| ## |
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 |
|
I |
239 |
54 |
7480 |
◊ |
H |
x,y,z |
1_555 |
244 |
54 |
7349 |
2302.7 |
-38.1 |
0.079 |
16 |
8 |
0 |
0.748 |
2 |
|
G |
241 |
54 |
7241 |
◊ |
F |
x,y,z |
1_555 |
239 |
54 |
7672 |
2233.9 |
-40.0 |
0.058 |
14 |
5 |
0 |
0.748 |
| Average: |
2268.3 |
-39.1 |
0.068 |
15 |
7 |
0 |
0.748 |
| 2 |
3 |
|
D |
86 |
20 |
4838 |
◊ |
C |
x,y,z |
1_555 |
91 |
20 |
4750 |
819.6 |
-11.9 |
0.789 |
41 |
0 |
0 |
1.000 |
4 |
|
B |
85 |
20 |
4851 |
◊ |
A |
x,y,z |
1_555 |
90 |
20 |
4734 |
818.2 |
-12.4 |
0.797 |
42 |
0 |
0 |
1.000 |
| Average: |
818.9 |
-12.2 |
0.793 |
42 |
0 |
0 |
1.000 |
| 3 |
5 |
|
K |
43 |
11 |
5584 |
◊ |
G |
-x+2,y-1/2,-z+2 |
2_747 |
36 |
12 |
7241 |
388.4 |
-1.9 |
0.547 |
4 |
4 |
0 |
0.047 |
6 |
|
H |
35 |
11 |
7349 |
◊ |
J |
-x+1,y-1/2,-z+1 |
2_646 |
44 |
12 |
5536 |
383.2 |
-2.1 |
0.520 |
5 |
5 |
0 |
0.047 |
| Average: |
385.8 |
-2.0 |
0.534 |
5 |
5 |
0 |
0.047 |
| 4 |
7 |
|
C |
43 |
7 |
4750 |
◊ |
K |
x,y,z |
1_555 |
44 |
15 |
5584 |
379.9 |
-7.5 |
0.458 |
7 |
0 |
0 |
0.549 |
8 |
|
A |
45 |
7 |
4734 |
◊ |
J |
x,y,z |
1_555 |
45 |
15 |
5536 |
379.1 |
-7.4 |
0.473 |
7 |
0 |
0 |
0.549 |
| Average: |
379.5 |
-7.4 |
0.465 |
7 |
0 |
0 |
0.549 |
| 5 |
9 |
|
D |
36 |
6 |
4838 |
◊ |
K |
x,y,z |
1_555 |
48 |
11 |
5584 |
374.9 |
-10.5 |
0.266 |
4 |
0 |
0 |
0.571 |
10 |
|
B |
36 |
6 |
4851 |
◊ |
J |
x,y,z |
1_555 |
47 |
11 |
5536 |
371.3 |
-10.4 |
0.288 |
4 |
0 |
0 |
0.571 |
| Average: |
373.1 |
-10.5 |
0.277 |
4 |
0 |
0 |
0.571 |
| 6 |
11 |
|
B |
36 |
6 |
4851 |
◊ |
F |
x,y,z |
1_555 |
35 |
11 |
7672 |
339.4 |
-7.9 |
0.428 |
4 |
0 |
0 |
0.124 |
12 |
|
D |
29 |
6 |
4838 |
◊ |
I |
x,y,z |
1_555 |
31 |
10 |
7480 |
296.9 |
-6.8 |
0.383 |
3 |
0 |
0 |
0.124 |
| Average: |
318.1 |
-7.3 |
0.405 |
4 |
0 |
0 |
0.124 |
| 7 |
13 |
|
D |
18 |
3 |
4838 |
◊ |
J |
x,y,z |
1_555 |
17 |
6 |
5536 |
161.8 |
-3.6 |
0.420 |
2 |
0 |
0 |
0.006 |
14 |
|
B |
18 |
3 |
4851 |
◊ |
K |
x,y,z |
1_555 |
17 |
6 |
5584 |
161.4 |
-3.5 |
0.445 |
2 |
0 |
0 |
0.006 |
| Average: |
161.6 |
-3.5 |
0.432 |
2 |
0 |
0 |
0.006 |
| 8 |
15 |
|
J |
19 |
7 |
5536 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
4 |
7241 |
161.2 |
-0.2 |
0.625 |
1 |
1 |
0 |
0.000 |
16 |
|
H |
12 |
4 |
7349 |
◊ |
K |
-x+2,y-1/2,-z+2 |
2_747 |
12 |
4 |
5584 |
131.2 |
-0.4 |
0.571 |
3 |
0 |
0 |
0.000 |
| Average: |
146.2 |
-0.3 |
0.598 |
2 |
1 |
0 |
0.000 |
| 9 |
17 |
|
K |
18 |
6 |
5584 |
◊ |
F |
-x+2,y-1/2,-z+2 |
2_747 |
15 |
4 |
7672 |
156.9 |
-2.7 |
0.270 |
0 |
0 |
0 |
0.025 |
18 |
|
I |
16 |
4 |
7480 |
◊ |
J |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
5 |
5536 |
141.4 |
-2.1 |
0.336 |
0 |
0 |
0 |
0.025 |
| Average: |
149.1 |
-2.4 |
0.303 |
0 |
0 |
0 |
0.025 |
| 10 |
19 |
|
K |
13 |
5 |
5584 |
◊ |
J |
x,y,z |
1_555 |
13 |
5 |
5536 |
136.4 |
2.3 |
0.839 |
2 |
0 |
0 |
0.000 |
| 11 |
20 |
|
C |
17 |
3 |
4750 |
◊ |
D |
x,y,z-1 |
1_554 |
17 |
3 |
4838 |
136.2 |
-0.1 |
0.650 |
4 |
0 |
0 |
0.000 |
21 |
|
B |
15 |
3 |
4851 |
◊ |
A |
x-1,y,z |
1_455 |
17 |
3 |
4734 |
132.2 |
-0.3 |
0.639 |
3 |
0 |
0 |
0.000 |
| Average: |
134.2 |
-0.2 |
0.645 |
4 |
0 |
0 |
0.000 |
| 12 |
22 |
|
C |
19 |
5 |
4750 |
◊ |
F |
-x+2,y-1/2,-z+1 |
2_746 |
12 |
4 |
7672 |
133.3 |
-0.1 |
0.642 |
0 |
0 |
0 |
0.000 |
23 |
|
I |
11 |
4 |
7480 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
10 |
3 |
4734 |
77.8 |
-0.3 |
0.528 |
0 |
0 |
0 |
0.000 |
| Average: |
105.6 |
-0.2 |
0.585 |
0 |
0 |
0 |
0.000 |
| 13 |
24 |
|
A |
21 |
5 |
4734 |
◊ |
F |
x,y,z |
1_555 |
12 |
4 |
7672 |
133.0 |
-0.7 |
0.715 |
1 |
0 |
0 |
0.014 |
25 |
|
C |
20 |
5 |
4750 |
◊ |
I |
x,y,z |
1_555 |
12 |
4 |
7480 |
131.7 |
-0.6 |
0.713 |
1 |
0 |
0 |
0.014 |
| Average: |
132.3 |
-0.7 |
0.714 |
1 |
0 |
0 |
0.014 |
| 14 |
26 |
|
B |
13 |
1 |
4851 |
x |
B |
x-1,y,z |
1_455 |
14 |
1 |
4851 |
114.3 |
1.8 |
0.851 |
1 |
0 |
0 |
0.000 |
27 |
|
D |
14 |
1 |
4838 |
x |
D |
x,y,z-1 |
1_554 |
12 |
1 |
4838 |
113.0 |
0.8 |
0.772 |
1 |
0 |
0 |
0.000 |
| Average: |
113.6 |
1.3 |
0.812 |
1 |
0 |
0 |
0.000 |
| 15 |
28 |
|
K |
10 |
4 |
5584 |
◊ |
I |
x,y,z |
1_555 |
16 |
7 |
7480 |
113.6 |
0.0 |
0.648 |
0 |
0 |
0 |
0.009 |
29 |
|
J |
8 |
4 |
5536 |
◊ |
F |
x,y,z |
1_555 |
13 |
6 |
7672 |
92.8 |
-0.8 |
0.531 |
0 |
0 |
0 |
0.009 |
| Average: |
103.2 |
-0.4 |
0.589 |
0 |
0 |
0 |
0.009 |
| 16 |
30 |
|
D |
17 |
3 |
4838 |
◊ |
H |
x,y,z |
1_555 |
13 |
4 |
7349 |
109.2 |
-4.7 |
0.320 |
1 |
0 |
0 |
0.069 |
31 |
|
B |
17 |
3 |
4851 |
◊ |
G |
x,y,z |
1_555 |
13 |
4 |
7241 |
107.0 |
-4.6 |
0.345 |
1 |
0 |
0 |
0.069 |
| Average: |
108.1 |
-4.7 |
0.333 |
1 |
0 |
0 |
0.069 |
| 17 |
32 |
|
H |
16 |
4 |
7349 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
4 |
4734 |
107.8 |
-3.8 |
0.405 |
1 |
0 |
0 |
0.040 |
33 |
|
C |
13 |
3 |
4750 |
◊ |
G |
-x+2,y-1/2,-z+2 |
2_747 |
13 |
4 |
7241 |
89.7 |
-3.7 |
0.403 |
1 |
0 |
0 |
0.040 |
| Average: |
98.8 |
-3.7 |
0.404 |
1 |
0 |
0 |
0.040 |
| 18 |
34 |
|
H |
11 |
4 |
7349 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
12 |
2 |
4851 |
99.3 |
-1.1 |
0.623 |
1 |
0 |
0 |
0.000 |
35 |
|
D |
12 |
2 |
4838 |
◊ |
G |
-x+2,y-1/2,-z+1 |
2_746 |
12 |
4 |
7241 |
95.2 |
-1.8 |
0.555 |
1 |
0 |
0 |
0.000 |
| Average: |
97.2 |
-1.4 |
0.589 |
1 |
0 |
0 |
0.000 |
| 19 |
36 |
|
A |
14 |
3 |
4734 |
◊ |
K |
x,y,z |
1_555 |
8 |
2 |
5584 |
96.3 |
-0.6 |
0.648 |
4 |
0 |
0 |
0.003 |
37 |
|
C |
15 |
3 |
4750 |
◊ |
J |
x,y,z |
1_555 |
8 |
2 |
5536 |
96.3 |
-0.6 |
0.657 |
4 |
0 |
0 |
0.003 |
| Average: |
96.3 |
-0.6 |
0.652 |
4 |
0 |
0 |
0.003 |
| 20 |
38 |
|
A |
12 |
1 |
4734 |
x |
A |
x-1,y,z |
1_455 |
14 |
1 |
4734 |
95.8 |
2.2 |
0.822 |
0 |
0 |
0 |
0.000 |
39 |
|
C |
14 |
1 |
4750 |
x |
C |
x,y,z-1 |
1_554 |
12 |
1 |
4750 |
94.9 |
2.1 |
0.818 |
0 |
0 |
0 |
0.000 |
| Average: |
95.3 |
2.1 |
0.820 |
0 |
0 |
0 |
0.000 |
| 21 |
40 |
|
I |
10 |
3 |
7480 |
◊ |
J |
-x+2,y-1/2,-z+1 |
2_746 |
8 |
1 |
5536 |
74.3 |
-0.2 |
0.586 |
0 |
0 |
0 |
0.000 |
41 |
|
K |
7 |
1 |
5584 |
◊ |
F |
-x+2,y-1/2,-z+1 |
2_746 |
11 |
3 |
7672 |
64.7 |
0.2 |
0.686 |
2 |
0 |
0 |
0.000 |
| Average: |
69.5 |
0.0 |
0.636 |
1 |
0 |
0 |
0.000 |
| 22 |
42 |
|
I |
7 |
2 |
7480 |
◊ |
F |
-x+2,y-1/2,-z+1 |
2_746 |
8 |
2 |
7672 |
74.1 |
1.6 |
0.848 |
0 |
2 |
0 |
0.000 |
| 23 |
43 |
|
D |
10 |
3 |
4838 |
◊ |
F |
-x+2,y-1/2,-z+1 |
2_746 |
6 |
1 |
7672 |
54.6 |
2.2 |
0.870 |
2 |
0 |
0 |
0.000 |
44 |
|
I |
8 |
2 |
7480 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
6 |
2 |
4851 |
45.3 |
0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
| Average: |
50.0 |
1.2 |
0.763 |
1 |
0 |
0 |
0.000 |
| 24 |
45 |
|
[MG]K:606 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
7 |
6 |
5584 |
51.3 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.452 |
46 |
|
[MG]J:605 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
8 |
6 |
5536 |
51.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.452 |
| Average: |
51.2 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.452 |
| 25 |
47 |
|
[MG]H:602 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
9 |
6 |
7349 |
51.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.132 |
48 |
|
[MG]G:604 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
9 |
6 |
7241 |
50.8 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.132 |
| Average: |
50.9 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.132 |
| 26 |
49 |
|
[MG]I:603 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
11 |
6 |
7480 |
50.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.122 |
50 |
|
[MG]F:601 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
7672 |
50.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.122 |
| Average: |
50.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.122 |
| 27 |
51 |
|
I |
3 |
1 |
7480 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
7672 |
45.7 |
1.0 |
0.810 |
0 |
0 |
0 |
0.000 |
52 |
|
I |
5 |
2 |
7480 |
◊ |
F |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
7672 |
21.6 |
0.0 |
0.678 |
0 |
0 |
0 |
0.000 |
| Average: |
33.7 |
0.5 |
0.744 |
0 |
0 |
0 |
0.000 |
| 28 |
53 |
|
D |
4 |
2 |
4838 |
◊ |
G |
-x+1,y-1/2,-z+2 |
2_647 |
2 |
1 |
7241 |
28.7 |
-1.9 |
0.239 |
0 |
0 |
0 |
0.000 |
54 |
|
H |
1 |
1 |
7349 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
3 |
1 |
4851 |
20.4 |
-1.3 |
0.233 |
0 |
0 |
0 |
0.000 |
| Average: |
24.5 |
-1.6 |
0.236 |
0 |
0 |
0 |
0.000 |
| 29 |
55 |
|
H |
2 |
2 |
7349 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
7672 |
20.2 |
-0.0 |
0.495 |
0 |
0 |
0 |
0.000 |
56 |
|
I |
3 |
1 |
7480 |
◊ |
G |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
7241 |
8.9 |
-0.3 |
0.427 |
0 |
0 |
0 |
0.000 |
| Average: |
14.5 |
-0.2 |
0.461 |
0 |
0 |
0 |
0.000 |
| 30 |
57 |
|
H |
4 |
2 |
7349 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
4851 |
15.4 |
0.2 |
0.660 |
0 |
0 |
0 |
0.001 |
58 |
|
D |
3 |
2 |
4838 |
◊ |
G |
-x+2,y-1/2,-z+2 |
2_747 |
4 |
2 |
7241 |
14.2 |
-0.2 |
0.568 |
0 |
0 |
0 |
0.001 |
| Average: |
14.8 |
0.0 |
0.614 |
0 |
0 |
0 |
0.001 |
| 31 |
59 |
|
C |
1 |
1 |
4750 |
◊ |
F |
-x+2,y-1/2,-z+2 |
2_747 |
3 |
1 |
7672 |
8.5 |
-0.6 |
0.313 |
0 |
0 |
0 |
0.006 |
60 |
|
I |
1 |
1 |
7480 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
4734 |
1.6 |
-0.1 |
0.470 |
0 |
0 |
0 |
0.006 |
| Average: |
5.1 |
-0.3 |
0.391 |
0 |
0 |
0 |
0.006 |
| 32 |
61 |
|
[MG]J:605 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
4851 |
4.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.028 |
62 |
|
[MG]K:606 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
4838 |
3.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.028 |
| Average: |
3.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.028 |
|