## |
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 |
|
[NAP]B:214 |
48 |
1 |
915 |
f |
B |
x,y,z |
1_555 |
87 |
31 |
10414 |
628.9 |
-2.5 |
0.486 |
21 |
0 |
0 |
0.153 |
2 |
|
[NAP]A:210 |
48 |
1 |
912 |
f |
A |
x,y,z |
1_555 |
85 |
31 |
10321 |
622.5 |
-3.2 |
0.425 |
22 |
0 |
0 |
0.153 |
Average: |
625.7 |
-2.9 |
0.455 |
22 |
0 |
0 |
0.153 |
2 |
3 |
|
[25U]B:202 |
25 |
1 |
570 |
f |
B |
x,y,z |
1_555 |
57 |
21 |
10414 |
396.8 |
-5.1 |
0.328 |
6 |
0 |
0 |
0.096 |
4 |
|
[25U]A:201 |
25 |
1 |
575 |
f |
A |
x,y,z |
1_555 |
57 |
21 |
10321 |
393.6 |
-5.5 |
0.285 |
6 |
0 |
0 |
0.096 |
Average: |
395.2 |
-5.3 |
0.307 |
6 |
0 |
0 |
0.096 |
3 |
5 |
|
B |
47 |
18 |
10414 |
◊ |
A |
x,y,z |
1_555 |
46 |
14 |
10321 |
372.7 |
-2.6 |
0.372 |
3 |
1 |
0 |
0.000 |
6 |
|
B |
42 |
13 |
10414 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
42 |
14 |
10321 |
316.7 |
-3.4 |
0.318 |
0 |
1 |
0 |
0.000 |
Average: |
344.7 |
-3.0 |
0.345 |
2 |
1 |
0 |
0.000 |
4 |
7 |
|
B |
32 |
10 |
10414 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
20 |
8 |
10321 |
239.6 |
0.7 |
0.670 |
2 |
1 |
0 |
0.000 |
5 |
8 |
|
B |
30 |
8 |
10414 |
x |
B |
x-1/2,-y+1/2,-z |
8_455 |
20 |
7 |
10414 |
209.2 |
0.1 |
0.593 |
0 |
0 |
0 |
0.000 |
6 |
9 |
|
B |
16 |
6 |
10414 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
26 |
9 |
10321 |
179.5 |
-0.1 |
0.550 |
2 |
0 |
0 |
0.000 |
7 |
10 |
|
A |
21 |
8 |
10321 |
◊ |
A |
x,-y,-z |
4_555 |
21 |
8 |
10321 |
171.1 |
-0.1 |
0.632 |
4 |
0 |
0 |
0.011 |
11 |
|
B |
17 |
8 |
10414 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
17 |
8 |
10414 |
149.4 |
0.0 |
0.620 |
6 |
0 |
0 |
0.011 |
Average: |
160.2 |
-0.1 |
0.626 |
5 |
0 |
0 |
0.011 |
8 |
12 |
|
B |
14 |
5 |
10414 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
15 |
5 |
10414 |
140.1 |
-1.3 |
0.398 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
A |
14 |
5 |
10321 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
14 |
5 |
10414 |
111.8 |
-0.3 |
0.521 |
0 |
5 |
0 |
0.000 |
10 |
14 |
|
A |
10 |
2 |
10321 |
◊ |
A |
x,-y,-z+1 |
4_556 |
10 |
2 |
10321 |
101.5 |
-0.6 |
0.482 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
A |
7 |
2 |
10321 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
7 |
2 |
10321 |
92.9 |
-1.6 |
0.188 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
[EOH]A:202 |
3 |
1 |
171 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
10321 |
87.7 |
2.5 |
0.232 |
2 |
0 |
0 |
0.000 |
13 |
17 |
|
[NAP]A:210 |
10 |
1 |
912 |
f |
[25U]A:201 |
x,y,z |
1_555 |
11 |
1 |
575 |
78.7 |
-1.0 |
0.518 |
0 |
0 |
0 |
0.012 |
18 |
|
[NAP]B:214 |
10 |
1 |
915 |
f |
[25U]B:202 |
x,y,z |
1_555 |
11 |
1 |
570 |
76.9 |
-0.9 |
0.535 |
0 |
0 |
0 |
0.012 |
Average: |
77.8 |
-1.0 |
0.526 |
0 |
0 |
0 |
0.012 |
14 |
19 |
|
B |
11 |
3 |
10414 |
◊ |
A |
x,-y,-z |
4_555 |
9 |
4 |
10321 |
78.2 |
0.5 |
0.623 |
2 |
2 |
0 |
0.000 |
15 |
20 |
|
[SR]B:201 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
10414 |
75.2 |
-21.0 |
0.000 |
0 |
0 |
0 |
0.018 |
16 |
21 |
|
[CL]A:207 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
10321 |
64.0 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.125 |
17 |
22 |
|
[NH4]B:211 |
1 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
10414 |
60.7 |
0.8 |
0.753 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[CL]B:208 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
10414 |
58.3 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.006 |
19 |
24 |
|
[MG]B:206 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
10414 |
58.3 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.006 |
20 |
25 |
|
[CL]A:208 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
10321 |
57.0 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.091 |
21 |
26 |
|
[CL]B:207 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
10414 |
56.5 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.007 |
22 |
27 |
|
[SR]B:201 |
1 |
1 |
206 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
10321 |
55.9 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
B |
10 |
4 |
10414 |
f |
[CL]A:206 |
x-1/2,y+1/2,z |
5_455 |
1 |
1 |
125 |
54.5 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.006 |
24 |
29 |
|
[MG]A:205 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
10321 |
52.9 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.080 |
25 |
30 |
|
[CL]B:205 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
10414 |
52.6 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.007 |
26 |
31 |
|
[MG]B:212 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
10414 |
50.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.006 |
27 |
32 |
|
[MG]B:210 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
10414 |
47.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.006 |
28 |
33 |
|
[MG]B:213 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
10414 |
47.1 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.006 |
29 |
34 |
|
[CL]A:206 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
10321 |
46.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[EOH]B:203 |
2 |
1 |
172 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
10414 |
45.9 |
0.9 |
0.000 |
1 |
0 |
0 |
0.000 |
31 |
36 |
|
[CL]A:204 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
10321 |
43.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.069 |
32 |
37 |
|
B |
7 |
3 |
10414 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
8 |
5 |
10321 |
43.0 |
0.7 |
0.700 |
0 |
0 |
0 |
0.000 |
33 |
38 |
|
A |
7 |
2 |
10321 |
x |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
9 |
3 |
10321 |
42.0 |
-0.2 |
0.566 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
[EOH]B:203 |
2 |
1 |
172 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
5 |
3 |
10321 |
41.4 |
1.7 |
0.291 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
[MG]A:211 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
10321 |
40.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.070 |
36 |
41 |
|
[EOH]B:204 |
3 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
10414 |
39.0 |
1.2 |
0.875 |
1 |
0 |
0 |
0.000 |
37 |
42 |
|
[CL]A:204 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
10414 |
38.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
[MG]B:215 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
10414 |
38.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.004 |
39 |
44 |
|
[CL]A:203 |
1 |
1 |
125 |
◊ |
A |
x,-y,-z |
4_555 |
4 |
2 |
10321 |
38.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.054 |
40 |
45 |
|
[MG]A:209 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
10321 |
37.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.055 |
41 |
46 |
|
A |
5 |
2 |
10321 |
◊ |
[CL]B:208 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
1 |
1 |
125 |
31.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
47 |
|
[MG]B:210 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
10321 |
30.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
48 |
|
[CL]A:203 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
10321 |
27.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.037 |
44 |
49 |
|
[SR]B:201 |
1 |
1 |
206 |
f |
[CL]B:205 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.2 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.007 |
45 |
50 |
|
[MG]B:213 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
6 |
2 |
10321 |
26.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
51 |
|
[NAP]B:214 |
4 |
1 |
915 |
f |
[MG]B:212 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.002 |
47 |
52 |
|
[MG]A:209 |
1 |
1 |
98 |
◊ |
A |
x,-y,-z |
4_555 |
4 |
2 |
10321 |
23.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.030 |
48 |
53 |
|
[NH4]B:211 |
1 |
1 |
117 |
f |
[MG]B:206 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.002 |
49 |
54 |
|
B |
2 |
1 |
10414 |
◊ |
B |
x,-y+1,-z |
4_565 |
2 |
1 |
10414 |
19.9 |
1.3 |
0.936 |
0 |
0 |
0 |
0.000 |
55 |
|
A |
1 |
1 |
10321 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
1 |
1 |
10321 |
14.1 |
1.0 |
0.949 |
0 |
0 |
0 |
0.000 |
Average: |
17.0 |
1.2 |
0.943 |
0 |
0 |
0 |
0.000 |
50 |
56 |
|
[SR]B:201 |
1 |
1 |
206 |
◊ |
[CL]A:204 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
57 |
|
[CL]A:207 |
1 |
1 |
125 |
f |
[25U]A:201 |
x,y,z |
1_555 |
3 |
1 |
575 |
18.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.024 |
52 |
58 |
|
[CL]B:205 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
10321 |
18.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
59 |
|
[MG]B:215 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
10321 |
17.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
54 |
60 |
|
[MG]A:211 |
1 |
1 |
98 |
◊ |
A |
x,-y,-z |
4_555 |
1 |
1 |
10321 |
17.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.025 |
55 |
61 |
|
[MG]B:209 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
10414 |
16.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.001 |
56 |
62 |
|
[MG]A:209 |
1 |
1 |
98 |
◊ |
[MG]A:209 |
x,-y,-z |
4_555 |
1 |
1 |
98 |
16.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.019 |
57 |
63 |
|
[EOH]B:204 |
3 |
1 |
171 |
f |
A |
x-1/2,-y+1/2,-z |
8_455 |
1 |
1 |
10321 |
15.1 |
0.2 |
0.401 |
0 |
0 |
0 |
0.000 |
58 |
64 |
|
[MG]A:205 |
1 |
1 |
98 |
◊ |
A |
x,-y,-z |
4_555 |
2 |
1 |
10321 |
13.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.013 |
59 |
65 |
|
[MG]A:209 |
1 |
1 |
98 |
x |
[CL]A:203 |
x,y,z |
1_555 |
1 |
1 |
125 |
10.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.051 |
60 |
66 |
|
[NH4]B:211 |
1 |
1 |
117 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
2 |
1 |
10321 |
9.2 |
-0.0 |
0.628 |
0 |
0 |
0 |
0.000 |
61 |
67 |
|
[EOH]B:204 |
2 |
1 |
171 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
2 |
1 |
10321 |
5.9 |
0.2 |
0.812 |
0 |
0 |
0 |
0.000 |
62 |
68 |
|
[CL]B:207 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
10321 |
5.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
69 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
[CL]A:203 |
x,-y,-z |
4_555 |
1 |
1 |
125 |
4.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.100 |
64 |
70 |
|
[MG]B:209 |
1 |
1 |
98 |
◊ |
[CL]A:208 |
x,-y,-z |
4_555 |
1 |
1 |
125 |
2.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
|