## |
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 |
133 |
40 |
14338 |
◊ |
D |
-x+2,y-1/2,-z+1/2 |
3_745 |
134 |
40 |
14381 |
1248.4 |
-3.9 |
0.460 |
14 |
3 |
0 |
0.385 |
2 |
|
B |
113 |
35 |
14311 |
◊ |
A |
x,y,z |
1_555 |
117 |
37 |
14396 |
1087.8 |
-1.5 |
0.570 |
18 |
2 |
0 |
0.385 |
Average: |
1168.1 |
-2.7 |
0.515 |
16 |
3 |
0 |
0.385 |
2 |
3 |
|
A |
51 |
19 |
14396 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
52 |
18 |
14381 |
486.6 |
-0.2 |
0.524 |
8 |
0 |
0 |
0.000 |
4 |
|
F |
55 |
22 |
14338 |
◊ |
B |
x,y-1,z |
1_545 |
57 |
21 |
14311 |
477.7 |
-0.0 |
0.549 |
9 |
0 |
0 |
0.000 |
5 |
|
D |
57 |
19 |
14381 |
◊ |
B |
x,y,z |
1_555 |
52 |
20 |
14311 |
474.7 |
0.5 |
0.595 |
11 |
2 |
0 |
0.000 |
Average: |
479.7 |
0.1 |
0.556 |
9 |
1 |
0 |
0.000 |
3 |
6 |
|
C |
31 |
4 |
686 |
◊ |
B |
x,y,z |
1_555 |
61 |
23 |
14311 |
469.7 |
-5.7 |
0.559 |
13 |
0 |
0 |
1.000 |
7 |
|
E |
31 |
4 |
688 |
◊ |
D |
x,y,z |
1_555 |
58 |
23 |
14381 |
469.2 |
-5.6 |
0.565 |
13 |
0 |
0 |
1.000 |
8 |
|
G |
32 |
4 |
691 |
◊ |
F |
x,y,z |
1_555 |
62 |
23 |
14338 |
468.9 |
-5.6 |
0.590 |
13 |
0 |
0 |
1.000 |
9 |
|
I |
30 |
4 |
685 |
◊ |
A |
x,y,z |
1_555 |
60 |
23 |
14396 |
447.2 |
-5.4 |
0.573 |
13 |
0 |
0 |
1.000 |
Average: |
463.7 |
-5.6 |
0.572 |
13 |
0 |
0 |
1.000 |
4 |
10 |
|
F |
42 |
20 |
14338 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
40 |
11 |
14396 |
334.8 |
-0.6 |
0.557 |
3 |
0 |
0 |
0.000 |
5 |
11 |
|
B |
39 |
12 |
14311 |
x |
B |
x-1/2,-y+3/2,-z |
4_465 |
33 |
13 |
14311 |
297.8 |
0.1 |
0.606 |
2 |
0 |
0 |
0.000 |
12 |
|
F |
36 |
14 |
14338 |
x |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
40 |
14 |
14338 |
292.2 |
-1.3 |
0.456 |
1 |
0 |
0 |
0.000 |
13 |
|
D |
31 |
12 |
14381 |
x |
D |
-x+2,y-1/2,-z+1/2 |
3_745 |
35 |
13 |
14381 |
281.1 |
0.1 |
0.613 |
1 |
0 |
0 |
0.000 |
14 |
|
A |
34 |
13 |
14396 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
30 |
12 |
14396 |
254.5 |
-0.9 |
0.506 |
1 |
0 |
0 |
0.000 |
Average: |
281.4 |
-0.5 |
0.545 |
1 |
0 |
0 |
0.000 |
6 |
15 |
|
A |
30 |
11 |
14396 |
◊ |
D |
-x+3/2,-y+1,z-1/2 |
2_664 |
22 |
8 |
14381 |
257.0 |
0.3 |
0.651 |
4 |
3 |
0 |
0.000 |
16 |
|
B |
17 |
7 |
14311 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
22 |
9 |
14381 |
197.1 |
-0.1 |
0.531 |
2 |
2 |
0 |
0.000 |
17 |
|
F |
24 |
10 |
14338 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
14396 |
184.3 |
2.1 |
0.812 |
3 |
2 |
0 |
0.000 |
18 |
|
F |
15 |
7 |
14338 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
20 |
8 |
14311 |
154.7 |
2.3 |
0.840 |
2 |
3 |
0 |
0.000 |
Average: |
198.3 |
1.1 |
0.708 |
3 |
3 |
0 |
0.000 |
7 |
19 |
|
F |
27 |
9 |
14338 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
31 |
12 |
14311 |
256.2 |
0.2 |
0.626 |
0 |
0 |
0 |
0.000 |
20 |
|
D |
26 |
12 |
14381 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
20 |
8 |
14311 |
206.5 |
0.5 |
0.665 |
3 |
0 |
0 |
0.000 |
21 |
|
D |
10 |
6 |
14381 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
14396 |
112.5 |
-0.3 |
0.544 |
2 |
0 |
0 |
0.000 |
22 |
|
A |
13 |
7 |
14396 |
◊ |
F |
-x+3/2,-y,z-1/2 |
2_654 |
10 |
6 |
14338 |
82.0 |
-0.7 |
0.414 |
0 |
0 |
0 |
0.000 |
Average: |
164.3 |
-0.1 |
0.562 |
1 |
0 |
0 |
0.000 |
8 |
23 |
|
F |
20 |
6 |
14338 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
26 |
8 |
14381 |
156.0 |
0.8 |
0.712 |
4 |
0 |
0 |
0.000 |
24 |
|
A |
25 |
7 |
14396 |
◊ |
B |
x,y-1,z |
1_545 |
17 |
5 |
14311 |
155.7 |
1.1 |
0.731 |
5 |
0 |
0 |
0.000 |
Average: |
155.9 |
1.0 |
0.721 |
5 |
0 |
0 |
0.000 |
9 |
25 |
|
[PEG]A:402 |
7 |
1 |
262 |
◊ |
A |
x,y,z |
1_555 |
26 |
8 |
14396 |
136.8 |
3.9 |
0.451 |
2 |
0 |
0 |
0.000 |
10 |
26 |
|
[PGE]I:102 |
9 |
1 |
295 |
◊ |
A |
x,y,z |
1_555 |
18 |
10 |
14396 |
136.2 |
3.9 |
0.239 |
0 |
0 |
0 |
0.000 |
11 |
27 |
|
[BOC]G:1 |
6 |
1 |
252 |
◊ |
F |
x,y,z |
1_555 |
17 |
9 |
14338 |
132.5 |
3.0 |
0.331 |
0 |
0 |
0 |
0.000 |
28 |
|
[BOC]E:1 |
6 |
1 |
252 |
◊ |
D |
x,y,z |
1_555 |
17 |
9 |
14381 |
131.4 |
2.9 |
0.330 |
0 |
0 |
0 |
0.000 |
29 |
|
[BOC]I:1 |
6 |
1 |
253 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
14396 |
130.4 |
3.1 |
0.352 |
0 |
0 |
0 |
0.000 |
30 |
|
[BOC]C:1 |
6 |
1 |
252 |
◊ |
B |
x,y,z |
1_555 |
17 |
9 |
14311 |
127.8 |
3.1 |
0.356 |
0 |
0 |
0 |
0.000 |
Average: |
130.5 |
3.0 |
0.342 |
0 |
0 |
0 |
0.000 |
12 |
31 |
|
[MES]A:401 |
11 |
1 |
338 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
14396 |
121.7 |
2.6 |
0.054 |
0 |
0 |
0 |
0.000 |
13 |
32 |
|
[MES]A:401 |
9 |
1 |
338 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
14311 |
106.6 |
2.8 |
0.121 |
0 |
0 |
0 |
0.000 |
14 |
33 |
|
F |
15 |
6 |
14338 |
◊ |
[PEG]B:401 |
x,y-1,z |
1_545 |
7 |
1 |
264 |
103.5 |
2.6 |
0.279 |
0 |
0 |
0 |
0.000 |
15 |
34 |
|
[PEG]B:401 |
7 |
1 |
264 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
14311 |
86.2 |
2.1 |
0.248 |
3 |
0 |
0 |
0.000 |
16 |
35 |
|
[PGE]I:102 |
9 |
1 |
295 |
f |
I |
x,y,z |
1_555 |
8 |
3 |
685 |
75.0 |
1.8 |
0.144 |
0 |
0 |
0 |
0.000 |
17 |
36 |
|
[BOC]E:1 |
4 |
1 |
252 |
f |
E |
x,y,z |
1_555 |
5 |
2 |
688 |
55.1 |
-0.1 |
0.199 |
0 |
0 |
0 |
0.123 |
37 |
|
[BOC]I:1 |
4 |
1 |
253 |
cf |
I |
x,y,z |
1_555 |
5 |
2 |
685 |
54.0 |
-0.4 |
0.161 |
0 |
0 |
0 |
0.123 |
38 |
|
[BOC]C:1 |
4 |
1 |
252 |
cf |
C |
x,y,z |
1_555 |
5 |
2 |
686 |
53.5 |
-0.4 |
0.161 |
0 |
0 |
0 |
0.123 |
39 |
|
[BOC]G:1 |
5 |
1 |
252 |
cf |
G |
x,y,z |
1_555 |
5 |
2 |
691 |
52.5 |
-0.3 |
0.157 |
0 |
0 |
0 |
0.123 |
Average: |
53.8 |
-0.3 |
0.170 |
0 |
0 |
0 |
0.123 |
18 |
40 |
|
[FOR]G:101 |
2 |
1 |
141 |
cf |
G |
x,y,z |
1_555 |
4 |
1 |
691 |
49.4 |
-0.3 |
0.693 |
0 |
0 |
0 |
0.062 |
41 |
|
[FOR]E:101 |
2 |
1 |
140 |
cf |
E |
x,y,z |
1_555 |
4 |
1 |
688 |
48.8 |
-0.2 |
0.709 |
0 |
0 |
0 |
0.062 |
Average: |
49.1 |
-0.3 |
0.701 |
0 |
0 |
0 |
0.062 |
19 |
42 |
|
[FOR]C:101 |
2 |
1 |
140 |
cf |
C |
x,y,z |
1_555 |
4 |
1 |
686 |
49.0 |
-0.3 |
0.694 |
0 |
0 |
0 |
0.105 |
20 |
43 |
|
[FOR]C:101 |
2 |
1 |
140 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
14311 |
40.7 |
0.1 |
0.779 |
0 |
0 |
0 |
0.000 |
21 |
44 |
|
[PGE]I:102 |
6 |
1 |
295 |
f |
[FOR]I:101 |
x,y,z |
1_555 |
2 |
1 |
141 |
39.9 |
0.5 |
0.130 |
0 |
0 |
0 |
0.000 |
22 |
45 |
|
[FOR]E:101 |
2 |
1 |
140 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
14381 |
38.7 |
0.0 |
0.782 |
0 |
0 |
0 |
0.000 |
46 |
|
[FOR]G:101 |
2 |
1 |
141 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
14338 |
38.3 |
0.1 |
0.785 |
0 |
0 |
0 |
0.000 |
Average: |
38.5 |
0.1 |
0.784 |
0 |
0 |
0 |
0.000 |
23 |
47 |
|
[FOR]I:101 |
2 |
1 |
141 |
cf |
I |
x,y,z |
1_555 |
4 |
1 |
685 |
36.0 |
-0.2 |
0.701 |
0 |
0 |
0 |
0.000 |
24 |
48 |
|
[FOR]I:101 |
2 |
1 |
141 |
f |
[PEG]A:402 |
x,y,z |
1_555 |
4 |
1 |
262 |
32.0 |
0.8 |
0.333 |
1 |
0 |
0 |
0.000 |
25 |
49 |
|
G |
3 |
1 |
691 |
◊ |
D |
-x+2,y-1/2,-z+1/2 |
3_745 |
2 |
1 |
14381 |
30.7 |
0.5 |
0.730 |
0 |
0 |
0 |
0.000 |
26 |
50 |
|
[FOR]I:101 |
2 |
1 |
141 |
◊ |
A |
x,y,z |
1_555 |
7 |
5 |
14396 |
30.0 |
0.2 |
0.779 |
0 |
0 |
0 |
0.000 |
27 |
51 |
|
F |
2 |
1 |
14338 |
◊ |
[PEG]A:402 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
262 |
29.4 |
0.9 |
0.316 |
1 |
0 |
0 |
0.000 |
28 |
52 |
|
[PEG]A:402 |
3 |
1 |
262 |
f |
I |
x,y,z |
1_555 |
3 |
1 |
685 |
28.6 |
0.5 |
0.335 |
0 |
0 |
0 |
0.000 |
29 |
53 |
|
[BOC]G:1 |
3 |
1 |
252 |
◊ |
D |
-x+2,y-1/2,-z+1/2 |
3_745 |
2 |
1 |
14381 |
21.1 |
0.3 |
0.295 |
0 |
0 |
0 |
0.000 |
54 |
|
[BOC]C:1 |
1 |
1 |
252 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14396 |
2.9 |
0.0 |
0.351 |
0 |
0 |
0 |
0.000 |
Average: |
12.0 |
0.2 |
0.323 |
0 |
0 |
0 |
0.000 |
30 |
55 |
|
A |
1 |
1 |
14396 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
14338 |
11.4 |
0.4 |
0.849 |
0 |
0 |
0 |
0.000 |
31 |
56 |
|
B |
1 |
1 |
14311 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
14381 |
10.3 |
0.6 |
0.901 |
0 |
0 |
0 |
0.000 |
57 |
|
F |
1 |
1 |
14338 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14311 |
10.0 |
0.5 |
0.853 |
0 |
0 |
0 |
0.000 |
58 |
|
A |
1 |
1 |
14396 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
14381 |
4.7 |
0.3 |
0.813 |
0 |
0 |
0 |
0.000 |
Average: |
8.3 |
0.4 |
0.856 |
0 |
0 |
0 |
0.000 |
32 |
59 |
|
A |
1 |
1 |
14396 |
◊ |
[FOR]E:101 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
140 |
9.9 |
0.2 |
0.689 |
0 |
0 |
0 |
0.000 |
33 |
60 |
|
[FOR]C:101 |
1 |
1 |
140 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
14381 |
9.7 |
0.2 |
0.689 |
0 |
0 |
0 |
0.000 |
34 |
61 |
|
[BOC]C:1 |
1 |
1 |
252 |
f |
[MES]A:401 |
x,y,z |
1_555 |
1 |
1 |
338 |
8.6 |
0.4 |
0.289 |
0 |
0 |
0 |
0.000 |
35 |
62 |
|
[FOR]G:101 |
1 |
1 |
141 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
14311 |
8.0 |
0.2 |
0.676 |
0 |
0 |
0 |
0.000 |
36 |
63 |
|
[PGE]I:102 |
2 |
1 |
295 |
f |
[PEG]A:402 |
x,y,z |
1_555 |
2 |
1 |
262 |
4.7 |
0.2 |
0.111 |
0 |
0 |
0 |
0.000 |
|