## |
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 |
|
E |
181 |
45 |
18169 |
◊ |
D |
x,y,z |
1_555 |
161 |
46 |
25961 |
1596.0 |
-14.4 |
0.198 |
20 |
10 |
0 |
0.784 |
2 |
|
B |
174 |
44 |
18351 |
◊ |
A |
x,y,z |
1_555 |
166 |
44 |
26041 |
1584.1 |
-11.8 |
0.301 |
19 |
8 |
0 |
0.784 |
Average: |
1590.1 |
-13.1 |
0.250 |
20 |
9 |
0 |
0.784 |
2 |
3 |
|
C |
115 |
35 |
12716 |
◊ |
A |
x,y,z |
1_555 |
108 |
31 |
26041 |
1014.3 |
-1.4 |
0.604 |
20 |
13 |
0 |
0.226 |
4 |
|
F |
115 |
35 |
12479 |
◊ |
D |
x,y,z |
1_555 |
107 |
31 |
25961 |
998.1 |
-3.2 |
0.464 |
19 |
11 |
0 |
0.226 |
Average: |
1006.2 |
-2.3 |
0.534 |
20 |
12 |
0 |
0.226 |
3 |
5 |
|
E |
104 |
29 |
18169 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
100 |
28 |
18351 |
934.8 |
3.9 |
0.891 |
19 |
5 |
0 |
0.000 |
4 |
6 |
|
F |
73 |
17 |
12479 |
◊ |
E |
x,y,z |
1_555 |
74 |
20 |
18169 |
672.0 |
-5.1 |
0.298 |
7 |
4 |
0 |
0.167 |
7 |
|
C |
71 |
18 |
12716 |
◊ |
B |
x,y,z |
1_555 |
64 |
18 |
18351 |
618.7 |
-7.4 |
0.153 |
7 |
4 |
0 |
0.167 |
Average: |
645.3 |
-6.3 |
0.225 |
7 |
4 |
0 |
0.167 |
5 |
8 |
|
H |
50 |
7 |
1274 |
◊ |
C |
x,y,z |
1_555 |
80 |
27 |
12716 |
650.4 |
4.2 |
0.426 |
10 |
0 |
0 |
0.000 |
9 |
|
G |
47 |
6 |
1242 |
◊ |
F |
x,y,z |
1_555 |
76 |
26 |
12479 |
623.4 |
4.3 |
0.527 |
9 |
0 |
0 |
0.000 |
Average: |
636.9 |
4.3 |
0.476 |
10 |
0 |
0 |
0.000 |
6 |
10 |
|
A |
48 |
13 |
26041 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
44 |
15 |
26041 |
439.4 |
-1.3 |
0.570 |
7 |
3 |
0 |
0.000 |
7 |
11 |
|
E |
39 |
11 |
18169 |
◊ |
F |
x-1/2,-y+3/2,-z |
4_465 |
49 |
16 |
12479 |
382.0 |
-1.1 |
0.519 |
5 |
0 |
0 |
0.000 |
12 |
|
C |
39 |
12 |
12716 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
34 |
8 |
18351 |
336.9 |
-2.1 |
0.415 |
3 |
0 |
0 |
0.000 |
Average: |
359.5 |
-1.6 |
0.467 |
4 |
0 |
0 |
0.000 |
8 |
13 |
|
B |
48 |
13 |
18351 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
38 |
10 |
26041 |
381.3 |
-3.4 |
0.301 |
2 |
0 |
0 |
0.000 |
9 |
14 |
|
E |
34 |
10 |
18169 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
39 |
13 |
26041 |
353.8 |
0.8 |
0.682 |
4 |
6 |
0 |
0.000 |
15 |
|
D |
39 |
13 |
25961 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
39 |
10 |
18351 |
353.6 |
-1.5 |
0.463 |
3 |
4 |
0 |
0.000 |
Average: |
353.7 |
-0.3 |
0.573 |
4 |
5 |
0 |
0.000 |
10 |
16 |
|
D |
36 |
12 |
25961 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
39 |
11 |
25961 |
328.0 |
-0.0 |
0.669 |
4 |
2 |
0 |
0.000 |
11 |
17 |
|
B |
38 |
12 |
18351 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
26 |
8 |
12716 |
288.1 |
2.8 |
0.840 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
F |
30 |
8 |
12479 |
◊ |
E |
x-1/2,-y+3/2,-z |
4_465 |
33 |
11 |
18169 |
272.1 |
-1.0 |
0.484 |
0 |
1 |
0 |
0.000 |
13 |
19 |
|
D |
27 |
7 |
25961 |
◊ |
F |
x-1/2,-y+3/2,-z |
4_465 |
29 |
12 |
12479 |
270.1 |
-2.4 |
0.289 |
6 |
0 |
0 |
0.000 |
20 |
|
C |
29 |
11 |
12716 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
29 |
8 |
26041 |
267.0 |
-2.5 |
0.316 |
5 |
0 |
0 |
0.000 |
Average: |
268.6 |
-2.4 |
0.302 |
6 |
0 |
0 |
0.000 |
14 |
21 |
|
C |
26 |
9 |
12716 |
◊ |
D |
x,y,z |
1_555 |
36 |
13 |
25961 |
245.9 |
-2.7 |
0.279 |
1 |
0 |
0 |
0.000 |
22 |
|
F |
22 |
7 |
12479 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
26041 |
213.9 |
-1.6 |
0.392 |
1 |
0 |
0 |
0.000 |
Average: |
229.9 |
-2.1 |
0.335 |
1 |
0 |
0 |
0.000 |
15 |
23 |
|
D |
33 |
11 |
25961 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
20 |
8 |
18351 |
223.2 |
2.3 |
0.856 |
3 |
2 |
0 |
0.000 |
24 |
|
E |
21 |
9 |
18169 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
26 |
10 |
26041 |
176.3 |
1.3 |
0.786 |
2 |
1 |
0 |
0.000 |
Average: |
199.7 |
1.8 |
0.821 |
3 |
2 |
0 |
0.000 |
16 |
25 |
|
[PEG]B:604 |
7 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
22 |
9 |
18351 |
160.6 |
3.6 |
0.424 |
2 |
0 |
0 |
0.000 |
17 |
26 |
|
[MLI]E:704 |
7 |
1 |
224 |
f |
E |
x,y,z |
1_555 |
25 |
9 |
18169 |
149.5 |
2.7 |
0.396 |
1 |
0 |
0 |
0.000 |
18 |
27 |
|
[PEG]B:603 |
7 |
1 |
262 |
f |
B |
x,y,z |
1_555 |
26 |
10 |
18351 |
147.8 |
2.6 |
0.343 |
2 |
0 |
0 |
0.000 |
19 |
28 |
|
[PEG]E:703 |
7 |
1 |
261 |
f |
E |
x,y,z |
1_555 |
25 |
9 |
18169 |
147.5 |
2.9 |
0.363 |
2 |
0 |
0 |
0.000 |
20 |
29 |
|
[MLI]F:403 |
7 |
1 |
222 |
f |
F |
x,y,z |
1_555 |
22 |
8 |
12479 |
146.4 |
2.9 |
0.407 |
1 |
0 |
0 |
0.000 |
30 |
|
[MLI]C:405 |
7 |
1 |
225 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
12716 |
143.0 |
3.1 |
0.439 |
2 |
0 |
0 |
0.000 |
Average: |
144.7 |
3.0 |
0.423 |
2 |
0 |
0 |
0.000 |
21 |
31 |
|
[PEG]A:604 |
7 |
1 |
265 |
◊ |
A |
x,y,z |
1_555 |
29 |
9 |
26041 |
140.6 |
2.5 |
0.318 |
1 |
0 |
0 |
0.000 |
22 |
32 |
|
[PEG]C:404 |
7 |
1 |
262 |
f |
C |
x,y,z |
1_555 |
25 |
10 |
12716 |
137.7 |
4.5 |
0.388 |
4 |
0 |
0 |
0.000 |
23 |
33 |
|
[PEG]A:602 |
7 |
1 |
257 |
◊ |
A |
x,y,z |
1_555 |
24 |
8 |
26041 |
132.1 |
3.0 |
0.366 |
1 |
0 |
0 |
0.000 |
24 |
34 |
|
[PEG]A:603 |
7 |
1 |
259 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
26041 |
128.2 |
3.3 |
0.372 |
5 |
0 |
0 |
0.000 |
25 |
35 |
|
[PEG]A:601 |
7 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
26041 |
125.3 |
2.4 |
0.293 |
2 |
0 |
0 |
0.000 |
26 |
36 |
|
D |
11 |
5 |
25961 |
◊ |
E |
x-1/2,-y+3/2,-z |
4_465 |
18 |
5 |
18169 |
116.6 |
-0.9 |
0.493 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
[PEG]D:601 |
7 |
1 |
259 |
◊ |
D |
x,y,z |
1_555 |
22 |
6 |
25961 |
115.3 |
1.6 |
0.246 |
1 |
0 |
0 |
0.000 |
28 |
38 |
|
[PEG]D:602 |
7 |
1 |
259 |
◊ |
D |
x,y,z |
1_555 |
18 |
7 |
25961 |
114.8 |
3.4 |
0.383 |
1 |
0 |
0 |
0.000 |
29 |
39 |
|
[PEG]C:403 |
7 |
1 |
252 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
18351 |
111.1 |
1.6 |
0.234 |
1 |
0 |
0 |
0.000 |
30 |
40 |
|
[PEG]C:403 |
7 |
1 |
252 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
12716 |
99.8 |
2.6 |
0.287 |
1 |
0 |
0 |
0.000 |
31 |
41 |
|
D |
10 |
5 |
25961 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
9 |
6 |
26041 |
69.7 |
-0.8 |
0.431 |
0 |
0 |
0 |
0.000 |
32 |
42 |
|
E |
7 |
2 |
18169 |
◊ |
[PEG]A:604 |
-x+3/2,-y+1,z-1/2 |
2_664 |
7 |
1 |
265 |
63.9 |
1.1 |
0.148 |
0 |
0 |
0 |
0.000 |
33 |
43 |
|
[PEG]D:602 |
4 |
1 |
259 |
f |
F |
x,y,z |
1_555 |
6 |
2 |
12479 |
63.8 |
2.5 |
0.460 |
1 |
0 |
0 |
0.000 |
34 |
44 |
|
[MN]C:401 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
12716 |
50.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.084 |
45 |
|
[MN]F:401 |
1 |
1 |
123 |
f |
F |
x,y,z |
1_555 |
8 |
6 |
12479 |
49.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.084 |
Average: |
50.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.084 |
35 |
46 |
|
[MN]C:402 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
12716 |
50.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.087 |
47 |
|
[MN]F:402 |
1 |
1 |
123 |
f |
F |
x,y,z |
1_555 |
11 |
9 |
12479 |
49.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.087 |
Average: |
50.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.087 |
36 |
48 |
|
[PEG]A:603 |
4 |
1 |
259 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
12479 |
47.0 |
0.5 |
0.172 |
0 |
0 |
0 |
0.000 |
37 |
49 |
|
[CA]E:702 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
8 |
5 |
18169 |
45.8 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.388 |
50 |
|
[CA]B:602 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
18351 |
44.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.388 |
Average: |
45.1 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.388 |
38 |
51 |
|
[CA]B:601 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
18351 |
42.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.340 |
39 |
52 |
|
[MN]F:402 |
1 |
1 |
123 |
f |
[MN]F:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
24.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.041 |
40 |
53 |
|
[MN]C:402 |
1 |
1 |
123 |
f |
[MN]C:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
23.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.035 |
41 |
54 |
|
[PEG]A:604 |
2 |
1 |
265 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
18351 |
21.9 |
0.0 |
0.306 |
0 |
0 |
0 |
0.000 |
42 |
55 |
|
[MN]C:402 |
1 |
1 |
123 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
1274 |
14.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
56 |
|
[MN]F:402 |
1 |
1 |
123 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
1242 |
13.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
13.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
57 |
|
E |
4 |
1 |
18169 |
f |
[PEG]A:602 |
-x+3/2,-y+1,z-1/2 |
2_664 |
2 |
1 |
257 |
12.5 |
-0.2 |
0.255 |
0 |
0 |
0 |
0.007 |
44 |
58 |
|
E |
1 |
1 |
18169 |
f |
[PEG]A:603 |
x-1/2,-y+3/2,-z |
4_465 |
2 |
1 |
259 |
12.2 |
-0.0 |
0.294 |
0 |
0 |
0 |
0.000 |
45 |
59 |
|
D |
1 |
1 |
25961 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
26041 |
11.1 |
-0.4 |
0.251 |
0 |
0 |
0 |
0.000 |
46 |
60 |
|
[PEG]D:601 |
2 |
1 |
259 |
f |
E |
x,y,z |
1_555 |
2 |
2 |
18169 |
7.2 |
0.1 |
0.294 |
0 |
0 |
0 |
0.000 |
47 |
61 |
|
[PEG]B:604 |
1 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
26041 |
6.5 |
-0.0 |
0.248 |
0 |
0 |
0 |
0.000 |
48 |
62 |
|
[MN]F:401 |
1 |
1 |
123 |
◊ |
G |
x,y,z |
1_555 |
2 |
2 |
1242 |
4.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
|
[MN]C:401 |
1 |
1 |
123 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
1274 |
2.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
3.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|