## |
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 |
62 |
23 |
15180 |
◊ |
B |
x,y,z |
1_555 |
66 |
23 |
15133 |
640.7 |
1.4 |
0.751 |
11 |
3 |
0 |
0.000 |
2 |
2 |
|
E |
71 |
23 |
15005 |
◊ |
C |
x-1/2,-y-3/2,-z |
3_435 |
67 |
16 |
15180 |
630.0 |
-4.7 |
0.268 |
15 |
3 |
0 |
0.000 |
3 |
|
D |
60 |
17 |
14980 |
◊ |
C |
-x+3/2,-y-1,z-1/2 |
2_644 |
67 |
20 |
15180 |
610.1 |
-5.0 |
0.225 |
14 |
4 |
0 |
0.000 |
4 |
|
D |
68 |
21 |
14980 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
4_644 |
62 |
16 |
15074 |
608.7 |
-4.9 |
0.236 |
14 |
4 |
0 |
0.000 |
5 |
|
E |
64 |
17 |
15005 |
◊ |
B |
x,y,z |
1_555 |
67 |
19 |
15133 |
606.9 |
-5.1 |
0.223 |
14 |
4 |
0 |
0.000 |
6 |
|
B |
60 |
16 |
15133 |
◊ |
A |
x,y,z |
1_555 |
66 |
18 |
15074 |
594.2 |
-5.0 |
0.233 |
13 |
4 |
0 |
0.000 |
Average: |
610.0 |
-4.9 |
0.237 |
14 |
4 |
0 |
0.000 |
3 |
7 |
|
X |
42 |
3 |
956 |
◊ |
C |
x,y,z |
1_555 |
56 |
19 |
15180 |
454.5 |
-1.6 |
0.612 |
8 |
0 |
0 |
0.130 |
4 |
8 |
|
Z |
42 |
3 |
853 |
◊ |
E |
x,y,z |
1_555 |
55 |
19 |
15005 |
429.4 |
-2.4 |
0.397 |
6 |
0 |
0 |
0.162 |
5 |
9 |
|
A |
42 |
14 |
15074 |
◊ |
B |
x-1,y,z |
1_455 |
34 |
7 |
15133 |
342.4 |
0.6 |
0.608 |
7 |
0 |
0 |
0.000 |
6 |
10 |
|
E |
36 |
12 |
15005 |
◊ |
D |
x,y,z |
1_555 |
36 |
10 |
14980 |
334.8 |
-3.2 |
0.294 |
4 |
2 |
0 |
0.000 |
11 |
|
E |
35 |
12 |
15005 |
◊ |
A |
-x,y-1/2,-z-1/2 |
4_544 |
39 |
12 |
15074 |
308.2 |
-3.4 |
0.273 |
1 |
1 |
0 |
0.000 |
Average: |
321.5 |
-3.3 |
0.284 |
3 |
2 |
0 |
0.000 |
7 |
12 |
|
[G46]Q:510 |
21 |
1 |
538 |
f |
A |
x,y,z |
1_555 |
38 |
15 |
15074 |
284.9 |
-4.8 |
0.500 |
6 |
0 |
0 |
0.019 |
8 |
13 |
|
E |
34 |
10 |
15005 |
◊ |
D |
x-1,y,z |
1_455 |
38 |
12 |
14980 |
281.0 |
0.7 |
0.676 |
5 |
2 |
0 |
0.000 |
14 |
|
D |
13 |
6 |
14980 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
15133 |
88.0 |
-0.2 |
0.558 |
2 |
0 |
0 |
0.000 |
Average: |
184.5 |
0.3 |
0.617 |
4 |
1 |
0 |
0.000 |
9 |
15 |
|
[PG4]B:403 |
13 |
1 |
417 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
15133 |
209.3 |
7.7 |
0.514 |
4 |
0 |
0 |
0.000 |
10 |
16 |
|
[G46]R:510 |
12 |
1 |
367 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
15133 |
199.6 |
-6.2 |
0.592 |
5 |
0 |
0 |
0.028 |
11 |
17 |
|
[GOL]C:403 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
21 |
9 |
15180 |
135.8 |
-0.1 |
0.593 |
3 |
0 |
0 |
0.036 |
12 |
18 |
|
[GOL]A:404 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
15074 |
126.2 |
-0.5 |
0.518 |
1 |
0 |
0 |
0.002 |
13 |
19 |
|
C |
16 |
4 |
15180 |
x |
C |
x-1/2,-y-3/2,-z |
3_435 |
13 |
3 |
15180 |
116.7 |
-0.8 |
0.467 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
[G46]T:510 |
5 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
14980 |
114.3 |
-7.1 |
0.603 |
1 |
0 |
0 |
0.020 |
15 |
21 |
|
[GOL]A:403 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
15074 |
101.7 |
-0.1 |
0.544 |
6 |
0 |
0 |
0.007 |
22 |
|
[GOL]D:403 |
5 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
14980 |
100.3 |
-0.7 |
0.470 |
2 |
0 |
0 |
0.007 |
Average: |
101.0 |
-0.4 |
0.507 |
4 |
0 |
0 |
0.007 |
16 |
23 |
|
[GOL]D:404 |
6 |
1 |
220 |
f |
C |
-x+3/2,-y-1,z-1/2 |
2_644 |
16 |
5 |
15180 |
96.9 |
-1.5 |
0.370 |
1 |
0 |
0 |
0.048 |
17 |
24 |
|
[GOL]C:404 |
6 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
15180 |
96.3 |
-0.5 |
0.524 |
2 |
0 |
0 |
0.035 |
18 |
25 |
|
D |
13 |
6 |
14980 |
◊ |
A |
-x,y-1/2,-z-1/2 |
4_544 |
13 |
8 |
15074 |
89.8 |
-1.4 |
0.328 |
1 |
0 |
0 |
0.000 |
19 |
26 |
|
[SO4]C:402 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
15180 |
89.4 |
-12.9 |
0.813 |
4 |
0 |
0 |
0.367 |
20 |
27 |
|
[SO4]B:402 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
15133 |
88.8 |
-12.5 |
0.819 |
5 |
0 |
0 |
0.049 |
21 |
28 |
|
[SO4]E:402 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
17 |
9 |
15005 |
88.5 |
-12.2 |
0.830 |
4 |
0 |
0 |
0.449 |
22 |
29 |
|
[SO4]A:402 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
15074 |
86.2 |
-12.5 |
0.824 |
5 |
0 |
0 |
0.038 |
23 |
30 |
|
A |
14 |
5 |
15074 |
◊ |
B |
x-1/2,-y-1/2,-z |
3_445 |
8 |
1 |
15133 |
85.7 |
0.1 |
0.636 |
1 |
0 |
0 |
0.000 |
24 |
31 |
|
[SO4]D:402 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
14980 |
84.4 |
-13.0 |
0.806 |
4 |
0 |
0 |
0.040 |
25 |
32 |
|
[G46]S:510 |
5 |
1 |
216 |
cf |
X |
x,y,z |
1_555 |
13 |
2 |
956 |
76.5 |
-2.3 |
0.873 |
0 |
0 |
0 |
0.100 |
26 |
33 |
|
[GOL]D:404 |
5 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
14980 |
75.1 |
-0.0 |
0.523 |
2 |
0 |
0 |
0.000 |
27 |
34 |
|
[G46]U:501 |
1 |
1 |
107 |
cf |
Z |
x,y,z |
1_555 |
8 |
2 |
853 |
51.1 |
0.8 |
-1.000 |
0 |
0 |
0 |
0.000 |
28 |
35 |
|
[GOL]D:403 |
6 |
1 |
219 |
◊ |
C |
-x+3/2,-y-1,z-1/2 |
2_644 |
5 |
2 |
15180 |
49.8 |
-0.4 |
0.471 |
0 |
0 |
0 |
0.000 |
36 |
|
D |
6 |
2 |
14980 |
◊ |
[GOL]A:403 |
-x+1,y-1/2,-z-1/2 |
4_644 |
6 |
1 |
220 |
49.8 |
-0.8 |
0.372 |
0 |
0 |
0 |
0.000 |
Average: |
49.8 |
-0.6 |
0.421 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
[NI]A:401 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
15074 |
47.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.282 |
38 |
|
[NI]D:401 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
14980 |
47.4 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.282 |
39 |
|
[NI]C:401 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
15180 |
47.1 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.282 |
40 |
|
[NI]E:401 |
1 |
1 |
115 |
f |
E |
x,y,z |
1_555 |
8 |
5 |
15005 |
47.0 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.282 |
41 |
|
[NI]B:401 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
15133 |
46.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.282 |
Average: |
47.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.282 |
30 |
42 |
|
[G46]Q:510 |
4 |
1 |
538 |
f |
[GOL]A:404 |
x,y,z |
1_555 |
4 |
1 |
217 |
44.0 |
0.1 |
0.547 |
0 |
0 |
0 |
0.000 |
31 |
43 |
|
B |
4 |
1 |
15133 |
◊ |
C |
x-1/2,-y-3/2,-z |
3_435 |
5 |
2 |
15180 |
36.0 |
-0.2 |
0.537 |
0 |
0 |
0 |
0.000 |
44 |
|
A |
4 |
2 |
15074 |
◊ |
C |
x-1/2,-y-1/2,-z |
3_445 |
2 |
1 |
15180 |
26.7 |
0.2 |
0.721 |
1 |
0 |
0 |
0.000 |
Average: |
31.3 |
-0.0 |
0.629 |
1 |
0 |
0 |
0.000 |
32 |
45 |
|
[G46]R:510 |
4 |
1 |
367 |
f |
[NI]B:401 |
x,y,z |
1_555 |
1 |
1 |
115 |
32.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.015 |
33 |
46 |
|
[NI]C:401 |
1 |
1 |
115 |
◊ |
X |
x,y,z |
1_555 |
4 |
1 |
956 |
31.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.110 |
34 |
47 |
|
[G46]T:510 |
3 |
1 |
216 |
f |
[NI]D:401 |
x,y,z |
1_555 |
1 |
1 |
115 |
30.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.012 |
35 |
48 |
|
[NI]E:401 |
1 |
1 |
115 |
◊ |
Z |
x,y,z |
1_555 |
4 |
1 |
853 |
30.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.133 |
36 |
49 |
|
[G46]Q:510 |
5 |
1 |
538 |
f |
[NI]A:401 |
x,y,z |
1_555 |
1 |
1 |
115 |
30.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.011 |
37 |
50 |
|
[GOL]D:404 |
2 |
1 |
220 |
◊ |
[GOL]D:403 |
x,y,z |
1_555 |
1 |
1 |
219 |
17.1 |
-0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
38 |
51 |
|
E |
1 |
1 |
15005 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
15133 |
6.7 |
-0.0 |
0.591 |
0 |
0 |
0 |
0.000 |
39 |
52 |
|
E |
2 |
1 |
15005 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15074 |
4.7 |
-0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
53 |
|
E |
1 |
1 |
15005 |
◊ |
D |
-x+1,y-1/2,-z-1/2 |
4_644 |
1 |
1 |
14980 |
0.5 |
0.0 |
0.681 |
0 |
0 |
0 |
0.000 |
Average: |
2.6 |
-0.0 |
0.644 |
0 |
0 |
0 |
0.000 |
|