## |
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 |
|
B |
110 |
26 |
15661 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
118 |
29 |
15289 |
975.0 |
-9.5 |
0.107 |
17 |
6 |
0 |
0.213 |
2 |
2 |
|
D |
111 |
32 |
15456 |
◊ |
D |
-x,y,-z-1/2 |
3_554 |
111 |
32 |
15456 |
935.5 |
7.2 |
0.869 |
16 |
8 |
0 |
0.043 |
3 |
|
B |
88 |
29 |
15661 |
◊ |
B |
-x+1,y,-z-1/2 |
3_654 |
87 |
29 |
15661 |
701.9 |
-0.7 |
0.484 |
12 |
8 |
0 |
0.043 |
Average: |
818.7 |
3.2 |
0.677 |
14 |
8 |
0 |
0.043 |
3 |
4 |
|
D |
104 |
24 |
15456 |
◊ |
C |
x,-y,-z |
4_555 |
112 |
29 |
15306 |
921.8 |
-6.9 |
0.185 |
15 |
7 |
0 |
0.194 |
4 |
5 |
|
A |
78 |
18 |
15289 |
◊ |
B |
x-1/2,-y+1/2,-z |
8_455 |
81 |
20 |
15661 |
663.5 |
-6.5 |
0.145 |
9 |
2 |
0 |
0.127 |
5 |
6 |
|
C |
72 |
21 |
15306 |
◊ |
A |
x,y,z |
1_555 |
74 |
23 |
15289 |
638.4 |
3.6 |
0.810 |
9 |
3 |
0 |
0.000 |
6 |
7 |
|
D |
76 |
19 |
15456 |
◊ |
C |
-x,-y,z-1/2 |
2_554 |
72 |
19 |
15306 |
626.6 |
-4.1 |
0.263 |
9 |
2 |
0 |
0.112 |
7 |
8 |
|
C |
40 |
14 |
15306 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
43 |
14 |
15289 |
352.4 |
0.8 |
0.656 |
9 |
0 |
0 |
0.000 |
8 |
9 |
|
[GMP]B:401 |
20 |
1 |
423 |
f |
B |
x,y,z |
1_555 |
44 |
20 |
15661 |
285.7 |
1.0 |
0.364 |
9 |
0 |
0 |
0.058 |
10 |
|
[GMP]A:401 |
20 |
1 |
419 |
f |
A |
x,y,z |
1_555 |
46 |
20 |
15289 |
282.6 |
1.2 |
0.388 |
7 |
0 |
0 |
0.058 |
11 |
|
[GMP]C:401 |
20 |
1 |
423 |
f |
C |
x,y,z |
1_555 |
42 |
19 |
15306 |
280.4 |
1.1 |
0.394 |
7 |
0 |
0 |
0.058 |
12 |
|
[GMP]D:401 |
20 |
1 |
420 |
f |
D |
x,y,z |
1_555 |
41 |
19 |
15456 |
277.8 |
1.1 |
0.367 |
8 |
0 |
0 |
0.058 |
Average: |
281.6 |
1.1 |
0.378 |
8 |
0 |
0 |
0.058 |
9 |
13 |
|
D |
32 |
13 |
15456 |
◊ |
D |
x,-y,-z |
4_555 |
32 |
13 |
15456 |
272.2 |
1.4 |
0.680 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
C |
34 |
11 |
15306 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
34 |
12 |
15289 |
265.3 |
-4.4 |
0.159 |
2 |
0 |
0 |
0.000 |
11 |
15 |
|
B |
31 |
15 |
15661 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
36 |
15 |
15289 |
244.2 |
-1.9 |
0.303 |
0 |
1 |
0 |
0.000 |
12 |
16 |
|
D |
28 |
10 |
15456 |
◊ |
A |
-x,-y,z-1/2 |
2_554 |
30 |
7 |
15289 |
238.0 |
0.9 |
0.657 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
D |
24 |
9 |
15456 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
25 |
8 |
15289 |
225.7 |
-1.0 |
0.304 |
2 |
0 |
0 |
0.000 |
14 |
18 |
|
B |
30 |
7 |
15661 |
◊ |
C |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
27 |
9 |
15306 |
214.5 |
0.3 |
0.594 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
C |
28 |
7 |
15306 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
28 |
7 |
15306 |
210.6 |
-4.3 |
0.085 |
2 |
0 |
0 |
0.034 |
16 |
20 |
|
A |
28 |
8 |
15289 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
28 |
8 |
15289 |
182.3 |
-4.1 |
0.091 |
2 |
0 |
0 |
0.029 |
17 |
21 |
|
D |
22 |
8 |
15456 |
◊ |
A |
x,-y,-z |
4_555 |
17 |
8 |
15289 |
172.8 |
1.3 |
0.630 |
1 |
2 |
0 |
0.000 |
18 |
22 |
|
D |
15 |
8 |
15456 |
◊ |
B |
x,y,z |
1_555 |
21 |
8 |
15661 |
161.5 |
0.7 |
0.649 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
C |
21 |
6 |
15306 |
◊ |
B |
x-1/2,-y+1/2,-z |
8_455 |
15 |
7 |
15661 |
147.3 |
0.3 |
0.601 |
1 |
1 |
0 |
0.000 |
20 |
24 |
|
C |
17 |
8 |
15306 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
15661 |
131.8 |
3.4 |
0.897 |
1 |
2 |
0 |
0.000 |
21 |
25 |
|
D |
10 |
4 |
15456 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
9 |
4 |
15661 |
62.8 |
0.4 |
0.644 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[NI]C:404 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
15306 |
45.0 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.160 |
27 |
|
[NI]B:402 |
1 |
1 |
115 |
f |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
10 |
4 |
15289 |
44.9 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.160 |
28 |
|
[NI]C:403 |
1 |
1 |
115 |
f |
D |
x,-y,-z |
4_555 |
13 |
7 |
15456 |
40.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.160 |
29 |
|
B |
11 |
5 |
15661 |
f |
[NI]A:403 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
115 |
39.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.160 |
Average: |
42.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.160 |
23 |
30 |
|
C |
4 |
2 |
15306 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
6 |
2 |
15289 |
41.5 |
-0.5 |
0.409 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
[NI]B:402 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
15661 |
41.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.069 |
32 |
|
[NI]C:404 |
1 |
1 |
115 |
◊ |
D |
x,-y,-z |
4_555 |
5 |
2 |
15456 |
40.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.069 |
Average: |
41.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.069 |
25 |
33 |
|
[NI]A:403 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
15289 |
38.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.069 |
34 |
|
[NI]C:403 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
15306 |
37.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.069 |
Average: |
38.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.069 |
26 |
35 |
|
[NI]A:402 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
15289 |
38.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.188 |
36 |
|
[NI]C:402 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
15306 |
36.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.188 |
37 |
|
[NI]B:403 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
15661 |
36.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.188 |
38 |
|
A |
6 |
2 |
15289 |
◊ |
[NI]B:403 |
x-1/2,-y+1/2,-z |
8_455 |
1 |
1 |
115 |
34.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.188 |
39 |
|
[NI]D:402 |
1 |
1 |
115 |
◊ |
C |
-x,-y,z-1/2 |
2_554 |
6 |
2 |
15306 |
30.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.188 |
40 |
|
[NI]A:402 |
1 |
1 |
115 |
◊ |
B |
x-1/2,-y+1/2,-z |
8_455 |
5 |
2 |
15661 |
27.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.188 |
Average: |
33.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.188 |
27 |
41 |
|
[NI]D:402 |
1 |
1 |
115 |
c |
D |
x,y,z |
1_555 |
5 |
2 |
15456 |
36.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.098 |
42 |
|
D |
5 |
2 |
15456 |
◊ |
[NI]C:402 |
-x,-y,z-1/2 |
2_554 |
1 |
1 |
115 |
31.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.098 |
Average: |
33.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.098 |
28 |
43 |
|
D |
6 |
4 |
15456 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
5 |
15661 |
30.7 |
-0.1 |
0.471 |
0 |
0 |
0 |
0.000 |
29 |
44 |
|
[NI]D:402 |
1 |
1 |
115 |
f |
[NI]C:402 |
-x,-y,z-1/2 |
2_554 |
1 |
1 |
115 |
23.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.063 |
30 |
45 |
|
[NI]A:402 |
1 |
1 |
115 |
f |
[NI]B:403 |
x-1/2,-y+1/2,-z |
8_455 |
1 |
1 |
115 |
22.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.054 |
31 |
46 |
|
[NI]A:402 |
1 |
1 |
115 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
5 |
2 |
15306 |
18.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
|
[NI]C:402 |
1 |
1 |
115 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
3 |
2 |
15289 |
17.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
|
[NI]B:403 |
1 |
1 |
115 |
◊ |
C |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
3 |
2 |
15306 |
12.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
|
[NI]D:402 |
1 |
1 |
115 |
◊ |
A |
x,-y,-z |
4_555 |
3 |
2 |
15289 |
9.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
14.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
50 |
|
[NI]A:403 |
1 |
1 |
115 |
◊ |
B |
x-1/2,-y+1/2,-z |
8_455 |
3 |
1 |
15661 |
12.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.014 |
51 |
|
D |
3 |
1 |
15456 |
◊ |
[NI]C:403 |
-x,-y,z-1/2 |
2_554 |
1 |
1 |
115 |
10.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
11.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.014 |
33 |
52 |
|
[NI]D:402 |
1 |
1 |
115 |
f |
C |
x,-y,-z |
4_555 |
3 |
2 |
15306 |
8.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.011 |
53 |
|
[NI]B:403 |
1 |
1 |
115 |
f |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
15289 |
4.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
6.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
|