## |
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 |
903 |
249 |
67874 |
◊ |
C |
x,y,z |
1_555 |
881 |
225 |
57359 |
8822.2 |
-86.8 |
0.001 |
88 |
35 |
0 |
0.905 |
2 |
|
N |
910 |
243 |
68528 |
◊ |
M |
x,y,z |
1_555 |
875 |
221 |
57358 |
8768.3 |
-83.5 |
0.002 |
91 |
40 |
0 |
0.905 |
Average: |
8795.3 |
-85.2 |
0.002 |
90 |
38 |
0 |
0.905 |
2 |
3 |
|
O |
233 |
60 |
7132 |
◊ |
N |
x,y,z |
1_555 |
241 |
61 |
68528 |
2323.3 |
-24.1 |
0.064 |
25 |
5 |
0 |
0.724 |
4 |
|
E |
233 |
58 |
7107 |
◊ |
D |
x,y,z |
1_555 |
229 |
61 |
67874 |
2284.1 |
-21.0 |
0.107 |
28 |
6 |
0 |
0.724 |
Average: |
2303.7 |
-22.5 |
0.085 |
27 |
6 |
0 |
0.724 |
3 |
5 |
|
C |
258 |
64 |
57359 |
◊ |
A |
x,y,z |
1_555 |
235 |
61 |
13876 |
2285.6 |
-6.5 |
0.645 |
22 |
19 |
0 |
1.000 |
6 |
|
M |
240 |
61 |
57358 |
◊ |
K |
x,y,z |
1_555 |
201 |
53 |
13785 |
1978.7 |
-2.8 |
0.743 |
20 |
14 |
0 |
1.000 |
Average: |
2132.2 |
-4.7 |
0.694 |
21 |
17 |
0 |
1.000 |
4 |
7 |
|
M |
206 |
63 |
57358 |
◊ |
C |
-y+1,x,z+1/4 |
3_655 |
221 |
65 |
57359 |
1903.5 |
5.1 |
0.923 |
11 |
6 |
0 |
0.000 |
5 |
8 |
|
B |
173 |
49 |
13493 |
◊ |
A |
x,y,z |
1_555 |
172 |
46 |
13876 |
1708.0 |
-26.6 |
0.023 |
8 |
1 |
0 |
1.000 |
9 |
|
L |
167 |
48 |
13469 |
◊ |
K |
x,y,z |
1_555 |
163 |
44 |
13785 |
1639.1 |
-26.0 |
0.019 |
8 |
0 |
0 |
1.000 |
Average: |
1673.6 |
-26.3 |
0.021 |
8 |
1 |
0 |
1.000 |
6 |
10 |
|
N |
163 |
49 |
68528 |
◊ |
D |
x,y,z |
1_555 |
168 |
49 |
67874 |
1467.1 |
-0.9 |
0.611 |
18 |
10 |
0 |
0.000 |
11 |
|
N |
146 |
41 |
68528 |
◊ |
D |
x,y-1,z |
1_545 |
144 |
48 |
67874 |
1344.3 |
-0.3 |
0.533 |
14 |
8 |
0 |
0.000 |
Average: |
1405.7 |
-0.6 |
0.572 |
16 |
9 |
0 |
0.000 |
7 |
12 |
|
N |
123 |
35 |
68528 |
◊ |
L |
x,y,z |
1_555 |
134 |
37 |
13469 |
1229.7 |
-2.3 |
0.558 |
11 |
11 |
0 |
0.032 |
13 |
|
D |
122 |
35 |
67874 |
◊ |
B |
x,y,z |
1_555 |
126 |
37 |
13493 |
1169.7 |
-2.2 |
0.586 |
10 |
11 |
0 |
0.032 |
Average: |
1199.7 |
-2.2 |
0.572 |
11 |
11 |
0 |
0.032 |
8 |
14 |
|
G |
127 |
14 |
5505 |
◊ |
D |
x,y,z |
1_555 |
120 |
33 |
67874 |
1055.7 |
-16.1 |
0.604 |
17 |
0 |
0 |
0.607 |
15 |
|
X |
120 |
14 |
5490 |
◊ |
N |
x,y,z |
1_555 |
109 |
31 |
68528 |
984.5 |
-13.1 |
0.654 |
18 |
0 |
0 |
0.607 |
Average: |
1020.1 |
-14.6 |
0.629 |
18 |
0 |
0 |
0.607 |
9 |
16 |
|
H |
107 |
15 |
3994 |
◊ |
C |
x,y,z |
1_555 |
100 |
39 |
57359 |
896.7 |
-13.7 |
0.750 |
9 |
0 |
0 |
1.000 |
17 |
|
Y |
101 |
14 |
4006 |
◊ |
M |
x,y,z |
1_555 |
92 |
31 |
57358 |
856.3 |
-14.8 |
0.664 |
12 |
0 |
0 |
1.000 |
Average: |
876.5 |
-14.3 |
0.707 |
11 |
0 |
0 |
1.000 |
10 |
18 |
|
G |
95 |
13 |
5505 |
◊ |
C |
x,y,z |
1_555 |
86 |
28 |
57359 |
765.5 |
-10.7 |
0.488 |
7 |
0 |
0 |
1.000 |
19 |
|
X |
84 |
12 |
5490 |
◊ |
M |
x,y,z |
1_555 |
80 |
26 |
57358 |
690.9 |
-8.2 |
0.528 |
5 |
0 |
0 |
1.000 |
Average: |
728.2 |
-9.5 |
0.508 |
6 |
0 |
0 |
1.000 |
11 |
20 |
|
Z |
59 |
13 |
3118 |
◊ |
X |
x,y,z |
1_555 |
69 |
13 |
5490 |
595.0 |
-7.9 |
0.648 |
38 |
0 |
0 |
1.000 |
21 |
|
I |
58 |
13 |
3114 |
◊ |
G |
x,y,z |
1_555 |
66 |
13 |
5505 |
593.9 |
-7.8 |
0.638 |
37 |
0 |
0 |
1.000 |
Average: |
594.4 |
-7.9 |
0.643 |
38 |
0 |
0 |
1.000 |
12 |
22 |
|
Y |
66 |
11 |
4006 |
◊ |
N |
x,y,z |
1_555 |
67 |
23 |
68528 |
521.9 |
-7.5 |
0.746 |
5 |
0 |
0 |
0.363 |
23 |
|
H |
65 |
12 |
3994 |
◊ |
D |
x,y,z |
1_555 |
62 |
22 |
67874 |
498.0 |
-8.8 |
0.687 |
7 |
0 |
0 |
0.363 |
Average: |
510.0 |
-8.1 |
0.717 |
6 |
0 |
0 |
0.363 |
13 |
24 |
|
H |
49 |
9 |
3994 |
◊ |
G |
x,y,z |
1_555 |
53 |
9 |
5505 |
454.9 |
-4.0 |
0.859 |
27 |
0 |
0 |
1.000 |
25 |
|
Y |
49 |
9 |
4006 |
◊ |
X |
x,y,z |
1_555 |
52 |
9 |
5490 |
453.0 |
-4.0 |
0.857 |
27 |
0 |
0 |
1.000 |
Average: |
454.0 |
-4.0 |
0.858 |
27 |
0 |
0 |
1.000 |
14 |
26 |
|
D |
31 |
9 |
67874 |
◊ |
M |
x,y,z |
1_555 |
41 |
13 |
57358 |
304.2 |
-1.7 |
0.477 |
1 |
0 |
0 |
0.000 |
27 |
|
N |
27 |
8 |
68528 |
◊ |
C |
x,y-1,z |
1_545 |
40 |
13 |
57359 |
282.6 |
-1.8 |
0.450 |
3 |
0 |
0 |
0.000 |
Average: |
293.4 |
-1.8 |
0.463 |
2 |
0 |
0 |
0.000 |
15 |
28 |
|
I |
38 |
6 |
3114 |
◊ |
D |
x,y,z |
1_555 |
35 |
15 |
67874 |
293.4 |
-6.0 |
0.350 |
3 |
0 |
0 |
0.101 |
29 |
|
Z |
32 |
6 |
3118 |
◊ |
N |
x,y,z |
1_555 |
30 |
13 |
68528 |
257.0 |
-5.7 |
0.333 |
1 |
0 |
0 |
0.101 |
Average: |
275.2 |
-5.9 |
0.341 |
2 |
0 |
0 |
0.101 |
16 |
30 |
|
C |
33 |
10 |
57359 |
◊ |
B |
x,y,z |
1_555 |
31 |
9 |
13493 |
284.9 |
2.6 |
0.859 |
2 |
5 |
0 |
0.000 |
31 |
|
M |
21 |
8 |
57358 |
◊ |
L |
x,y,z |
1_555 |
21 |
5 |
13469 |
153.0 |
0.4 |
0.697 |
1 |
1 |
0 |
0.000 |
Average: |
218.9 |
1.5 |
0.778 |
2 |
3 |
0 |
0.001 |
17 |
32 |
|
L |
22 |
8 |
13469 |
◊ |
B |
-y,x-1,z+1/4 |
3_545 |
21 |
8 |
13493 |
185.0 |
2.5 |
0.865 |
2 |
2 |
0 |
0.000 |
18 |
33 |
|
Z |
19 |
2 |
3118 |
◊ |
M |
x,y,z |
1_555 |
15 |
5 |
57358 |
135.7 |
-0.4 |
0.427 |
1 |
0 |
0 |
0.004 |
34 |
|
I |
16 |
2 |
3114 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
57359 |
116.8 |
-0.2 |
0.428 |
0 |
0 |
0 |
0.004 |
Average: |
126.2 |
-0.3 |
0.427 |
1 |
0 |
0 |
0.004 |
19 |
35 |
|
E |
17 |
5 |
7107 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
57359 |
127.9 |
-0.9 |
0.489 |
1 |
2 |
0 |
0.009 |
36 |
|
O |
17 |
6 |
7132 |
◊ |
M |
x,y,z |
1_555 |
14 |
6 |
57358 |
109.7 |
-0.0 |
0.636 |
1 |
1 |
0 |
0.009 |
Average: |
118.8 |
-0.5 |
0.562 |
1 |
2 |
0 |
0.009 |
20 |
37 |
|
[MG]N:8002 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
8 |
4 |
68528 |
42.8 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.244 |
38 |
|
[MG]D:8001 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
67874 |
40.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.244 |
Average: |
41.5 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.244 |
21 |
39 |
|
N |
3 |
1 |
68528 |
◊ |
K |
x,y,z |
1_555 |
4 |
1 |
13785 |
37.1 |
0.2 |
0.667 |
0 |
0 |
0 |
0.000 |
40 |
|
D |
3 |
1 |
67874 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
13876 |
15.5 |
-0.0 |
0.624 |
0 |
0 |
0 |
0.000 |
Average: |
26.3 |
0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
22 |
41 |
|
[MG]D:8001 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
3994 |
30.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.127 |
42 |
|
[MG]N:8002 |
1 |
1 |
98 |
◊ |
Y |
x,y,z |
1_555 |
4 |
1 |
4006 |
29.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.127 |
Average: |
29.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.127 |
23 |
43 |
|
[ZN]N:5058 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
67874 |
23.4 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.333 |
44 |
|
N |
4 |
2 |
68528 |
f |
[ZN]D:4058 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
16.1 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.333 |
Average: |
19.7 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.333 |
|