## |
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 |
183 |
53 |
17072 |
◊ |
C |
x,y,z |
1_555 |
175 |
45 |
6895 |
1654.6 |
-13.8 |
0.268 |
26 |
12 |
0 |
1.000 |
2 |
|
F |
184 |
53 |
17036 |
◊ |
E |
x,y,z |
1_555 |
166 |
41 |
6666 |
1626.4 |
-13.1 |
0.323 |
26 |
13 |
0 |
1.000 |
Average: |
1640.5 |
-13.4 |
0.296 |
26 |
13 |
0 |
1.000 |
2 |
3 |
|
D |
127 |
37 |
17072 |
◊ |
E |
x,y,z |
1_555 |
132 |
42 |
6666 |
1263.1 |
-9.9 |
0.115 |
22 |
4 |
0 |
1.000 |
4 |
|
F |
127 |
37 |
17036 |
◊ |
C |
x,y,z |
1_555 |
134 |
43 |
6895 |
1248.6 |
-9.4 |
0.109 |
21 |
3 |
0 |
1.000 |
Average: |
1255.8 |
-9.7 |
0.112 |
22 |
4 |
0 |
1.000 |
3 |
5 |
|
C |
97 |
31 |
6895 |
◊ |
A |
x,y,z |
1_555 |
79 |
26 |
16005 |
852.5 |
-9.2 |
0.225 |
11 |
4 |
0 |
0.132 |
6 |
|
E |
81 |
25 |
6666 |
◊ |
B |
x,y,z |
1_555 |
78 |
27 |
16211 |
823.3 |
-8.1 |
0.263 |
11 |
4 |
0 |
0.132 |
Average: |
837.9 |
-8.6 |
0.244 |
11 |
4 |
0 |
0.132 |
4 |
7 |
|
F |
69 |
21 |
17036 |
◊ |
D |
x,y,z |
1_555 |
69 |
20 |
17072 |
658.6 |
-2.9 |
0.489 |
6 |
14 |
0 |
0.086 |
5 |
8 |
|
[HEC]B:500 |
43 |
1 |
852 |
cf |
B |
x,y,z |
1_555 |
78 |
34 |
16211 |
626.8 |
-21.3 |
0.409 |
5 |
0 |
0 |
0.220 |
9 |
|
[HEC]A:500 |
43 |
1 |
853 |
cf |
A |
x,y,z |
1_555 |
77 |
31 |
16005 |
624.9 |
-22.3 |
0.305 |
5 |
0 |
0 |
0.220 |
Average: |
625.9 |
-21.8 |
0.357 |
5 |
0 |
0 |
0.220 |
6 |
10 |
|
[HEC]B:600 |
43 |
1 |
845 |
cf |
B |
x,y,z |
1_555 |
81 |
33 |
16211 |
610.6 |
-24.1 |
0.190 |
3 |
0 |
0 |
0.231 |
11 |
|
[HEC]A:600 |
43 |
1 |
845 |
cf |
A |
x,y,z |
1_555 |
79 |
33 |
16005 |
608.1 |
-24.1 |
0.191 |
3 |
0 |
0 |
0.231 |
Average: |
609.4 |
-24.1 |
0.190 |
3 |
0 |
0 |
0.231 |
7 |
12 |
|
F |
54 |
17 |
17036 |
◊ |
A |
x,y,z-1 |
1_554 |
45 |
16 |
16005 |
402.1 |
-3.9 |
0.336 |
3 |
1 |
0 |
0.005 |
8 |
13 |
|
F |
42 |
14 |
17036 |
◊ |
B |
x,y,z |
1_555 |
41 |
12 |
16211 |
398.8 |
0.6 |
0.693 |
4 |
3 |
0 |
0.015 |
14 |
|
D |
42 |
15 |
17072 |
◊ |
A |
x,y,z |
1_555 |
41 |
12 |
16005 |
395.5 |
0.6 |
0.693 |
6 |
4 |
0 |
0.015 |
Average: |
397.2 |
0.6 |
0.693 |
5 |
4 |
0 |
0.015 |
9 |
15 |
|
A |
44 |
14 |
16005 |
◊ |
B |
x,y-1,z+1 |
1_546 |
39 |
11 |
16211 |
323.8 |
0.2 |
0.668 |
2 |
6 |
0 |
0.000 |
10 |
16 |
|
E |
40 |
13 |
6666 |
◊ |
B |
x-1,y,z |
1_455 |
28 |
10 |
16211 |
280.9 |
-3.5 |
0.296 |
4 |
0 |
0 |
0.000 |
11 |
17 |
|
D |
27 |
7 |
17072 |
◊ |
B |
x,y,z |
1_555 |
31 |
8 |
16211 |
267.5 |
0.1 |
0.634 |
6 |
3 |
0 |
0.028 |
18 |
|
F |
28 |
7 |
17036 |
◊ |
A |
x,y,z |
1_555 |
29 |
7 |
16005 |
256.9 |
-0.3 |
0.608 |
6 |
1 |
0 |
0.028 |
Average: |
262.2 |
-0.1 |
0.621 |
6 |
2 |
0 |
0.028 |
12 |
19 |
|
C |
26 |
9 |
6895 |
◊ |
A |
x-1,y,z |
1_455 |
27 |
11 |
16005 |
255.6 |
-0.1 |
0.669 |
4 |
0 |
0 |
0.000 |
13 |
20 |
|
F |
21 |
7 |
17036 |
x |
F |
x-1,y,z |
1_455 |
22 |
6 |
17036 |
220.6 |
-0.2 |
0.511 |
4 |
1 |
0 |
0.000 |
14 |
21 |
|
[PGE]A:374 |
10 |
1 |
330 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
16005 |
191.4 |
6.0 |
0.431 |
2 |
0 |
0 |
0.000 |
15 |
22 |
|
[PEG]F:388 |
7 |
1 |
254 |
f |
F |
x,y,z |
1_555 |
32 |
16 |
17036 |
183.4 |
3.6 |
0.413 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
[EDO]B:375 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
16211 |
115.4 |
3.9 |
0.543 |
3 |
0 |
0 |
0.000 |
17 |
24 |
|
F |
12 |
5 |
17036 |
◊ |
B |
x,y-1,z+1 |
1_546 |
8 |
3 |
16211 |
112.2 |
-0.4 |
0.463 |
2 |
2 |
0 |
0.000 |
25 |
|
A |
8 |
3 |
16005 |
◊ |
D |
x,y-1,z+1 |
1_546 |
8 |
5 |
17072 |
111.7 |
-0.5 |
0.435 |
1 |
2 |
0 |
0.000 |
Average: |
112.0 |
-0.5 |
0.449 |
2 |
2 |
0 |
0.000 |
18 |
26 |
|
[EDO]D:387 |
4 |
1 |
189 |
◊ |
D |
x,y,z |
1_555 |
17 |
8 |
17072 |
107.0 |
3.8 |
0.525 |
1 |
0 |
0 |
0.000 |
19 |
27 |
|
[MES]F:387 |
10 |
1 |
339 |
f |
F |
x,y,z |
1_555 |
14 |
4 |
17036 |
105.9 |
2.2 |
0.046 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
D |
10 |
6 |
17072 |
x |
D |
x-1,y,z |
1_455 |
15 |
6 |
17072 |
105.5 |
-0.3 |
0.544 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
[PEG]B:374 |
6 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
16211 |
105.0 |
2.3 |
0.296 |
4 |
0 |
0 |
0.000 |
22 |
30 |
|
[PEG]B:376 |
7 |
1 |
261 |
◊ |
E |
x,y,z |
1_555 |
12 |
5 |
6666 |
92.2 |
2.4 |
0.302 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[PEG]B:376 |
7 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
16211 |
92.0 |
2.2 |
0.262 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
[EDO]F:389 |
4 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
12 |
4 |
17036 |
87.6 |
2.1 |
0.239 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
[ACT]D:388 |
4 |
1 |
181 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
17072 |
79.9 |
0.5 |
0.762 |
3 |
0 |
0 |
0.110 |
26 |
34 |
|
[MES]F:387 |
6 |
1 |
339 |
◊ |
B |
x,y-1,z+1 |
1_546 |
10 |
5 |
16211 |
74.0 |
2.5 |
0.325 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
D |
12 |
4 |
17072 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
3 |
16005 |
73.4 |
-0.3 |
0.566 |
1 |
0 |
0 |
0.000 |
28 |
36 |
|
D |
8 |
4 |
17072 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
3 |
16211 |
68.5 |
-1.4 |
0.275 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
B |
7 |
2 |
16211 |
◊ |
A |
x,y,z-1 |
1_554 |
8 |
4 |
16005 |
67.6 |
-0.4 |
0.513 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
[NA]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
16005 |
65.8 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.094 |
39 |
|
[NA]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
16211 |
65.5 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.094 |
Average: |
65.7 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.094 |
31 |
40 |
|
[NA]B:401 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
16211 |
62.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.076 |
41 |
|
[NA]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
16005 |
60.1 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.076 |
Average: |
61.2 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.076 |
32 |
42 |
|
[CA]A:400 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
16005 |
46.3 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.100 |
43 |
|
[CA]B:400 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
16211 |
45.9 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
46.1 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.100 |
33 |
44 |
|
[EDO]D:387 |
3 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
6895 |
44.0 |
0.9 |
0.780 |
0 |
0 |
0 |
0.000 |
34 |
45 |
|
[EDO]F:389 |
3 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
17072 |
35.8 |
0.1 |
0.190 |
0 |
0 |
0 |
0.000 |
35 |
46 |
|
A |
5 |
2 |
16005 |
x |
A |
x-1,y,z |
1_455 |
3 |
2 |
16005 |
32.6 |
-0.4 |
0.367 |
0 |
0 |
0 |
0.000 |
36 |
47 |
|
[EDO]F:389 |
3 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
4 |
3 |
6666 |
25.8 |
0.4 |
0.571 |
0 |
0 |
0 |
0.000 |
37 |
48 |
|
[HEC]A:600 |
3 |
1 |
845 |
f |
[CA]A:400 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.019 |
49 |
|
[HEC]B:600 |
3 |
1 |
845 |
f |
[CA]B:400 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
10.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.019 |
38 |
50 |
|
E |
1 |
1 |
6666 |
◊ |
F |
x-1,y,z |
1_455 |
1 |
1 |
17036 |
6.2 |
0.2 |
0.800 |
0 |
0 |
0 |
0.000 |
39 |
51 |
|
F |
3 |
1 |
17036 |
◊ |
[HEC]A:500 |
x,y,z-1 |
1_554 |
1 |
1 |
853 |
6.2 |
-0.0 |
0.721 |
0 |
0 |
0 |
0.000 |
40 |
52 |
|
[PGE]A:374 |
2 |
1 |
330 |
f |
B |
x,y-1,z+1 |
1_546 |
2 |
2 |
16211 |
1.9 |
0.0 |
0.234 |
0 |
0 |
0 |
0.000 |
|