| ## |
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 |
|
D |
358 |
91 |
23992 |
◊ |
C |
x,y,z |
1_555 |
363 |
90 |
22734 |
3542.5 |
-30.0 |
0.063 |
56 |
30 |
0 |
0.557 |
2 |
|
B |
359 |
92 |
23597 |
◊ |
A |
x,y,z |
1_555 |
358 |
88 |
23377 |
3514.8 |
-29.1 |
0.143 |
54 |
31 |
0 |
0.557 |
| Average: |
3528.6 |
-29.5 |
0.103 |
55 |
31 |
0 |
0.557 |
| 2 |
3 |
|
D |
249 |
59 |
23992 |
◊ |
A |
x,y,z |
1_555 |
255 |
62 |
23377 |
2349.4 |
-13.8 |
0.374 |
39 |
21 |
0 |
0.423 |
4 |
|
C |
229 |
54 |
22734 |
◊ |
B |
x,y,z |
1_555 |
236 |
54 |
23597 |
2144.1 |
-17.7 |
0.176 |
35 |
17 |
0 |
0.423 |
| Average: |
2246.8 |
-15.7 |
0.275 |
37 |
19 |
0 |
0.423 |
| 3 |
5 |
|
D |
185 |
45 |
23992 |
◊ |
B |
x,y,z |
1_555 |
185 |
47 |
23597 |
1736.4 |
-7.6 |
0.492 |
18 |
15 |
0 |
0.236 |
6 |
|
C |
165 |
43 |
22734 |
◊ |
A |
x,y,z |
1_555 |
176 |
44 |
23377 |
1613.7 |
-2.6 |
0.678 |
20 |
15 |
0 |
0.236 |
| Average: |
1675.1 |
-5.1 |
0.585 |
19 |
15 |
0 |
0.236 |
| 4 |
7 |
|
A |
62 |
16 |
23377 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
81 |
21 |
23597 |
605.1 |
-3.7 |
0.508 |
3 |
5 |
0 |
0.000 |
| 5 |
8 |
|
D |
57 |
13 |
23992 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
46 |
13 |
22734 |
430.9 |
-0.4 |
0.599 |
5 |
5 |
0 |
0.019 |
| 6 |
9 |
|
D |
47 |
16 |
23992 |
x |
D |
-x,y-1/2,-z-1/2 |
3_544 |
37 |
12 |
23992 |
391.6 |
2.0 |
0.796 |
7 |
6 |
0 |
0.000 |
| 7 |
10 |
|
A |
27 |
7 |
23377 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
31 |
12 |
23992 |
297.7 |
-1.0 |
0.544 |
4 |
0 |
0 |
0.000 |
| 8 |
11 |
|
A |
29 |
11 |
23377 |
◊ |
C |
x-1,y,z |
1_455 |
32 |
13 |
22734 |
260.8 |
0.1 |
0.675 |
2 |
0 |
0 |
0.004 |
| 9 |
12 |
|
A |
24 |
9 |
23377 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
24 |
8 |
23597 |
162.7 |
0.3 |
0.701 |
1 |
3 |
0 |
0.000 |
| 10 |
13 |
|
[PEG]A:502 |
7 |
1 |
258 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
23377 |
151.8 |
5.0 |
0.581 |
2 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[PEG]C:502 |
7 |
1 |
257 |
◊ |
C |
x,y,z |
1_555 |
22 |
8 |
22734 |
151.2 |
4.1 |
0.476 |
2 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[GOL]D:502 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
27 |
9 |
23992 |
145.1 |
-0.5 |
0.539 |
4 |
0 |
0 |
0.029 |
| 13 |
16 |
|
[GOL]C:503 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
27 |
10 |
22734 |
142.4 |
-0.8 |
0.484 |
5 |
0 |
0 |
0.036 |
| 14 |
17 |
|
[GOL]A:503 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
23377 |
142.1 |
-0.9 |
0.513 |
5 |
0 |
0 |
0.059 |
18 |
|
[GOL]B:501 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
27 |
10 |
23597 |
141.7 |
-0.8 |
0.506 |
5 |
0 |
0 |
0.059 |
| Average: |
141.9 |
-0.9 |
0.510 |
5 |
0 |
0 |
0.059 |
| 15 |
19 |
|
[PEG]C:501 |
7 |
1 |
258 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
22734 |
126.7 |
2.9 |
0.329 |
1 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[PEG]A:501 |
7 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
23377 |
124.0 |
2.6 |
0.224 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
D |
7 |
2 |
23992 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
15 |
4 |
23597 |
102.8 |
-1.5 |
0.243 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
D |
9 |
5 |
23992 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
5 |
22734 |
101.9 |
0.9 |
0.756 |
2 |
0 |
0 |
0.000 |
| 19 |
23 |
|
B |
13 |
4 |
23597 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
10 |
3 |
23597 |
94.4 |
1.0 |
0.725 |
1 |
2 |
0 |
0.000 |
| 20 |
24 |
|
B |
10 |
3 |
23597 |
x |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
11 |
4 |
23597 |
93.0 |
-0.4 |
0.561 |
1 |
0 |
0 |
0.000 |
| 21 |
25 |
|
A |
14 |
6 |
23377 |
f |
[PEG]C:501 |
x-1,y,z |
1_455 |
6 |
1 |
258 |
87.6 |
2.4 |
0.349 |
0 |
0 |
0 |
0.000 |
| 22 |
26 |
|
B |
13 |
7 |
23597 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
3 |
23377 |
81.5 |
0.6 |
0.735 |
0 |
0 |
0 |
0.000 |
| 23 |
27 |
|
[GOL]C:504 |
6 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
23992 |
80.2 |
0.4 |
0.661 |
1 |
0 |
0 |
0.000 |
| 24 |
28 |
|
[GOL]A:504 |
5 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
23597 |
78.1 |
0.4 |
0.676 |
1 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[CL]D:506 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
21 |
8 |
23992 |
76.1 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.132 |
| 26 |
30 |
|
[GOL]D:503 |
5 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
22734 |
75.6 |
0.2 |
0.640 |
1 |
0 |
0 |
0.002 |
| 27 |
31 |
|
[GOL]A:504 |
5 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
23377 |
70.6 |
-0.1 |
0.577 |
2 |
0 |
0 |
0.012 |
| 28 |
32 |
|
[CL]A:505 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
23377 |
68.2 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.264 |
33 |
|
[CL]B:503 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
23597 |
67.8 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.264 |
34 |
|
[CL]C:505 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
22734 |
67.6 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.264 |
35 |
|
[CL]D:505 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
23992 |
67.0 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.264 |
| Average: |
67.7 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.264 |
| 29 |
36 |
|
[GOL]D:503 |
5 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
23992 |
67.7 |
-0.2 |
0.576 |
2 |
0 |
0 |
0.014 |
| 30 |
37 |
|
[CL]B:502 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
23597 |
65.4 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.287 |
38 |
|
[CL]D:504 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
23992 |
64.9 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.287 |
39 |
|
[CL]C:506 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
6 |
22734 |
64.7 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.287 |
40 |
|
[CL]A:506 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
23377 |
64.6 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.287 |
| Average: |
64.9 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.287 |
| 31 |
41 |
|
B |
6 |
4 |
23597 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
10 |
5 |
22734 |
65.2 |
0.7 |
0.749 |
0 |
0 |
0 |
0.000 |
| 32 |
42 |
|
[GOL]C:504 |
4 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
22734 |
63.6 |
0.1 |
0.643 |
2 |
0 |
0 |
0.010 |
| 33 |
43 |
|
[PEG]D:501 |
3 |
1 |
250 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
23992 |
38.5 |
0.7 |
0.248 |
0 |
0 |
0 |
0.000 |
| 34 |
44 |
|
[PEG]A:502 |
3 |
1 |
258 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
23597 |
35.3 |
-0.1 |
0.153 |
0 |
0 |
0 |
0.002 |
| 35 |
45 |
|
[PEG]C:502 |
3 |
1 |
257 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
23992 |
31.7 |
0.5 |
0.157 |
0 |
0 |
0 |
0.000 |
| 36 |
46 |
|
[CL]D:505 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
22734 |
26.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.052 |
47 |
|
[CL]C:505 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
23992 |
26.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.052 |
48 |
|
[CL]B:503 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
23377 |
25.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.052 |
49 |
|
[CL]A:505 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
23597 |
25.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
25.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.052 |
| 37 |
50 |
|
D |
1 |
1 |
23992 |
◊ |
[GOL]D:503 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
218 |
23.3 |
0.9 |
0.756 |
1 |
0 |
0 |
0.000 |
| 38 |
51 |
|
[PEG]D:501 |
2 |
1 |
250 |
f |
B |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
23597 |
18.1 |
-0.2 |
0.258 |
0 |
0 |
0 |
0.003 |
| 39 |
52 |
|
A |
1 |
1 |
23377 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
23992 |
17.3 |
0.7 |
0.899 |
0 |
0 |
0 |
0.000 |
| 40 |
53 |
|
D |
2 |
1 |
23992 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
22734 |
11.9 |
0.5 |
0.859 |
0 |
0 |
0 |
0.000 |
| 41 |
54 |
|
D |
1 |
1 |
23992 |
x |
D |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
23992 |
7.7 |
0.4 |
0.858 |
0 |
0 |
0 |
0.000 |
| 42 |
55 |
|
C |
1 |
1 |
22734 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
23992 |
4.6 |
0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
| 43 |
56 |
|
D |
1 |
1 |
23992 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
23597 |
3.1 |
0.1 |
0.749 |
0 |
0 |
0 |
0.000 |
| 44 |
57 |
|
B |
1 |
1 |
23597 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
22734 |
0.3 |
0.0 |
0.684 |
0 |
0 |
0 |
0.000 |
|