## |
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 |
|
B |
126 |
31 |
13951 |
◊ |
A |
x,y,z |
1_555 |
147 |
45 |
13905 |
1287.8 |
-7.8 |
0.361 |
20 |
15 |
0 |
0.543 |
2 |
|
C |
145 |
44 |
13799 |
◊ |
A |
x,y,z |
1_555 |
129 |
31 |
13905 |
1282.8 |
-8.0 |
0.400 |
23 |
15 |
0 |
0.543 |
3 |
|
C |
124 |
30 |
13799 |
◊ |
B |
x,y,z |
1_555 |
145 |
44 |
13951 |
1280.2 |
-8.6 |
0.282 |
23 |
15 |
0 |
0.543 |
Average: |
1283.6 |
-8.1 |
0.348 |
22 |
15 |
0 |
0.543 |
2 |
4 |
|
A |
71 |
20 |
13905 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
82 |
26 |
13905 |
688.3 |
-4.7 |
0.445 |
5 |
1 |
0 |
0.000 |
3 |
5 |
|
C |
35 |
12 |
13799 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
33 |
12 |
13951 |
313.8 |
0.5 |
0.690 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
C |
40 |
9 |
13799 |
x |
C |
-x-1,y-1/2,-z-1/2 |
3_444 |
34 |
10 |
13799 |
310.8 |
-1.2 |
0.627 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
34 |
13 |
13951 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
36 |
14 |
13951 |
307.4 |
1.3 |
0.766 |
7 |
3 |
0 |
0.000 |
6 |
8 |
|
A |
38 |
10 |
13905 |
◊ |
C |
-x-1,y-1/2,-z-1/2 |
3_444 |
33 |
12 |
13799 |
296.1 |
-1.0 |
0.624 |
3 |
0 |
0 |
0.000 |
7 |
9 |
|
[PE5]C:404 |
11 |
1 |
364 |
f |
C |
x,y,z |
1_555 |
34 |
13 |
13799 |
196.3 |
7.6 |
0.347 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
[PE5]B:410 |
10 |
1 |
336 |
f |
B |
x,y,z |
1_555 |
34 |
13 |
13951 |
195.3 |
7.1 |
0.540 |
0 |
0 |
0 |
0.000 |
9 |
11 |
|
C |
25 |
8 |
13799 |
◊ |
A |
x-1,y,z |
1_455 |
21 |
7 |
13905 |
193.2 |
0.6 |
0.755 |
3 |
3 |
0 |
0.000 |
10 |
12 |
|
[PEG]A:405 |
7 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
32 |
12 |
13905 |
163.5 |
4.4 |
0.555 |
2 |
0 |
0 |
0.000 |
11 |
13 |
|
B |
23 |
9 |
13951 |
◊ |
[PE5]A:403 |
x-1/2,-y-1/2,-z |
4_445 |
12 |
1 |
453 |
162.5 |
5.9 |
0.204 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
C |
17 |
5 |
13799 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
16 |
5 |
13905 |
161.3 |
-1.3 |
0.452 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
[PEG]A:406 |
7 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
13905 |
147.1 |
3.9 |
0.444 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
[PEG]B:405 |
7 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
25 |
8 |
13951 |
145.9 |
3.6 |
0.405 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
[PEG]C:406 |
7 |
1 |
256 |
f |
C |
x,y,z |
1_555 |
28 |
8 |
13799 |
142.0 |
3.2 |
0.418 |
0 |
0 |
0 |
0.000 |
16 |
18 |
|
[PEG]C:409 |
7 |
1 |
245 |
◊ |
C |
x,y,z |
1_555 |
24 |
10 |
13799 |
137.7 |
2.8 |
0.387 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[PE5]A:403 |
12 |
1 |
453 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
13951 |
137.3 |
2.8 |
0.044 |
0 |
0 |
0 |
0.000 |
18 |
20 |
|
[PEG]A:408 |
7 |
1 |
257 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
13905 |
136.4 |
3.6 |
0.417 |
1 |
0 |
0 |
0.000 |
19 |
21 |
|
B |
14 |
8 |
13951 |
◊ |
C |
-x-1,y-1/2,-z-1/2 |
3_444 |
19 |
9 |
13799 |
135.7 |
-0.3 |
0.615 |
0 |
0 |
0 |
0.000 |
20 |
22 |
|
B |
17 |
5 |
13951 |
◊ |
A |
x-1,y,z |
1_455 |
10 |
3 |
13905 |
127.9 |
1.0 |
0.785 |
1 |
0 |
0 |
0.000 |
21 |
23 |
|
[CP]A:402 |
8 |
1 |
252 |
f |
A |
x,y,z |
1_555 |
21 |
13 |
13905 |
127.5 |
-2.8 |
0.766 |
15 |
0 |
0 |
0.168 |
24 |
|
[CP]B:402 |
8 |
1 |
250 |
f |
B |
x,y,z |
1_555 |
23 |
13 |
13951 |
126.4 |
-2.6 |
0.785 |
15 |
0 |
0 |
0.168 |
Average: |
126.9 |
-2.7 |
0.775 |
15 |
0 |
0 |
0.168 |
22 |
25 |
|
[CP]C:403 |
8 |
1 |
251 |
f |
C |
x,y,z |
1_555 |
20 |
13 |
13799 |
125.9 |
-2.7 |
0.742 |
13 |
0 |
0 |
0.076 |
23 |
26 |
|
[PEG]B:403 |
7 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
13951 |
123.8 |
3.4 |
0.371 |
2 |
0 |
0 |
0.000 |
24 |
27 |
|
[PEG]C:405 |
5 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
20 |
7 |
13799 |
121.3 |
4.2 |
0.372 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
[PEG]B:409 |
6 |
1 |
245 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
13951 |
119.9 |
3.0 |
0.174 |
0 |
0 |
0 |
0.000 |
26 |
29 |
|
A |
18 |
6 |
13905 |
f |
[PEG]A:404 |
-x,y-1/2,-z-1/2 |
3_544 |
7 |
1 |
251 |
113.2 |
2.5 |
0.322 |
3 |
0 |
0 |
0.000 |
27 |
30 |
|
[PEG]B:411 |
5 |
1 |
222 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
13951 |
110.0 |
3.8 |
0.333 |
1 |
0 |
0 |
0.000 |
28 |
31 |
|
[PEG]B:407 |
7 |
1 |
259 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
13905 |
107.5 |
1.3 |
0.205 |
0 |
0 |
0 |
0.000 |
29 |
32 |
|
[PEG]A:404 |
7 |
1 |
251 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
13905 |
106.1 |
2.2 |
0.270 |
0 |
0 |
0 |
0.000 |
30 |
33 |
|
[PEG]B:408 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
13951 |
100.7 |
2.7 |
0.484 |
4 |
0 |
0 |
0.000 |
31 |
34 |
|
[PEG]A:412 |
6 |
1 |
263 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
13799 |
100.6 |
3.1 |
0.443 |
2 |
0 |
0 |
0.000 |
32 |
35 |
|
[PEG]A:409 |
7 |
1 |
263 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
13905 |
99.9 |
2.3 |
0.287 |
3 |
0 |
0 |
0.000 |
33 |
36 |
|
[PEG]A:410 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
13905 |
98.0 |
2.3 |
0.602 |
1 |
0 |
0 |
0.000 |
34 |
37 |
|
[PEG]A:413 |
6 |
1 |
255 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
13905 |
96.0 |
3.1 |
0.450 |
0 |
0 |
0 |
0.000 |
35 |
38 |
|
[PEG]A:409 |
7 |
1 |
263 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
15 |
6 |
13905 |
93.4 |
1.9 |
0.256 |
0 |
0 |
0 |
0.000 |
36 |
39 |
|
[PEG]B:403 |
6 |
1 |
259 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
10 |
3 |
13951 |
82.0 |
1.9 |
0.287 |
0 |
0 |
0 |
0.000 |
37 |
40 |
|
A |
13 |
6 |
13905 |
◊ |
[PEG]C:407 |
-x,y-1/2,-z-1/2 |
3_544 |
7 |
1 |
252 |
79.3 |
1.9 |
0.272 |
0 |
0 |
0 |
0.000 |
38 |
41 |
|
[PEG]C:407 |
7 |
1 |
252 |
◊ |
C |
x,y,z |
1_555 |
16 |
4 |
13799 |
77.5 |
1.6 |
0.255 |
0 |
0 |
0 |
0.000 |
39 |
42 |
|
[CL]C:402 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
13799 |
69.2 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.338 |
43 |
|
[CL]B:404 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
13951 |
69.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.338 |
44 |
|
[CL]A:407 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
13905 |
68.7 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.338 |
Average: |
69.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.338 |
40 |
45 |
|
[CL]B:406 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
13951 |
65.4 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.285 |
46 |
|
[CL]A:411 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
13905 |
65.4 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.285 |
47 |
|
[CL]C:408 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
13799 |
64.5 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.285 |
Average: |
65.1 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.285 |
41 |
48 |
|
A |
11 |
4 |
13905 |
◊ |
[PEG]A:412 |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
1 |
263 |
63.5 |
0.8 |
0.191 |
0 |
0 |
0 |
0.000 |
42 |
49 |
|
B |
9 |
4 |
13951 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
7 |
2 |
13905 |
62.6 |
-0.3 |
0.533 |
0 |
0 |
0 |
0.000 |
43 |
50 |
|
[PE5]A:403 |
6 |
1 |
453 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
13905 |
61.7 |
1.7 |
0.146 |
0 |
0 |
0 |
0.000 |
44 |
51 |
|
[PEG]A:412 |
6 |
1 |
263 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
13905 |
58.7 |
1.2 |
0.202 |
0 |
0 |
0 |
0.000 |
45 |
52 |
|
[PEG]C:409 |
5 |
1 |
245 |
◊ |
C |
-x-1,y-1/2,-z-1/2 |
3_444 |
3 |
2 |
13799 |
37.2 |
1.0 |
0.227 |
0 |
0 |
0 |
0.000 |
46 |
53 |
|
B |
5 |
1 |
13951 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
13799 |
35.2 |
-0.9 |
0.173 |
0 |
0 |
0 |
0.000 |
47 |
54 |
|
[CP]A:402 |
3 |
1 |
252 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
13951 |
34.2 |
-1.8 |
0.607 |
1 |
0 |
0 |
0.040 |
55 |
|
[CP]B:402 |
4 |
1 |
250 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
13799 |
33.5 |
-1.8 |
0.690 |
1 |
0 |
0 |
0.040 |
Average: |
33.9 |
-1.8 |
0.648 |
1 |
0 |
0 |
0.040 |
48 |
56 |
|
[CP]C:403 |
3 |
1 |
251 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
13905 |
33.2 |
-1.7 |
0.611 |
1 |
0 |
0 |
0.019 |
49 |
57 |
|
B |
2 |
1 |
13951 |
◊ |
[PEG]B:411 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
222 |
32.3 |
1.7 |
0.754 |
0 |
0 |
0 |
0.000 |
50 |
58 |
|
A |
6 |
3 |
13905 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
3 |
13799 |
30.1 |
0.3 |
0.686 |
0 |
0 |
0 |
0.000 |
51 |
59 |
|
[PEG]B:407 |
2 |
1 |
259 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
13951 |
28.4 |
-0.3 |
0.246 |
1 |
0 |
0 |
0.007 |
52 |
60 |
|
[PEG]C:407 |
3 |
1 |
252 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
13905 |
28.1 |
-0.8 |
0.175 |
0 |
0 |
0 |
0.007 |
53 |
61 |
|
[PEG]C:409 |
3 |
1 |
245 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
13905 |
27.9 |
0.4 |
0.284 |
0 |
0 |
0 |
0.000 |
54 |
62 |
|
[PEG]B:403 |
6 |
1 |
259 |
f |
[PEG]B:411 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
222 |
26.0 |
0.8 |
0.086 |
0 |
0 |
0 |
0.000 |
55 |
63 |
|
B |
2 |
1 |
13951 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
13905 |
25.9 |
0.3 |
0.724 |
0 |
0 |
0 |
0.000 |
56 |
64 |
|
B |
3 |
2 |
13951 |
f |
[PEG]A:413 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
255 |
24.1 |
-0.0 |
0.190 |
0 |
0 |
0 |
0.000 |
57 |
65 |
|
[PEG]A:410 |
2 |
1 |
185 |
f |
A |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
2 |
13905 |
11.3 |
0.7 |
0.605 |
0 |
0 |
0 |
0.000 |
58 |
66 |
|
B |
1 |
1 |
13951 |
◊ |
[CL]C:408 |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
125 |
2.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
67 |
|
A |
1 |
1 |
13905 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
13951 |
2.3 |
0.1 |
0.743 |
0 |
0 |
0 |
0.000 |
60 |
68 |
|
[PEG]A:408 |
1 |
1 |
257 |
f |
C |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
13799 |
0.8 |
-0.0 |
0.276 |
0 |
0 |
0 |
0.000 |
61 |
69 |
|
[PEG]C:407 |
1 |
1 |
252 |
f |
[PEG]A:412 |
x,y,z |
1_555 |
1 |
1 |
263 |
0.2 |
0.0 |
0.202 |
0 |
0 |
0 |
0.000 |
|