
Average: |
261.3 |
-2.9 |
0.310 |
0 |
0 |
0 |
0.097 |
12 |
62 |
|
B |
20 |
6 |
14721 |
◊ |
F |
x-1/2,-y+3/2,-z+1 |
4_466 |
21 |
5 |
15275 |
167.4 |
1.0 |
0.794 |
1 |
3 |
0 |
0.000 |
13 |
63 |
|
[SO4]F:3 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
15275 |
105.7 |
-17.2 |
0.739 |
8 |
0 |
0 |
0.310 |
14 |
64 |
|
E |
12 |
3 |
14687 |
◊ |
[PDY]B:2 |
x-1/2,-y+3/2,-z+1 |
4_466 |
8 |
1 |
597 |
97.8 |
-2.2 |
0.278 |
1 |
0 |
0 |
0.043 |
65 |
|
[PDY]F:2 |
8 |
1 |
597 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
11 |
3 |
14642 |
90.0 |
-2.1 |
0.279 |
1 |
0 |
0 |
0.043 |
Average: |
93.9 |
-2.2 |
0.278 |
1 |
0 |
0 |
0.043 |
15 |
66 |
|
E |
7 |
2 |
14687 |
◊ |
F |
x-1/2,-y+3/2,-z+1 |
4_466 |
10 |
3 |
15275 |
76.6 |
1.0 |
0.804 |
1 |
0 |
0 |
0.000 |
67 |
|
B |
9 |
4 |
14721 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
6 |
1 |
14642 |
74.6 |
0.6 |
0.731 |
1 |
0 |
0 |
0.000 |
Average: |
75.6 |
0.8 |
0.768 |
1 |
0 |
0 |
0.000 |
16 |
68 |
|
I |
7 |
2 |
14898 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
8 |
1 |
14721 |
59.5 |
-0.3 |
0.557 |
0 |
0 |
0 |
0.000 |
17 |
69 |
|
E |
9 |
3 |
14687 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
7 |
3 |
14642 |
44.5 |
0.3 |
0.675 |
0 |
0 |
0 |
0.000 |
18 |
70 |
|
[PDY]B:1 |
2 |
1 |
595 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
5 |
2 |
14642 |
39.8 |
-0.5 |
0.459 |
0 |
0 |
0 |
0.000 |
71 |
|
E |
9 |
2 |
14687 |
◊ |
[PDY]F:1 |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
591 |
34.9 |
-0.1 |
0.388 |
0 |
0 |
0 |
0.000 |
Average: |
37.4 |
-0.3 |
0.423 |
0 |
0 |
0 |
0.000 |
19 |
72 |
|
[PDY]H:2 |
5 |
1 |
598 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
14321 |
26.7 |
0.1 |
0.658 |
0 |
0 |
0 |
0.000 |
73 |
|
[PDY]I:2 |
2 |
1 |
595 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
14723 |
22.2 |
-0.1 |
0.468 |
0 |
0 |
0 |
0.000 |
Average: |
24.5 |
0.0 |
0.563 |
0 |
0 |
0 |
0.000 |
20 |
74 |
|
[PDY]K:2 |
1 |
1 |
579 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
14668 |
5.2 |
0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
21 |
75 |
|
I |
1 |
1 |
14898 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
14436 |
1.6 |
0.0 |
0.713 |
0 |
0 |
0 |
0.000 |
|