## |
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 |
|
G |
147 |
41 |
10191 |
◊ |
G |
-x,-y+1,z |
2_565 |
149 |
41 |
10191 |
1447.9 |
-14.4 |
0.277 |
10 |
2 |
0 |
1.000 |
2 |
|
H |
133 |
41 |
9633 |
◊ |
H |
-x+1,-y,z |
2_655 |
134 |
41 |
9633 |
1287.0 |
-10.5 |
0.425 |
12 |
2 |
0 |
1.000 |
3 |
|
F |
131 |
39 |
10152 |
◊ |
E |
x,y,z |
1_555 |
129 |
40 |
9957 |
1245.7 |
-9.2 |
0.413 |
17 |
2 |
0 |
1.000 |
Average: |
1326.9 |
-11.3 |
0.372 |
13 |
2 |
0 |
1.000 |
2 |
4 |
|
B |
117 |
36 |
11005 |
◊ |
A |
x,y,z |
1_555 |
126 |
37 |
9994 |
1180.8 |
-10.7 |
0.257 |
11 |
2 |
0 |
1.000 |
5 |
|
D |
126 |
38 |
9898 |
◊ |
C |
x,y,z |
1_555 |
117 |
36 |
10910 |
1144.9 |
-13.0 |
0.187 |
10 |
2 |
0 |
1.000 |
Average: |
1162.8 |
-11.8 |
0.222 |
11 |
2 |
0 |
1.000 |
3 |
6 |
|
B |
137 |
30 |
11005 |
◊ |
C |
x,y-1,z |
1_545 |
133 |
30 |
10910 |
1153.5 |
-12.2 |
0.221 |
6 |
1 |
0 |
0.309 |
4 |
7 |
|
A |
83 |
27 |
9994 |
◊ |
D |
-x+1/2,y-1/2,-z |
3_545 |
77 |
25 |
9898 |
773.3 |
-11.4 |
0.121 |
2 |
0 |
0 |
0.027 |
5 |
8 |
|
J |
50 |
14 |
12390 |
◊ |
H |
-x+1,-y,z |
2_655 |
37 |
12 |
9633 |
399.1 |
-11.3 |
0.484 |
8 |
0 |
0 |
0.584 |
6 |
9 |
|
I |
47 |
14 |
12391 |
◊ |
G |
-x,-y+1,z |
2_565 |
37 |
12 |
10191 |
351.1 |
-10.3 |
0.495 |
8 |
0 |
0 |
0.612 |
7 |
10 |
|
[4SU]J:8 |
20 |
1 |
445 |
cf |
J |
x,y,z |
1_555 |
45 |
11 |
12390 |
318.7 |
-6.4 |
0.710 |
3 |
0 |
0 |
0.306 |
11 |
|
[4SU]I:8 |
20 |
1 |
445 |
cf |
I |
x,y,z |
1_555 |
47 |
11 |
12391 |
310.1 |
-6.0 |
0.748 |
2 |
0 |
0 |
0.306 |
Average: |
314.4 |
-6.2 |
0.729 |
3 |
0 |
0 |
0.306 |
8 |
12 |
|
J |
43 |
6 |
12390 |
◊ |
I |
-x+1/2,y-1/2,-z-1 |
3_544 |
37 |
6 |
12391 |
310.9 |
4.6 |
0.990 |
5 |
0 |
0 |
0.000 |
9 |
13 |
|
[OMC]J:32 |
21 |
1 |
458 |
cf |
J |
x,y,z |
1_555 |
43 |
5 |
12390 |
256.6 |
2.8 |
0.857 |
2 |
0 |
0 |
0.000 |
14 |
|
[OMC]I:32 |
21 |
1 |
458 |
cf |
I |
x,y,z |
1_555 |
42 |
5 |
12391 |
252.3 |
2.9 |
0.878 |
0 |
0 |
0 |
0.000 |
Average: |
254.5 |
2.9 |
0.867 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
B |
30 |
8 |
11005 |
◊ |
I |
x,y-1,z |
1_545 |
33 |
8 |
12391 |
248.3 |
-6.1 |
0.545 |
3 |
0 |
0 |
0.133 |
16 |
|
J |
28 |
6 |
12390 |
◊ |
C |
x,y-1,z |
1_545 |
26 |
7 |
10910 |
200.2 |
-5.0 |
0.529 |
1 |
0 |
0 |
0.133 |
Average: |
224.2 |
-5.6 |
0.537 |
2 |
0 |
0 |
0.133 |
11 |
17 |
|
E |
27 |
8 |
9957 |
◊ |
C |
-x+1/2,y-1/2,-z-1 |
3_544 |
32 |
9 |
10910 |
246.1 |
0.1 |
0.680 |
3 |
1 |
0 |
0.014 |
18 |
|
F |
25 |
7 |
10152 |
◊ |
B |
x,y,z |
1_555 |
31 |
11 |
11005 |
242.3 |
0.2 |
0.683 |
2 |
1 |
0 |
0.014 |
Average: |
244.2 |
0.1 |
0.681 |
3 |
1 |
0 |
0.014 |
12 |
19 |
|
F |
21 |
6 |
10152 |
◊ |
I |
x,y-1,z |
1_545 |
29 |
5 |
12391 |
220.0 |
-8.1 |
0.352 |
6 |
0 |
0 |
0.348 |
20 |
|
J |
31 |
6 |
12390 |
◊ |
E |
-x+1/2,y-1/2,-z-1 |
3_544 |
20 |
6 |
9957 |
218.5 |
-7.4 |
0.453 |
7 |
0 |
0 |
0.348 |
Average: |
219.2 |
-7.7 |
0.402 |
7 |
0 |
0 |
0.348 |
13 |
21 |
|
I |
26 |
5 |
12391 |
◊ |
C |
x,y,z |
1_555 |
27 |
9 |
10910 |
215.2 |
-0.7 |
0.809 |
2 |
0 |
0 |
0.021 |
22 |
|
J |
25 |
4 |
12390 |
◊ |
B |
x,y,z |
1_555 |
23 |
7 |
11005 |
176.7 |
-0.0 |
0.834 |
1 |
0 |
0 |
0.021 |
Average: |
195.9 |
-0.4 |
0.821 |
2 |
0 |
0 |
0.021 |
14 |
23 |
|
G |
22 |
9 |
10191 |
◊ |
G |
-x,-y,z |
2_555 |
22 |
9 |
10191 |
207.7 |
4.0 |
0.937 |
0 |
0 |
0 |
0.000 |
15 |
24 |
|
[H2U]J:20 |
19 |
1 |
445 |
cf |
J |
x,y,z |
1_555 |
25 |
7 |
12390 |
200.7 |
-0.9 |
0.698 |
0 |
0 |
0 |
0.036 |
25 |
|
[H2U]I:20 |
19 |
1 |
442 |
cf |
I |
x,y,z |
1_555 |
24 |
7 |
12391 |
197.3 |
-0.8 |
0.703 |
0 |
0 |
0 |
0.036 |
Average: |
199.0 |
-0.8 |
0.700 |
0 |
0 |
0 |
0.036 |
16 |
26 |
|
E |
22 |
7 |
9957 |
◊ |
J |
-x+1/2,y-1/2,-z-1 |
3_544 |
26 |
7 |
12390 |
184.5 |
-3.4 |
0.671 |
4 |
0 |
0 |
0.000 |
27 |
|
I |
27 |
5 |
12391 |
◊ |
F |
x,y,z |
1_555 |
22 |
6 |
10152 |
181.6 |
-3.3 |
0.679 |
3 |
0 |
0 |
0.000 |
Average: |
183.1 |
-3.3 |
0.675 |
4 |
0 |
0 |
0.000 |
17 |
28 |
|
J |
21 |
6 |
12390 |
◊ |
D |
x,y-1,z |
1_545 |
23 |
7 |
9898 |
180.3 |
-5.1 |
0.467 |
2 |
0 |
0 |
0.114 |
29 |
|
A |
23 |
7 |
9994 |
◊ |
I |
x,y-1,z |
1_545 |
22 |
6 |
12391 |
171.0 |
-4.6 |
0.519 |
1 |
0 |
0 |
0.114 |
Average: |
175.7 |
-4.8 |
0.493 |
2 |
0 |
0 |
0.114 |
18 |
30 |
|
I |
19 |
4 |
12391 |
◊ |
G |
x,y,z |
1_555 |
18 |
6 |
10191 |
175.3 |
-2.0 |
0.681 |
1 |
0 |
0 |
0.101 |
31 |
|
J |
19 |
4 |
12390 |
◊ |
H |
x,y,z |
1_555 |
19 |
5 |
9633 |
148.6 |
-2.4 |
0.657 |
3 |
0 |
0 |
0.101 |
Average: |
161.9 |
-2.2 |
0.669 |
2 |
0 |
0 |
0.101 |
19 |
32 |
|
[PSU]I:55 |
19 |
1 |
433 |
cf |
I |
x,y,z |
1_555 |
20 |
4 |
12391 |
173.0 |
-3.6 |
0.607 |
2 |
0 |
0 |
0.197 |
33 |
|
[PSU]J:55 |
19 |
1 |
433 |
cf |
J |
x,y,z |
1_555 |
21 |
4 |
12390 |
169.5 |
-3.3 |
0.634 |
2 |
0 |
0 |
0.197 |
Average: |
171.3 |
-3.5 |
0.620 |
2 |
0 |
0 |
0.197 |
20 |
34 |
|
[5MU]J:54 |
17 |
1 |
446 |
cf |
J |
x,y,z |
1_555 |
27 |
5 |
12390 |
171.8 |
-0.2 |
0.841 |
1 |
0 |
0 |
0.025 |
35 |
|
[5MU]I:54 |
17 |
1 |
446 |
cf |
I |
x,y,z |
1_555 |
27 |
5 |
12391 |
171.4 |
0.2 |
0.853 |
1 |
0 |
0 |
0.025 |
Average: |
171.6 |
0.0 |
0.847 |
1 |
0 |
0 |
0.025 |
21 |
36 |
|
J |
19 |
5 |
12390 |
◊ |
F |
x,y,z |
1_555 |
22 |
7 |
10152 |
166.2 |
-3.9 |
0.528 |
2 |
0 |
0 |
0.094 |
37 |
|
E |
20 |
7 |
9957 |
◊ |
I |
-x+1/2,y-1/2,-z-1 |
3_544 |
16 |
5 |
12391 |
149.0 |
-4.0 |
0.464 |
1 |
0 |
0 |
0.094 |
Average: |
157.6 |
-3.9 |
0.496 |
2 |
0 |
0 |
0.094 |
22 |
38 |
|
J |
22 |
7 |
12390 |
◊ |
D |
x,y,z |
1_555 |
16 |
4 |
9898 |
158.6 |
-3.8 |
0.456 |
3 |
0 |
0 |
0.000 |
39 |
|
I |
20 |
6 |
12391 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
9994 |
150.6 |
-3.3 |
0.520 |
2 |
0 |
0 |
0.000 |
Average: |
154.6 |
-3.5 |
0.488 |
3 |
0 |
0 |
0.000 |
23 |
40 |
|
G |
20 |
7 |
10191 |
◊ |
A |
-x,-y,z |
2_555 |
21 |
6 |
9994 |
154.9 |
-0.5 |
0.615 |
0 |
0 |
0 |
0.008 |
24 |
41 |
|
[PSU]J:55 |
14 |
1 |
433 |
cf |
[5MU]J:54 |
x,y,z |
1_555 |
17 |
1 |
446 |
123.5 |
1.0 |
0.772 |
0 |
0 |
0 |
0.000 |
42 |
|
[PSU]I:55 |
14 |
1 |
433 |
cf |
[5MU]I:54 |
x,y,z |
1_555 |
17 |
1 |
446 |
116.7 |
0.7 |
0.756 |
0 |
0 |
0 |
0.000 |
Average: |
120.1 |
0.9 |
0.764 |
0 |
0 |
0 |
0.000 |
25 |
43 |
|
[OMC]J:32 |
10 |
1 |
458 |
◊ |
F |
x,y,z |
1_555 |
12 |
4 |
10152 |
110.4 |
-0.9 |
0.433 |
1 |
0 |
0 |
0.027 |
44 |
|
E |
14 |
5 |
9957 |
◊ |
[OMC]I:32 |
-x+1/2,y-1/2,-z-1 |
3_544 |
10 |
1 |
458 |
109.3 |
-1.3 |
0.430 |
0 |
0 |
0 |
0.027 |
Average: |
109.9 |
-1.1 |
0.431 |
1 |
0 |
0 |
0.027 |
26 |
45 |
|
H |
12 |
5 |
9633 |
◊ |
H |
-x+1,-y+1,z |
2_665 |
12 |
5 |
9633 |
103.2 |
1.1 |
0.807 |
0 |
4 |
0 |
0.000 |
27 |
46 |
|
J |
15 |
2 |
12390 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
10910 |
99.9 |
0.5 |
0.819 |
0 |
0 |
0 |
0.000 |
47 |
|
I |
12 |
1 |
12391 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
11005 |
91.4 |
0.8 |
0.809 |
0 |
0 |
0 |
0.000 |
Average: |
95.7 |
0.7 |
0.814 |
0 |
0 |
0 |
0.000 |
28 |
48 |
|
[H2U]I:20 |
11 |
1 |
442 |
◊ |
C |
x,y,z |
1_555 |
13 |
3 |
10910 |
91.9 |
-0.3 |
0.607 |
2 |
0 |
0 |
0.027 |
49 |
|
[H2U]J:20 |
10 |
1 |
445 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
11005 |
88.2 |
-0.1 |
0.612 |
3 |
0 |
0 |
0.027 |
Average: |
90.1 |
-0.2 |
0.610 |
3 |
0 |
0 |
0.027 |
29 |
50 |
|
C |
7 |
2 |
10910 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
11005 |
73.5 |
-0.2 |
0.603 |
0 |
0 |
0 |
0.000 |
30 |
51 |
|
I |
12 |
3 |
12391 |
◊ |
D |
-x+1/2,y-1/2,-z |
3_545 |
6 |
4 |
9898 |
69.8 |
-2.2 |
0.380 |
0 |
0 |
0 |
0.000 |
52 |
|
A |
7 |
4 |
9994 |
◊ |
J |
-x+1/2,y-1/2,-z |
3_545 |
11 |
2 |
12390 |
69.3 |
-2.2 |
0.367 |
0 |
0 |
0 |
0.000 |
Average: |
69.6 |
-2.2 |
0.373 |
0 |
0 |
0 |
0.000 |
31 |
53 |
|
F |
6 |
3 |
10152 |
◊ |
[OMC]I:32 |
x,y-1,z |
1_545 |
5 |
1 |
458 |
60.7 |
-2.2 |
0.309 |
1 |
0 |
0 |
0.073 |
54 |
|
[OMC]J:32 |
8 |
1 |
458 |
◊ |
E |
-x+1/2,y-1/2,-z-1 |
3_544 |
5 |
2 |
9957 |
46.0 |
-1.2 |
0.484 |
0 |
0 |
0 |
0.073 |
Average: |
53.3 |
-1.7 |
0.397 |
1 |
0 |
0 |
0.073 |
32 |
55 |
|
E |
7 |
2 |
9957 |
◊ |
D |
-x+1/2,y-1/2,-z-1 |
3_544 |
4 |
1 |
9898 |
54.1 |
0.5 |
0.740 |
0 |
0 |
0 |
0.000 |
56 |
|
F |
5 |
2 |
10152 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
9994 |
42.9 |
0.7 |
0.786 |
1 |
0 |
0 |
0.000 |
Average: |
48.5 |
0.6 |
0.763 |
1 |
0 |
0 |
0.000 |
33 |
57 |
|
[5MU]I:54 |
6 |
1 |
446 |
◊ |
D |
-x+1/2,y-1/2,-z |
3_545 |
6 |
1 |
9898 |
50.6 |
0.1 |
0.439 |
0 |
0 |
0 |
0.000 |
58 |
|
A |
6 |
1 |
9994 |
◊ |
[5MU]J:54 |
-x+1/2,y-1/2,-z |
3_545 |
6 |
1 |
446 |
50.0 |
0.2 |
0.464 |
0 |
0 |
0 |
0.000 |
Average: |
50.3 |
0.1 |
0.452 |
0 |
0 |
0 |
0.000 |
34 |
59 |
|
[5MU]J:54 |
5 |
1 |
446 |
◊ |
D |
x,y-1,z |
1_545 |
5 |
2 |
9898 |
37.8 |
-0.5 |
0.580 |
1 |
0 |
0 |
0.014 |
60 |
|
A |
2 |
2 |
9994 |
◊ |
[5MU]I:54 |
x,y-1,z |
1_545 |
4 |
1 |
446 |
24.5 |
-0.2 |
0.665 |
0 |
0 |
0 |
0.014 |
Average: |
31.2 |
-0.3 |
0.622 |
1 |
0 |
0 |
0.014 |
35 |
61 |
|
[PSU]J:55 |
4 |
1 |
433 |
◊ |
D |
x,y-1,z |
1_545 |
4 |
2 |
9898 |
34.4 |
0.9 |
0.734 |
1 |
0 |
0 |
0.000 |
62 |
|
A |
1 |
1 |
9994 |
◊ |
[PSU]I:55 |
x,y-1,z |
1_545 |
1 |
1 |
433 |
0.2 |
0.0 |
0.524 |
0 |
0 |
0 |
0.000 |
Average: |
17.3 |
0.5 |
0.629 |
1 |
0 |
0 |
0.000 |
36 |
63 |
|
F |
3 |
2 |
10152 |
◊ |
E |
-x+1/2,y-1/2,-z-1 |
3_544 |
6 |
5 |
9957 |
24.1 |
1.1 |
0.842 |
0 |
0 |
0 |
0.000 |
37 |
64 |
|
A |
3 |
1 |
9994 |
◊ |
D |
-x+1/2,y-3/2,-z |
3_535 |
3 |
1 |
9898 |
20.2 |
0.3 |
0.760 |
0 |
0 |
0 |
0.000 |
38 |
65 |
|
J |
4 |
1 |
12390 |
◊ |
F |
-x+1/2,y-1/2,-z-1 |
3_544 |
2 |
1 |
10152 |
18.8 |
0.2 |
0.731 |
0 |
0 |
0 |
0.000 |
39 |
66 |
|
A |
2 |
1 |
9994 |
◊ |
H |
-x+1/2,y-1/2,-z |
3_545 |
1 |
1 |
9633 |
15.6 |
0.6 |
0.889 |
0 |
0 |
0 |
0.000 |
40 |
67 |
|
G |
1 |
1 |
10191 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
9633 |
4.9 |
0.1 |
0.806 |
0 |
0 |
0 |
0.000 |
|