| ## |
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 |
105 |
10 |
2679 |
◊ |
D |
x,y,z |
1_555 |
119 |
42 |
27714 |
969.0 |
-5.3 |
0.553 |
15 |
0 |
0 |
0.278 |
2 |
|
C |
101 |
10 |
2675 |
◊ |
A |
x,y,z |
1_555 |
111 |
39 |
28082 |
947.7 |
-6.6 |
0.546 |
14 |
0 |
0 |
0.278 |
| Average: |
958.3 |
-6.0 |
0.549 |
15 |
0 |
0 |
0.278 |
| 2 |
3 |
|
D |
89 |
23 |
27714 |
x |
D |
x-1/2,-y-1/2,-z |
4_445 |
94 |
26 |
27714 |
803.6 |
1.0 |
0.549 |
14 |
6 |
0 |
0.000 |
| 3 |
4 |
|
D |
96 |
23 |
27714 |
◊ |
A |
-x+5/2,-y,z-1/2 |
2_754 |
90 |
20 |
28082 |
788.9 |
-4.2 |
0.285 |
9 |
1 |
0 |
0.000 |
| 4 |
5 |
|
B |
65 |
6 |
1935 |
◊ |
A |
x,y,z |
1_555 |
78 |
27 |
28082 |
642.7 |
-11.1 |
0.231 |
12 |
0 |
0 |
0.364 |
6 |
|
E |
66 |
6 |
1903 |
◊ |
D |
x,y,z |
1_555 |
73 |
25 |
27714 |
636.7 |
-10.6 |
0.266 |
13 |
0 |
0 |
0.364 |
| Average: |
639.7 |
-10.9 |
0.249 |
13 |
0 |
0 |
0.364 |
| 5 |
7 |
|
D |
69 |
21 |
27714 |
◊ |
A |
-x+5/2,-y-1,z-1/2 |
2_744 |
70 |
20 |
28082 |
617.8 |
-4.5 |
0.221 |
3 |
0 |
0 |
0.000 |
| 6 |
8 |
|
D |
71 |
22 |
27714 |
◊ |
A |
x,y,z |
1_555 |
64 |
16 |
28082 |
591.2 |
3.8 |
0.761 |
7 |
5 |
0 |
0.000 |
| 7 |
9 |
|
A |
53 |
14 |
28082 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
49 |
16 |
27714 |
463.6 |
-1.1 |
0.454 |
6 |
3 |
0 |
0.035 |
| 8 |
10 |
|
F |
37 |
9 |
2679 |
◊ |
E |
x,y,z |
1_555 |
40 |
8 |
1903 |
369.4 |
-4.6 |
0.559 |
22 |
0 |
0 |
1.000 |
11 |
|
C |
39 |
9 |
2675 |
◊ |
B |
x,y,z |
1_555 |
39 |
8 |
1935 |
367.1 |
-4.8 |
0.565 |
23 |
0 |
0 |
1.000 |
| Average: |
368.3 |
-4.7 |
0.562 |
23 |
0 |
0 |
1.000 |
| 9 |
12 |
|
[SUC]A:877 |
22 |
1 |
458 |
f |
A |
x,y,z |
1_555 |
42 |
17 |
28082 |
312.4 |
2.4 |
0.440 |
7 |
0 |
0 |
0.017 |
| 10 |
13 |
|
[DCT]A:883 |
26 |
1 |
557 |
f |
A |
x,y,z |
1_555 |
45 |
18 |
28082 |
305.7 |
-0.2 |
0.459 |
10 |
0 |
0 |
0.104 |
14 |
|
[DCT]D:881 |
25 |
1 |
541 |
f |
D |
x,y,z |
1_555 |
46 |
19 |
27714 |
299.5 |
-0.2 |
0.431 |
8 |
0 |
0 |
0.104 |
| Average: |
302.6 |
-0.2 |
0.445 |
9 |
0 |
0 |
0.104 |
| 11 |
15 |
|
[SUC]D:877 |
21 |
1 |
454 |
f |
D |
x,y,z |
1_555 |
45 |
17 |
27714 |
304.2 |
3.9 |
0.540 |
8 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[6OG]C:3 |
22 |
1 |
509 |
◊ |
A |
x,y,z |
1_555 |
32 |
12 |
28082 |
228.7 |
-1.7 |
0.311 |
3 |
0 |
0 |
0.066 |
17 |
|
[6OG]F:3 |
22 |
1 |
510 |
◊ |
D |
x,y,z |
1_555 |
33 |
13 |
27714 |
227.3 |
-1.5 |
0.311 |
3 |
0 |
0 |
0.066 |
| Average: |
228.0 |
-1.6 |
0.311 |
3 |
0 |
0 |
0.066 |
| 13 |
18 |
|
[SUC]A:878 |
16 |
1 |
483 |
f |
A |
x,y,z |
1_555 |
31 |
7 |
28082 |
224.9 |
1.2 |
0.391 |
3 |
0 |
0 |
0.002 |
| 14 |
19 |
|
D |
26 |
10 |
27714 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
28 |
10 |
28082 |
198.7 |
4.9 |
0.923 |
3 |
2 |
0 |
0.000 |
| 15 |
20 |
|
[DDG]B:29 |
16 |
1 |
460 |
◊ |
A |
x,y,z |
1_555 |
25 |
12 |
28082 |
185.7 |
1.8 |
0.454 |
3 |
0 |
0 |
0.000 |
21 |
|
[DDG]E:29 |
16 |
1 |
463 |
◊ |
D |
x,y,z |
1_555 |
21 |
11 |
27714 |
183.4 |
2.0 |
0.472 |
3 |
0 |
0 |
0.000 |
| Average: |
184.6 |
1.9 |
0.463 |
3 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[6OG]C:3 |
17 |
1 |
509 |
cf |
C |
x,y,z |
1_555 |
18 |
2 |
2675 |
165.9 |
2.8 |
0.704 |
0 |
0 |
0 |
0.000 |
23 |
|
[6OG]F:3 |
17 |
1 |
510 |
cf |
F |
x,y,z |
1_555 |
18 |
2 |
2679 |
164.5 |
2.5 |
0.691 |
0 |
0 |
0 |
0.000 |
| Average: |
165.2 |
2.7 |
0.698 |
0 |
0 |
0 |
0.000 |
| 17 |
24 |
|
B |
20 |
3 |
1935 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
18 |
3 |
1903 |
159.9 |
-1.5 |
0.608 |
0 |
0 |
0 |
0.013 |
| 18 |
25 |
|
A |
17 |
7 |
28082 |
x |
A |
-x+3,y-1/2,-z+1/2 |
3_845 |
20 |
6 |
28082 |
109.4 |
0.9 |
0.675 |
1 |
0 |
0 |
0.000 |
| 19 |
26 |
|
C |
14 |
1 |
2675 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
13 |
1 |
2679 |
99.7 |
1.8 |
0.750 |
0 |
0 |
0 |
0.000 |
| 20 |
27 |
|
[SO4]D:880 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
27714 |
95.0 |
-13.4 |
0.610 |
1 |
0 |
0 |
0.244 |
| 21 |
28 |
|
[DDG]E:29 |
15 |
1 |
463 |
◊ |
[DCT]D:881 |
x,y,z |
1_555 |
16 |
1 |
541 |
90.3 |
3.1 |
0.491 |
0 |
0 |
0 |
0.000 |
29 |
|
[DDG]B:29 |
15 |
1 |
460 |
◊ |
[DCT]A:883 |
x,y,z |
1_555 |
15 |
1 |
557 |
89.6 |
2.7 |
0.484 |
0 |
0 |
0 |
0.000 |
| Average: |
90.0 |
2.9 |
0.488 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
[SO4]A:882 |
5 |
1 |
184 |
f |
D |
x-1/2,-y-1/2,-z |
4_445 |
15 |
5 |
27714 |
85.8 |
-11.0 |
0.672 |
0 |
0 |
0 |
0.193 |
| 23 |
31 |
|
[DDG]B:29 |
14 |
1 |
460 |
cf |
B |
x,y,z |
1_555 |
13 |
1 |
1935 |
85.7 |
1.4 |
0.459 |
1 |
0 |
0 |
0.000 |
32 |
|
[DDG]E:29 |
13 |
1 |
463 |
cf |
E |
x,y,z |
1_555 |
12 |
1 |
1903 |
85.0 |
1.5 |
0.477 |
0 |
0 |
0 |
0.000 |
| Average: |
85.4 |
1.5 |
0.468 |
1 |
0 |
0 |
0.000 |
| 24 |
33 |
|
[DDG]E:29 |
13 |
1 |
463 |
◊ |
F |
x,y,z |
1_555 |
12 |
2 |
2679 |
83.7 |
1.6 |
0.481 |
3 |
0 |
0 |
0.000 |
34 |
|
[DDG]B:29 |
11 |
1 |
460 |
◊ |
C |
x,y,z |
1_555 |
13 |
2 |
2675 |
82.9 |
1.5 |
0.509 |
3 |
0 |
0 |
0.000 |
| Average: |
83.3 |
1.5 |
0.495 |
3 |
0 |
0 |
0.000 |
| 25 |
35 |
|
[SO4]A:880 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
28082 |
73.7 |
-9.6 |
0.671 |
1 |
0 |
0 |
0.224 |
| 26 |
36 |
|
A |
8 |
5 |
28082 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
9 |
4 |
28082 |
73.2 |
-0.8 |
0.365 |
0 |
0 |
0 |
0.000 |
37 |
|
D |
6 |
3 |
27714 |
x |
D |
-x+3,y-1/2,-z-1/2 |
3_844 |
9 |
3 |
27714 |
60.5 |
-0.5 |
0.434 |
0 |
1 |
0 |
0.000 |
| Average: |
66.8 |
-0.7 |
0.400 |
0 |
1 |
0 |
0.000 |
| 27 |
38 |
|
[SO4]D:879 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
27714 |
72.5 |
-9.3 |
0.885 |
4 |
0 |
0 |
0.195 |
| 28 |
39 |
|
[SO4]A:881 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
28082 |
71.5 |
-9.0 |
0.860 |
3 |
0 |
0 |
0.228 |
| 29 |
40 |
|
[SO4]A:881 |
5 |
1 |
185 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
9 |
5 |
27714 |
70.9 |
-9.2 |
0.844 |
2 |
0 |
0 |
0.086 |
| 30 |
41 |
|
B |
5 |
1 |
1935 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
7 |
1 |
2679 |
51.1 |
0.1 |
0.560 |
1 |
0 |
0 |
0.000 |
42 |
|
C |
6 |
1 |
2675 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
5 |
1 |
1903 |
49.9 |
0.1 |
0.564 |
1 |
0 |
0 |
0.000 |
| Average: |
50.5 |
0.1 |
0.562 |
1 |
0 |
0 |
0.000 |
| 31 |
43 |
|
[6OG]F:3 |
3 |
1 |
510 |
◊ |
[DCT]D:881 |
x,y,z |
1_555 |
5 |
1 |
541 |
50.9 |
0.3 |
0.469 |
2 |
0 |
0 |
0.011 |
44 |
|
[6OG]C:3 |
4 |
1 |
509 |
◊ |
[DCT]A:883 |
x,y,z |
1_555 |
5 |
1 |
557 |
50.8 |
0.4 |
0.496 |
2 |
0 |
0 |
0.011 |
| Average: |
50.9 |
0.3 |
0.482 |
2 |
0 |
0 |
0.011 |
| 32 |
45 |
|
[MN]A:879 |
1 |
1 |
123 |
cf |
A |
x,y,z |
1_555 |
9 |
5 |
28082 |
46.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.080 |
46 |
|
[MN]D:878 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
27714 |
46.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.080 |
| Average: |
46.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.080 |
| 33 |
47 |
|
D |
2 |
1 |
27714 |
◊ |
[SO4]D:879 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
186 |
42.3 |
-4.1 |
0.976 |
2 |
0 |
0 |
0.000 |
| 34 |
48 |
|
[DCT]D:881 |
5 |
1 |
541 |
f |
[MN]D:878 |
x,y,z |
1_555 |
1 |
1 |
123 |
40.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.074 |
49 |
|
[DCT]A:883 |
8 |
1 |
557 |
f |
[MN]A:879 |
x,y,z |
1_555 |
1 |
1 |
123 |
37.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.074 |
| Average: |
38.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.074 |
| 35 |
50 |
|
[DCT]D:881 |
5 |
1 |
541 |
◊ |
F |
x,y,z |
1_555 |
5 |
1 |
2679 |
28.9 |
0.1 |
0.506 |
0 |
0 |
0 |
0.000 |
51 |
|
[DCT]A:883 |
4 |
1 |
557 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
2675 |
27.9 |
0.2 |
0.526 |
0 |
0 |
0 |
0.000 |
| Average: |
28.4 |
0.1 |
0.516 |
0 |
0 |
0 |
0.000 |
| 36 |
52 |
|
[SUC]A:878 |
2 |
1 |
483 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
27714 |
25.7 |
1.3 |
0.711 |
1 |
0 |
0 |
0.000 |
| 37 |
53 |
|
[6OG]F:3 |
4 |
1 |
510 |
◊ |
[DDG]E:29 |
x,y,z |
1_555 |
5 |
1 |
463 |
25.5 |
0.1 |
0.378 |
0 |
0 |
0 |
0.000 |
54 |
|
[6OG]C:3 |
4 |
1 |
509 |
◊ |
[DDG]B:29 |
x,y,z |
1_555 |
4 |
1 |
460 |
21.0 |
0.1 |
0.370 |
0 |
0 |
0 |
0.000 |
| Average: |
23.3 |
0.1 |
0.374 |
0 |
0 |
0 |
0.000 |
| 38 |
55 |
|
B |
1 |
1 |
1935 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
27714 |
22.9 |
-0.6 |
0.336 |
0 |
0 |
0 |
0.000 |
56 |
|
A |
3 |
2 |
28082 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
1903 |
20.4 |
0.8 |
0.719 |
0 |
0 |
0 |
0.000 |
| Average: |
21.7 |
0.1 |
0.528 |
0 |
0 |
0 |
0.000 |
| 39 |
57 |
|
[DDG]E:29 |
1 |
1 |
463 |
◊ |
[MN]D:878 |
x,y,z |
1_555 |
1 |
1 |
123 |
3.0 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
|
[DDG]B:29 |
1 |
1 |
460 |
◊ |
[MN]A:879 |
x,y,z |
1_555 |
1 |
1 |
123 |
2.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
2.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.001 |
| 40 |
59 |
|
D |
1 |
1 |
27714 |
◊ |
[SUC]A:878 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
483 |
2.2 |
0.1 |
0.508 |
0 |
0 |
0 |
0.000 |
|