## |
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 |
|
C |
125 |
31 |
14170 |
◊ |
A |
x,y,z |
1_555 |
124 |
36 |
13612 |
1124.8 |
-11.3 |
0.213 |
6 |
3 |
0 |
0.716 |
2 |
|
D |
126 |
36 |
13619 |
◊ |
B |
x,y,z |
1_555 |
129 |
31 |
14162 |
1123.2 |
-10.5 |
0.348 |
7 |
7 |
0 |
0.716 |
Average: |
1124.0 |
-10.9 |
0.280 |
7 |
5 |
0 |
0.716 |
2 |
3 |
|
C |
64 |
18 |
14170 |
◊ |
A |
x-y,x,z-1/6 |
2_554 |
61 |
19 |
13612 |
582.0 |
-2.4 |
0.573 |
4 |
0 |
0 |
0.111 |
4 |
|
D |
63 |
16 |
13619 |
◊ |
B |
x-y,x+1,z-1/6 |
2_564 |
64 |
18 |
14162 |
570.1 |
-2.7 |
0.608 |
5 |
0 |
0 |
0.111 |
Average: |
576.1 |
-2.5 |
0.591 |
5 |
0 |
0 |
0.111 |
3 |
5 |
|
B |
31 |
10 |
14162 |
◊ |
A |
x,y,z |
1_555 |
50 |
19 |
13612 |
391.2 |
-7.4 |
0.033 |
1 |
0 |
0 |
0.148 |
6 |
|
C |
32 |
11 |
14170 |
◊ |
D |
x,y-1,z |
1_545 |
47 |
18 |
13619 |
386.0 |
-7.9 |
0.026 |
0 |
0 |
0 |
0.148 |
Average: |
388.6 |
-7.6 |
0.029 |
1 |
0 |
0 |
0.148 |
4 |
7 |
|
A |
32 |
9 |
13612 |
◊ |
D |
x,y-1,z |
1_545 |
29 |
9 |
13619 |
276.3 |
-2.9 |
0.385 |
1 |
0 |
0 |
0.000 |
8 |
|
D |
35 |
11 |
13619 |
◊ |
A |
x,y,z |
1_555 |
29 |
8 |
13612 |
274.0 |
-2.7 |
0.425 |
1 |
0 |
0 |
0.000 |
Average: |
275.1 |
-2.8 |
0.405 |
1 |
0 |
0 |
0.000 |
5 |
9 |
|
B |
25 |
8 |
14162 |
◊ |
A |
x-1,y,z |
1_455 |
20 |
6 |
13612 |
215.2 |
-1.0 |
0.530 |
1 |
1 |
0 |
0.000 |
10 |
|
D |
21 |
7 |
13619 |
◊ |
C |
x-1,y,z |
1_455 |
22 |
7 |
14170 |
213.0 |
-1.0 |
0.463 |
1 |
1 |
0 |
0.000 |
Average: |
214.1 |
-1.0 |
0.496 |
1 |
1 |
0 |
0.000 |
6 |
11 |
|
H |
21 |
4 |
597 |
◊ |
D |
x,y,z |
1_555 |
24 |
7 |
13619 |
190.1 |
-3.7 |
0.356 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
G |
22 |
4 |
596 |
◊ |
A |
x,y,z |
1_555 |
21 |
5 |
13612 |
186.7 |
-3.3 |
0.408 |
0 |
0 |
0 |
0.134 |
13 |
|
I |
20 |
4 |
609 |
◊ |
B |
x,y,z |
1_555 |
20 |
5 |
14162 |
185.5 |
-3.9 |
0.356 |
0 |
0 |
0 |
0.134 |
14 |
|
F |
23 |
4 |
611 |
◊ |
C |
x,y,z |
1_555 |
21 |
5 |
14170 |
184.7 |
-2.7 |
0.372 |
1 |
1 |
0 |
0.134 |
Average: |
185.6 |
-3.3 |
0.379 |
0 |
0 |
0 |
0.134 |
8 |
15 |
|
I |
12 |
4 |
609 |
◊ |
D |
x,y,z |
1_555 |
21 |
8 |
13619 |
176.1 |
-2.8 |
0.429 |
1 |
0 |
0 |
0.128 |
16 |
|
G |
12 |
4 |
596 |
◊ |
C |
x,y,z |
1_555 |
24 |
8 |
14170 |
163.6 |
-2.9 |
0.418 |
1 |
0 |
0 |
0.128 |
17 |
|
F |
11 |
4 |
611 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
13612 |
163.4 |
-2.5 |
0.431 |
1 |
0 |
0 |
0.128 |
18 |
|
H |
12 |
4 |
597 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
14162 |
157.4 |
-2.9 |
0.398 |
1 |
0 |
0 |
0.128 |
Average: |
165.1 |
-2.8 |
0.419 |
1 |
0 |
0 |
0.128 |
9 |
19 |
|
[NIT]G:6 |
10 |
1 |
281 |
◊ |
A |
x,y,z |
1_555 |
22 |
10 |
13612 |
165.2 |
2.5 |
0.187 |
2 |
0 |
0 |
0.000 |
10 |
20 |
|
[NIT]H:6 |
10 |
1 |
279 |
◊ |
D |
x,y,z |
1_555 |
22 |
10 |
13619 |
161.3 |
2.3 |
0.179 |
2 |
0 |
0 |
0.000 |
11 |
21 |
|
[NIT]I:6 |
10 |
1 |
279 |
◊ |
B |
x,y,z |
1_555 |
24 |
10 |
14162 |
157.9 |
2.0 |
0.156 |
1 |
0 |
0 |
0.000 |
12 |
22 |
|
[NIT]F:6 |
10 |
1 |
281 |
◊ |
C |
x,y,z |
1_555 |
21 |
10 |
14170 |
157.0 |
1.9 |
0.130 |
1 |
0 |
0 |
0.000 |
13 |
23 |
|
C |
10 |
7 |
14170 |
◊ |
[SO4]A:1318 |
x-y,x,z-1/6 |
2_554 |
5 |
1 |
184 |
81.1 |
-9.5 |
0.873 |
2 |
0 |
0 |
0.279 |
14 |
24 |
|
[SO4]A:1318 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
13612 |
80.2 |
-10.1 |
0.881 |
2 |
0 |
0 |
0.394 |
15 |
25 |
|
C |
15 |
5 |
14170 |
◊ |
B |
x-y,x,z-1/6 |
2_554 |
11 |
5 |
14162 |
76.3 |
-0.2 |
0.535 |
0 |
0 |
0 |
0.002 |
16 |
26 |
|
[SO4]B:1319 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
7 |
14162 |
70.7 |
-8.2 |
0.820 |
1 |
0 |
0 |
0.315 |
17 |
27 |
|
[SO4]D:1319 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
11 |
6 |
13619 |
69.7 |
-7.6 |
0.869 |
2 |
0 |
0 |
0.267 |
18 |
28 |
|
[SIN]F:1 |
5 |
1 |
234 |
cf |
F |
x,y,z |
1_555 |
8 |
3 |
611 |
68.0 |
2.0 |
0.891 |
1 |
0 |
0 |
0.000 |
19 |
29 |
|
D |
8 |
5 |
13619 |
◊ |
[SO4]B:1319 |
x-y,x+1,z-1/6 |
2_564 |
5 |
1 |
185 |
67.2 |
-6.9 |
0.874 |
1 |
0 |
0 |
0.232 |
20 |
30 |
|
[SO4]D:1319 |
5 |
1 |
186 |
◊ |
B |
x-y,x+1,z-1/6 |
2_564 |
10 |
6 |
14162 |
64.7 |
-6.6 |
0.871 |
2 |
0 |
0 |
0.272 |
21 |
31 |
|
[SIN]I:1 |
4 |
1 |
244 |
cf |
I |
x,y,z |
1_555 |
7 |
2 |
609 |
58.8 |
2.0 |
0.168 |
0 |
0 |
0 |
0.000 |
22 |
32 |
|
[NIT]H:6 |
4 |
1 |
279 |
cf |
H |
x,y,z |
1_555 |
5 |
1 |
597 |
56.2 |
0.1 |
0.121 |
0 |
0 |
0 |
0.000 |
23 |
33 |
|
[NIT]I:6 |
3 |
1 |
279 |
cf |
I |
x,y,z |
1_555 |
4 |
1 |
609 |
55.7 |
0.1 |
0.220 |
0 |
0 |
0 |
0.000 |
24 |
34 |
|
[SIN]G:1 |
4 |
1 |
239 |
cf |
G |
x,y,z |
1_555 |
7 |
2 |
596 |
54.9 |
1.9 |
0.168 |
0 |
0 |
0 |
0.000 |
25 |
35 |
|
[SIN]H:1 |
5 |
1 |
239 |
cf |
H |
x,y,z |
1_555 |
7 |
2 |
597 |
54.4 |
1.6 |
0.896 |
1 |
0 |
0 |
0.000 |
26 |
36 |
|
[NIT]F:6 |
4 |
1 |
281 |
cf |
F |
x,y,z |
1_555 |
4 |
1 |
611 |
54.4 |
0.3 |
0.125 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
[SO4]A:1320 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
13612 |
53.2 |
-7.7 |
0.680 |
1 |
0 |
0 |
0.291 |
28 |
38 |
|
[NIT]G:6 |
4 |
1 |
281 |
cf |
G |
x,y,z |
1_555 |
4 |
1 |
596 |
52.6 |
-0.1 |
0.116 |
0 |
0 |
0 |
0.002 |
29 |
39 |
|
[SIN]H:1 |
4 |
1 |
239 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
3 |
13612 |
51.5 |
0.9 |
0.770 |
1 |
0 |
0 |
0.000 |
30 |
40 |
|
[SO4]D:1319 |
5 |
1 |
186 |
f |
[SO4]B:1319 |
x-y,x+1,z-1/6 |
2_564 |
4 |
1 |
185 |
50.5 |
-11.3 |
0.983 |
0 |
0 |
0 |
0.413 |
31 |
41 |
|
[SIN]H:1 |
5 |
1 |
239 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
14162 |
49.5 |
0.2 |
0.513 |
0 |
0 |
0 |
0.000 |
32 |
42 |
|
[SIN]F:1 |
5 |
1 |
234 |
◊ |
C |
x,y,z |
1_555 |
6 |
1 |
14170 |
45.6 |
-0.0 |
0.444 |
0 |
0 |
0 |
0.000 |
33 |
43 |
|
[SIN]F:1 |
6 |
1 |
234 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
13612 |
45.3 |
1.5 |
0.923 |
1 |
0 |
0 |
0.000 |
34 |
44 |
|
[SO4]A:1320 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
611 |
45.0 |
-5.3 |
0.809 |
0 |
0 |
0 |
0.190 |
35 |
45 |
|
[SIN]G:1 |
4 |
1 |
239 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
14170 |
44.5 |
0.4 |
0.586 |
0 |
0 |
0 |
0.000 |
36 |
46 |
|
[SIN]I:1 |
5 |
1 |
244 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
13619 |
43.0 |
1.1 |
0.895 |
0 |
0 |
0 |
0.000 |
37 |
47 |
|
[CL]D:1320 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
13619 |
39.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.223 |
48 |
|
[CL]A:1321 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
13612 |
36.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.223 |
Average: |
38.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.223 |
38 |
49 |
|
D |
4 |
2 |
13619 |
◊ |
[SIN]G:1 |
x-1,y,z |
1_455 |
3 |
1 |
239 |
35.6 |
1.3 |
0.952 |
1 |
0 |
0 |
0.000 |
39 |
50 |
|
[SIN]G:1 |
3 |
1 |
239 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13612 |
30.4 |
0.3 |
0.421 |
0 |
0 |
0 |
0.000 |
40 |
51 |
|
[SIN]I:1 |
4 |
1 |
244 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14162 |
30.4 |
0.4 |
0.430 |
0 |
0 |
0 |
0.000 |
41 |
52 |
|
[CL]A:1321 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
14170 |
24.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.061 |
53 |
|
[CL]D:1320 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
14162 |
14.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.061 |
Average: |
19.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.061 |
42 |
54 |
|
[SIN]H:1 |
3 |
1 |
239 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
13619 |
23.4 |
0.3 |
0.414 |
0 |
0 |
0 |
0.000 |
43 |
55 |
|
C |
1 |
1 |
14170 |
◊ |
B |
x-y+1,x+1,z-1/6 |
2_664 |
2 |
1 |
14162 |
7.9 |
0.3 |
0.807 |
0 |
0 |
0 |
0.000 |
44 |
56 |
|
H |
1 |
1 |
597 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
13612 |
1.2 |
-0.0 |
0.584 |
0 |
0 |
0 |
0.000 |
45 |
57 |
|
[SO4]A:1320 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14170 |
0.7 |
-0.1 |
0.840 |
0 |
0 |
0 |
0.002 |
|