| ## |
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 |
53 |
17 |
15390 |
◊ |
B |
x,y,z |
1_555 |
53 |
15 |
14828 |
491.3 |
-7.9 |
0.176 |
2 |
0 |
0 |
0.000 |
2 |
|
A |
57 |
18 |
15122 |
◊ |
C |
x-1,y+1,z |
1_465 |
54 |
18 |
14983 |
490.5 |
-7.6 |
0.283 |
4 |
0 |
0 |
0.000 |
| Average: |
490.9 |
-7.7 |
0.230 |
3 |
0 |
0 |
0.000 |
| 2 |
3 |
|
[5U8]C:403 |
28 |
1 |
550 |
f |
C |
x,y,z |
1_555 |
60 |
23 |
14983 |
382.5 |
3.7 |
0.537 |
5 |
0 |
0 |
0.000 |
4 |
|
[5U8]A:403 |
28 |
1 |
541 |
f |
A |
x,y,z |
1_555 |
61 |
24 |
15122 |
380.1 |
3.3 |
0.532 |
5 |
0 |
0 |
0.000 |
| Average: |
381.3 |
3.5 |
0.534 |
5 |
0 |
0 |
0.000 |
| 3 |
5 |
|
[5U8]B:403 |
28 |
1 |
603 |
f |
B |
x,y,z |
1_555 |
62 |
21 |
14828 |
374.6 |
2.6 |
0.349 |
3 |
0 |
0 |
0.000 |
6 |
|
[5U8]D:403 |
27 |
1 |
604 |
f |
D |
x,y,z |
1_555 |
60 |
22 |
15390 |
373.4 |
1.0 |
0.250 |
3 |
0 |
0 |
0.000 |
| Average: |
374.0 |
1.8 |
0.299 |
3 |
0 |
0 |
0.001 |
| 4 |
7 |
|
C |
38 |
10 |
14983 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
37 |
9 |
15122 |
341.7 |
-1.5 |
0.723 |
2 |
0 |
0 |
0.000 |
| 5 |
8 |
|
B |
34 |
9 |
14828 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
40 |
11 |
15390 |
316.7 |
-2.3 |
0.536 |
1 |
0 |
0 |
0.000 |
| 6 |
9 |
|
C |
29 |
11 |
14983 |
◊ |
D |
x,y-1,z |
1_545 |
32 |
8 |
15390 |
295.7 |
-1.4 |
0.596 |
4 |
6 |
0 |
0.000 |
| 7 |
10 |
|
A |
31 |
10 |
15122 |
◊ |
D |
x-1,y,z |
1_455 |
29 |
14 |
15390 |
270.7 |
-4.3 |
0.267 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
C |
21 |
8 |
14983 |
◊ |
A |
x,y-1,z |
1_545 |
24 |
5 |
15122 |
211.5 |
1.8 |
0.930 |
3 |
4 |
0 |
0.000 |
| 9 |
12 |
|
B |
19 |
8 |
14828 |
◊ |
D |
-x+1,y-1/2,-z-1 |
2_644 |
19 |
6 |
15390 |
142.3 |
-2.1 |
0.391 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
B |
20 |
5 |
14828 |
◊ |
D |
x-1,y,z |
1_455 |
15 |
6 |
15390 |
140.1 |
1.2 |
0.829 |
1 |
2 |
0 |
0.000 |
| 11 |
14 |
|
[DMS]D:404 |
4 |
1 |
207 |
f |
D |
x,y,z |
1_555 |
24 |
9 |
15390 |
136.5 |
2.7 |
0.557 |
0 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[DMS]B:404 |
4 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
26 |
5 |
14828 |
128.0 |
2.9 |
0.517 |
0 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[DMS]A:404 |
4 |
1 |
207 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
15122 |
120.4 |
3.2 |
0.562 |
2 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[DMS]B:405 |
4 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
14828 |
115.0 |
3.5 |
0.597 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
D |
11 |
5 |
15390 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
15122 |
113.9 |
1.1 |
0.766 |
2 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[DMS]C:404 |
4 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
14983 |
113.2 |
1.2 |
0.404 |
1 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[DMS]D:405 |
4 |
1 |
206 |
f |
D |
x,y,z |
1_555 |
20 |
8 |
15390 |
111.2 |
2.6 |
0.605 |
1 |
0 |
0 |
0.000 |
| 18 |
21 |
|
C |
14 |
3 |
14983 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
12 |
2 |
15122 |
110.4 |
-2.4 |
0.276 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[DMS]B:406 |
4 |
1 |
207 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
14828 |
106.4 |
1.3 |
0.396 |
1 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[GOL]A:408 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
15122 |
105.5 |
-0.8 |
0.541 |
2 |
0 |
0 |
0.005 |
| 21 |
24 |
|
[DMS]A:407 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
15122 |
104.0 |
0.5 |
0.361 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[DMS]C:405 |
4 |
1 |
207 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
14983 |
87.3 |
0.7 |
0.403 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
B |
9 |
2 |
14828 |
◊ |
C |
x-1,y,z |
1_455 |
14 |
4 |
14983 |
86.9 |
-2.1 |
0.271 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[DMS]A:406 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
15122 |
78.8 |
2.3 |
0.543 |
1 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[DMS]A:405 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
15122 |
75.0 |
0.1 |
0.304 |
1 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[CL]D:406 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
15390 |
67.5 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.021 |
| 27 |
30 |
|
C |
3 |
2 |
14983 |
◊ |
B |
x,y,z |
1_555 |
8 |
6 |
14828 |
64.5 |
-0.4 |
0.175 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
15122 |
35.6 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.074 |
32 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
14828 |
35.4 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.074 |
33 |
|
[ZN]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
15390 |
35.3 |
-22.6 |
0.000 |
0 |
0 |
0 |
0.074 |
34 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
14983 |
35.1 |
-22.5 |
0.000 |
0 |
0 |
0 |
0.074 |
| Average: |
35.3 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.074 |
| 29 |
35 |
|
[5U8]C:403 |
4 |
1 |
550 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.1 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.045 |
36 |
|
[5U8]A:403 |
4 |
1 |
541 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.6 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.045 |
| Average: |
33.9 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.045 |
| 30 |
37 |
|
[5U8]B:403 |
5 |
1 |
603 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.8 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.051 |
38 |
|
[5U8]D:403 |
3 |
1 |
604 |
f |
[ZN]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.6 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.051 |
| Average: |
33.7 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.051 |
| 31 |
39 |
|
[DMS]B:406 |
1 |
1 |
207 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
15390 |
24.0 |
0.5 |
0.294 |
0 |
0 |
0 |
0.000 |
| 32 |
40 |
|
A |
3 |
1 |
15122 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
14983 |
11.0 |
-0.3 |
0.380 |
0 |
0 |
0 |
0.000 |
| 33 |
41 |
|
C |
2 |
1 |
14983 |
f |
[DMS]A:404 |
x,y-1,z |
1_545 |
1 |
1 |
207 |
5.4 |
-0.2 |
0.396 |
0 |
0 |
0 |
0.000 |
|