| ## |
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 |
|
A |
118 |
24 |
14922 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
118 |
24 |
14922 |
1059.4 |
-16.1 |
0.028 |
7 |
0 |
0 |
0.107 |
2 |
|
B |
117 |
24 |
14647 |
◊ |
B |
-x+1,y,-z |
2_655 |
116 |
24 |
14647 |
1048.3 |
-15.6 |
0.051 |
7 |
0 |
0 |
0.107 |
| Average: |
1053.8 |
-15.9 |
0.039 |
7 |
0 |
0 |
0.107 |
| 2 |
3 |
|
B |
72 |
19 |
14647 |
◊ |
A |
x,y,z |
1_555 |
72 |
22 |
14922 |
634.9 |
-0.2 |
0.730 |
11 |
7 |
0 |
0.000 |
| 3 |
4 |
|
B |
41 |
14 |
14647 |
◊ |
B |
-x,y,-z |
2_555 |
41 |
14 |
14647 |
360.3 |
-6.9 |
0.083 |
2 |
2 |
0 |
0.000 |
| 4 |
5 |
|
[5AD]B:504 |
18 |
1 |
414 |
f |
B |
x,y,z |
1_555 |
42 |
19 |
14647 |
248.4 |
3.5 |
0.497 |
5 |
0 |
0 |
0.000 |
6 |
|
[5AD]A:2504 |
18 |
1 |
412 |
f |
A |
x,y,z |
1_555 |
41 |
19 |
14922 |
244.2 |
5.1 |
0.629 |
4 |
0 |
0 |
0.000 |
| Average: |
246.3 |
4.3 |
0.563 |
5 |
0 |
0 |
0.000 |
| 5 |
7 |
|
A |
25 |
10 |
14922 |
x |
A |
x,y-1,z |
1_545 |
34 |
11 |
14922 |
235.1 |
0.2 |
0.678 |
3 |
1 |
0 |
0.000 |
8 |
|
B |
19 |
6 |
14647 |
x |
B |
x,y-1,z |
1_545 |
18 |
8 |
14647 |
123.6 |
1.0 |
0.753 |
0 |
0 |
0 |
0.000 |
| Average: |
179.4 |
0.6 |
0.715 |
2 |
1 |
0 |
0.000 |
| 6 |
9 |
|
[TSS]B:502 |
12 |
1 |
325 |
f |
B |
x,y,z |
1_555 |
35 |
19 |
14647 |
191.1 |
-3.8 |
0.554 |
2 |
0 |
0 |
0.053 |
10 |
|
[TSS]A:2501 |
12 |
1 |
323 |
f |
A |
x,y,z |
1_555 |
34 |
19 |
14922 |
187.9 |
-3.9 |
0.493 |
2 |
0 |
0 |
0.053 |
| Average: |
189.5 |
-3.9 |
0.523 |
2 |
0 |
0 |
0.053 |
| 7 |
11 |
|
[SF4]B:501 |
8 |
1 |
310 |
f |
B |
x,y,z |
1_555 |
23 |
12 |
14647 |
164.6 |
-18.8 |
0.475 |
0 |
0 |
0 |
0.209 |
12 |
|
[SF4]A:2502 |
8 |
1 |
307 |
f |
A |
x,y,z |
1_555 |
23 |
12 |
14922 |
164.5 |
-18.9 |
0.417 |
0 |
0 |
0 |
0.209 |
| Average: |
164.6 |
-18.8 |
0.446 |
0 |
0 |
0 |
0.209 |
| 8 |
13 |
|
B |
17 |
7 |
14647 |
◊ |
A |
-x+1,y,-z |
2_655 |
14 |
6 |
14922 |
160.1 |
-1.8 |
0.312 |
1 |
1 |
0 |
0.000 |
| 9 |
14 |
|
[GOL]B:505 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
14647 |
137.4 |
0.2 |
0.681 |
6 |
0 |
0 |
0.021 |
15 |
|
[GOL]A:2505 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
24 |
9 |
14922 |
136.1 |
0.3 |
0.580 |
5 |
0 |
0 |
0.021 |
| Average: |
136.8 |
0.3 |
0.631 |
6 |
0 |
0 |
0.021 |
| 10 |
16 |
|
[GOL]B:507 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
14647 |
135.8 |
0.3 |
0.674 |
6 |
0 |
0 |
0.016 |
| 11 |
17 |
|
[GOL]A:2506 |
6 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
14922 |
130.8 |
0.3 |
0.666 |
7 |
0 |
0 |
0.031 |
| 12 |
18 |
|
[GOL]B:508 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
14647 |
123.5 |
-0.8 |
0.528 |
4 |
0 |
0 |
0.017 |
| 13 |
19 |
|
[GOL]B:506 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
14647 |
95.3 |
-0.8 |
0.471 |
1 |
0 |
0 |
0.008 |
| 14 |
20 |
|
[BR]B:509 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
14647 |
77.8 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.123 |
21 |
|
[BR]A:2509 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
14922 |
75.3 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.123 |
| Average: |
76.5 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.123 |
| 15 |
22 |
|
[BR]B:510 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
14647 |
69.5 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.108 |
23 |
|
[BR]A:2508 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
14922 |
68.9 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.108 |
| Average: |
69.2 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.108 |
| 16 |
24 |
|
[CL]B:514 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
14647 |
67.6 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.063 |
| 17 |
25 |
|
[BR]B:511 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
14647 |
66.5 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.095 |
26 |
|
[BR]A:2507 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
14922 |
62.2 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.095 |
| Average: |
64.3 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.095 |
| 18 |
27 |
|
[CL]B:512 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
14647 |
61.8 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.107 |
28 |
|
[CL]A:2510 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
14922 |
61.2 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.107 |
| Average: |
61.5 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.107 |
| 19 |
29 |
|
[CL]A:2511 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
23 |
12 |
14922 |
52.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.069 |
30 |
|
[CL]B:513 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
14647 |
51.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.069 |
| Average: |
51.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.069 |
| 20 |
31 |
|
[ZN]B:515 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
14647 |
43.9 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.171 |
| 21 |
32 |
|
[BR]A:2508 |
1 |
1 |
133 |
◊ |
A |
x,y-1,z |
1_545 |
5 |
2 |
14922 |
35.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
|
B |
4 |
2 |
14647 |
◊ |
[BR]B:510 |
x,y-1,z |
1_545 |
1 |
1 |
133 |
34.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
34.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 22 |
34 |
|
[CL]A:2511 |
1 |
1 |
125 |
f |
[TSS]A:2501 |
x,y,z |
1_555 |
9 |
1 |
323 |
34.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.070 |
35 |
|
[CL]B:513 |
1 |
1 |
125 |
f |
[TSS]B:502 |
x,y,z |
1_555 |
7 |
1 |
325 |
34.0 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.070 |
| Average: |
34.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.070 |
| 23 |
36 |
|
[ZN]B:515 |
1 |
1 |
98 |
f |
[CL]B:514 |
x,y,z |
1_555 |
1 |
1 |
125 |
32.7 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.114 |
| 24 |
37 |
|
[5AD]B:504 |
6 |
1 |
414 |
f |
[SF4]B:501 |
x,y,z |
1_555 |
3 |
1 |
310 |
30.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.009 |
38 |
|
[5AD]A:2504 |
6 |
1 |
412 |
f |
[SF4]A:2502 |
x,y,z |
1_555 |
3 |
1 |
307 |
29.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
29.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.009 |
| 25 |
39 |
|
A |
3 |
1 |
14922 |
◊ |
[BR]A:2507 |
x,y-1,z |
1_545 |
1 |
1 |
133 |
27.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 26 |
40 |
|
[CL]B:512 |
1 |
1 |
125 |
f |
[TSS]B:502 |
x,y,z |
1_555 |
5 |
1 |
325 |
27.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.032 |
41 |
|
[CL]A:2510 |
1 |
1 |
125 |
f |
[TSS]A:2501 |
x,y,z |
1_555 |
4 |
1 |
323 |
25.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
26.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.032 |
| 27 |
42 |
|
[5AD]B:504 |
3 |
1 |
414 |
f |
[TSS]B:502 |
x,y,z |
1_555 |
3 |
1 |
325 |
25.2 |
0.5 |
0.686 |
0 |
0 |
0 |
0.000 |
43 |
|
[5AD]A:2504 |
3 |
1 |
412 |
f |
[TSS]A:2501 |
x,y,z |
1_555 |
3 |
1 |
323 |
24.7 |
0.5 |
0.689 |
0 |
0 |
0 |
0.000 |
| Average: |
24.9 |
0.5 |
0.687 |
0 |
0 |
0 |
0.000 |
| 28 |
44 |
|
[GOL]B:506 |
1 |
1 |
221 |
◊ |
A |
-x+1,y,-z |
2_655 |
3 |
1 |
14922 |
13.5 |
0.3 |
0.628 |
0 |
0 |
0 |
0.000 |
| 29 |
45 |
|
[CL]A:2511 |
1 |
1 |
125 |
f |
[CL]A:2510 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.009 |
| 30 |
46 |
|
[CL]B:513 |
1 |
1 |
125 |
f |
[CL]B:512 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.005 |
|