| ## |
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 |
|
J |
161 |
37 |
11522 |
◊ |
D |
x,y,z |
1_555 |
171 |
46 |
11653 |
1664.0 |
-9.5 |
0.407 |
23 |
8 |
0 |
0.966 |
2 |
|
I |
176 |
46 |
11644 |
◊ |
B |
x,y,z |
1_555 |
161 |
35 |
11802 |
1663.2 |
-9.9 |
0.379 |
23 |
7 |
0 |
0.966 |
3 |
|
C |
162 |
36 |
12207 |
◊ |
A |
x,y,z |
1_555 |
173 |
46 |
12302 |
1661.2 |
-9.5 |
0.434 |
23 |
8 |
0 |
0.966 |
4 |
|
M |
174 |
45 |
11377 |
◊ |
K |
x,y,z |
1_555 |
155 |
35 |
11686 |
1637.2 |
-10.5 |
0.383 |
20 |
7 |
0 |
0.966 |
5 |
|
F |
175 |
45 |
11899 |
◊ |
A |
x,y,z |
1_555 |
158 |
36 |
12302 |
1636.6 |
-9.8 |
0.466 |
22 |
8 |
0 |
0.966 |
6 |
|
K |
172 |
45 |
11686 |
◊ |
D |
x,y,z |
1_555 |
157 |
34 |
11653 |
1632.1 |
-10.1 |
0.376 |
24 |
7 |
0 |
0.966 |
7 |
|
P |
171 |
43 |
11904 |
◊ |
G |
x,y,z |
1_555 |
158 |
34 |
11964 |
1630.0 |
-10.0 |
0.461 |
21 |
8 |
0 |
0.966 |
8 |
|
L |
172 |
46 |
11498 |
◊ |
I |
x,y,z |
1_555 |
160 |
34 |
11644 |
1625.3 |
-11.5 |
0.347 |
21 |
8 |
0 |
0.966 |
9 |
|
L |
152 |
33 |
11498 |
◊ |
H |
x,y,z |
1_555 |
171 |
45 |
11451 |
1621.0 |
-10.0 |
0.410 |
22 |
7 |
0 |
0.966 |
10 |
|
O |
151 |
32 |
12026 |
◊ |
N |
x,y,z |
1_555 |
175 |
44 |
12479 |
1615.4 |
-10.4 |
0.424 |
22 |
7 |
0 |
0.966 |
11 |
|
H |
154 |
33 |
11451 |
◊ |
B |
x,y,z |
1_555 |
172 |
46 |
11802 |
1610.7 |
-10.5 |
0.359 |
22 |
7 |
0 |
0.966 |
12 |
|
M |
150 |
32 |
11377 |
◊ |
J |
x,y,z |
1_555 |
169 |
44 |
11522 |
1588.2 |
-11.8 |
0.327 |
18 |
7 |
0 |
0.966 |
13 |
|
E |
152 |
33 |
11910 |
◊ |
C |
x,y,z |
1_555 |
174 |
43 |
12207 |
1585.0 |
-11.3 |
0.367 |
19 |
7 |
0 |
0.966 |
14 |
|
N |
153 |
32 |
12479 |
◊ |
G |
x,y,z |
1_555 |
167 |
42 |
11964 |
1583.6 |
-10.2 |
0.441 |
20 |
8 |
0 |
0.966 |
15 |
|
F |
153 |
32 |
11899 |
◊ |
E |
x,y,z |
1_555 |
170 |
44 |
11910 |
1583.5 |
-11.3 |
0.409 |
18 |
7 |
0 |
0.966 |
16 |
|
P |
151 |
32 |
11904 |
◊ |
O |
x,y,z |
1_555 |
164 |
42 |
12026 |
1550.8 |
-11.1 |
0.393 |
18 |
9 |
0 |
0.966 |
| Average: |
1618.0 |
-10.4 |
0.399 |
21 |
8 |
0 |
0.966 |
| 2 |
17 |
|
N |
67 |
15 |
12479 |
◊ |
C |
x-1,y,z |
1_455 |
67 |
15 |
12207 |
644.1 |
-3.0 |
0.534 |
8 |
0 |
0 |
0.157 |
18 |
|
O |
62 |
15 |
12026 |
◊ |
A |
x-1,y,z |
1_455 |
61 |
13 |
12302 |
547.3 |
-6.9 |
0.290 |
7 |
0 |
0 |
0.157 |
19 |
|
P |
54 |
12 |
11904 |
◊ |
F |
x-1,y,z |
1_455 |
55 |
12 |
11899 |
465.6 |
-4.5 |
0.424 |
8 |
0 |
0 |
0.157 |
20 |
|
G |
56 |
12 |
11964 |
◊ |
E |
x-1,y,z |
1_455 |
54 |
12 |
11910 |
464.2 |
-4.5 |
0.422 |
8 |
0 |
0 |
0.157 |
| Average: |
530.3 |
-4.7 |
0.417 |
8 |
0 |
0 |
0.157 |
| 3 |
21 |
|
D |
44 |
13 |
11653 |
◊ |
B |
x-1,y,z |
1_455 |
40 |
11 |
11802 |
364.6 |
2.3 |
0.796 |
2 |
1 |
0 |
0.000 |
22 |
|
G |
29 |
9 |
11964 |
◊ |
A |
x,y,z |
1_555 |
36 |
12 |
12302 |
299.5 |
2.2 |
0.814 |
4 |
4 |
0 |
0.000 |
| Average: |
332.0 |
2.3 |
0.805 |
3 |
3 |
0 |
0.000 |
| 4 |
23 |
|
M |
32 |
10 |
11377 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
34 |
12 |
11653 |
306.2 |
-2.2 |
0.450 |
4 |
0 |
0 |
0.000 |
24 |
|
J |
33 |
12 |
11522 |
◊ |
G |
x,y,z |
1_555 |
30 |
10 |
11964 |
304.9 |
-2.1 |
0.445 |
4 |
0 |
0 |
0.000 |
25 |
|
F |
30 |
10 |
11899 |
◊ |
C |
-x+3,y-1/2,-z+2 |
2_847 |
34 |
12 |
12207 |
304.2 |
-2.1 |
0.456 |
4 |
0 |
0 |
0.000 |
26 |
|
L |
34 |
12 |
11498 |
◊ |
B |
-x+3,y-1/2,-z+1 |
2_846 |
32 |
11 |
11802 |
304.1 |
-2.1 |
0.425 |
5 |
0 |
0 |
0.000 |
27 |
|
H |
35 |
12 |
11451 |
◊ |
E |
x,y,z-1 |
1_554 |
31 |
10 |
11910 |
303.1 |
-2.0 |
0.475 |
5 |
0 |
0 |
0.000 |
28 |
|
I |
29 |
10 |
11644 |
◊ |
A |
x,y,z |
1_555 |
34 |
12 |
12302 |
297.1 |
-2.1 |
0.448 |
3 |
0 |
0 |
0.000 |
29 |
|
K |
30 |
10 |
11686 |
◊ |
O |
x,y,z-1 |
1_554 |
32 |
11 |
12026 |
289.4 |
-2.0 |
0.444 |
3 |
0 |
0 |
0.000 |
30 |
|
N |
15 |
6 |
12479 |
◊ |
P |
-x+2,y-1/2,-z+2 |
2_747 |
18 |
6 |
11904 |
161.3 |
-0.2 |
0.571 |
1 |
0 |
0 |
0.000 |
| Average: |
283.8 |
-1.8 |
0.464 |
4 |
0 |
0 |
0.000 |
| 5 |
31 |
|
G |
22 |
5 |
11964 |
◊ |
O |
-x+2,y-1/2,-z+2 |
2_747 |
22 |
6 |
12026 |
191.6 |
-1.7 |
0.468 |
1 |
0 |
0 |
0.000 |
32 |
|
E |
19 |
5 |
11910 |
◊ |
A |
-x+3,y-1/2,-z+2 |
2_847 |
20 |
6 |
12302 |
185.8 |
-1.7 |
0.456 |
2 |
0 |
0 |
0.000 |
33 |
|
L |
20 |
6 |
11498 |
◊ |
F |
x,y,z |
1_555 |
21 |
5 |
11899 |
173.5 |
-1.6 |
0.475 |
2 |
0 |
0 |
0.000 |
34 |
|
P |
18 |
5 |
11904 |
◊ |
D |
x,y,z |
1_555 |
20 |
6 |
11653 |
170.9 |
-1.5 |
0.464 |
2 |
0 |
0 |
0.000 |
35 |
|
J |
20 |
6 |
11522 |
◊ |
K |
-x+2,y-1/2,-z+1 |
2_746 |
20 |
6 |
11686 |
167.9 |
-1.2 |
0.491 |
2 |
0 |
0 |
0.000 |
36 |
|
B |
21 |
6 |
11802 |
◊ |
C |
x,y,z-1 |
1_554 |
18 |
5 |
12207 |
167.7 |
-1.3 |
0.455 |
2 |
0 |
0 |
0.000 |
37 |
|
M |
20 |
5 |
11377 |
◊ |
N |
x,y,z-1 |
1_554 |
20 |
6 |
12479 |
166.3 |
-1.1 |
0.529 |
2 |
0 |
0 |
0.000 |
38 |
|
H |
20 |
6 |
11451 |
◊ |
I |
-x+3,y-1/2,-z+1 |
2_846 |
19 |
5 |
11644 |
165.6 |
-1.4 |
0.475 |
2 |
0 |
0 |
0.000 |
| Average: |
173.7 |
-1.4 |
0.477 |
2 |
0 |
0 |
0.000 |
| 6 |
39 |
|
K |
17 |
8 |
11686 |
◊ |
J |
x,y,z |
1_555 |
16 |
8 |
11522 |
159.3 |
-0.8 |
0.529 |
1 |
2 |
0 |
0.036 |
40 |
|
O |
16 |
8 |
12026 |
◊ |
G |
x,y,z |
1_555 |
17 |
8 |
11964 |
157.8 |
-0.7 |
0.555 |
1 |
2 |
0 |
0.036 |
41 |
|
M |
16 |
8 |
11377 |
◊ |
D |
x,y,z |
1_555 |
18 |
8 |
11653 |
156.6 |
-0.7 |
0.559 |
1 |
2 |
0 |
0.036 |
42 |
|
L |
17 |
9 |
11498 |
◊ |
B |
x,y,z |
1_555 |
19 |
9 |
11802 |
156.4 |
-0.9 |
0.519 |
1 |
2 |
0 |
0.036 |
43 |
|
I |
17 |
8 |
11644 |
◊ |
H |
x,y,z |
1_555 |
17 |
8 |
11451 |
153.6 |
-0.6 |
0.574 |
1 |
2 |
0 |
0.036 |
44 |
|
P |
17 |
9 |
11904 |
◊ |
N |
x,y,z |
1_555 |
17 |
9 |
12479 |
153.2 |
-0.8 |
0.549 |
1 |
2 |
0 |
0.036 |
45 |
|
F |
15 |
8 |
11899 |
◊ |
C |
x,y,z |
1_555 |
16 |
8 |
12207 |
152.0 |
-0.9 |
0.529 |
1 |
2 |
0 |
0.036 |
46 |
|
E |
16 |
8 |
11910 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
12302 |
148.2 |
-0.8 |
0.538 |
1 |
2 |
0 |
0.036 |
| Average: |
154.6 |
-0.8 |
0.544 |
1 |
2 |
0 |
0.036 |
| 7 |
47 |
|
O |
16 |
6 |
12026 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
12207 |
140.9 |
-0.4 |
0.575 |
0 |
0 |
0 |
0.000 |
48 |
|
N |
8 |
3 |
12479 |
◊ |
E |
x,y,z |
1_555 |
16 |
5 |
11910 |
101.5 |
0.6 |
0.716 |
0 |
0 |
0 |
0.000 |
49 |
|
J |
8 |
3 |
11522 |
◊ |
L |
x-1,y,z |
1_455 |
7 |
3 |
11498 |
62.3 |
0.4 |
0.689 |
1 |
0 |
0 |
0.000 |
50 |
|
M |
9 |
3 |
11377 |
◊ |
H |
x-1,y,z |
1_455 |
8 |
4 |
11451 |
37.8 |
0.3 |
0.677 |
0 |
0 |
0 |
0.000 |
| Average: |
85.6 |
0.2 |
0.664 |
0 |
0 |
0 |
0.000 |
| 8 |
51 |
|
N |
13 |
5 |
12479 |
◊ |
G |
-x+2,y-1/2,-z+2 |
2_747 |
17 |
3 |
11964 |
120.7 |
-1.2 |
0.481 |
0 |
0 |
0 |
0.000 |
52 |
|
N |
18 |
3 |
12479 |
◊ |
J |
x,y,z |
1_555 |
14 |
5 |
11522 |
106.2 |
-0.1 |
0.607 |
0 |
0 |
0 |
0.000 |
53 |
|
L |
14 |
6 |
11498 |
◊ |
H |
-x+3,y-1/2,-z+1 |
2_846 |
17 |
3 |
11451 |
104.1 |
-0.1 |
0.613 |
0 |
0 |
0 |
0.000 |
54 |
|
H |
14 |
5 |
11451 |
◊ |
F |
x,y,z-1 |
1_554 |
18 |
3 |
11899 |
101.8 |
-0.1 |
0.612 |
0 |
0 |
0 |
0.000 |
55 |
|
D |
17 |
3 |
11653 |
◊ |
O |
x,y,z-1 |
1_554 |
13 |
5 |
12026 |
101.3 |
-0.3 |
0.582 |
0 |
0 |
0 |
0.000 |
56 |
|
A |
17 |
3 |
12302 |
◊ |
C |
-x+3,y-1/2,-z+2 |
2_847 |
12 |
5 |
12207 |
99.0 |
-0.2 |
0.594 |
0 |
0 |
0 |
0.000 |
57 |
|
K |
13 |
2 |
11686 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
12 |
5 |
11653 |
90.0 |
-0.3 |
0.575 |
0 |
0 |
0 |
0.000 |
58 |
|
B |
15 |
2 |
11802 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
12302 |
83.0 |
-0.5 |
0.548 |
0 |
0 |
0 |
0.000 |
| Average: |
100.7 |
-0.3 |
0.576 |
0 |
0 |
0 |
0.000 |
| 9 |
59 |
|
L |
18 |
7 |
11498 |
◊ |
D |
x,y,z |
1_555 |
10 |
1 |
11653 |
119.0 |
-0.4 |
0.585 |
1 |
0 |
0 |
0.000 |
60 |
|
J |
1 |
1 |
11522 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
11451 |
2.2 |
-0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
| Average: |
60.6 |
-0.2 |
0.584 |
1 |
0 |
0 |
0.000 |
| 10 |
61 |
|
N |
13 |
4 |
12479 |
◊ |
A |
x-1,y,z |
1_455 |
12 |
4 |
12302 |
117.9 |
-3.1 |
0.174 |
0 |
0 |
0 |
0.015 |
62 |
|
O |
1 |
1 |
12026 |
◊ |
F |
x-1,y,z |
1_455 |
1 |
1 |
11899 |
6.3 |
-0.0 |
0.520 |
0 |
0 |
0 |
0.015 |
63 |
|
G |
2 |
2 |
11964 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
2 |
12207 |
4.6 |
-0.0 |
0.616 |
0 |
0 |
0 |
0.015 |
64 |
|
P |
2 |
2 |
11904 |
◊ |
E |
x-1,y,z |
1_455 |
2 |
2 |
11910 |
4.0 |
-0.0 |
0.619 |
0 |
0 |
0 |
0.015 |
| Average: |
33.2 |
-0.8 |
0.482 |
0 |
0 |
0 |
0.015 |
| 11 |
65 |
|
M |
16 |
4 |
11377 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
11802 |
106.1 |
-0.3 |
0.560 |
0 |
0 |
0 |
0.000 |
66 |
|
K |
11 |
3 |
11686 |
◊ |
I |
x,y,z |
1_555 |
10 |
3 |
11644 |
74.5 |
-0.1 |
0.560 |
0 |
0 |
0 |
0.000 |
| Average: |
90.3 |
-0.2 |
0.560 |
0 |
0 |
0 |
0.000 |
| 12 |
67 |
|
K |
15 |
5 |
11686 |
◊ |
B |
x,y,z |
1_555 |
9 |
6 |
11802 |
103.9 |
0.3 |
0.635 |
1 |
0 |
0 |
0.000 |
| 13 |
68 |
|
P |
10 |
3 |
11904 |
◊ |
J |
x,y,z |
1_555 |
8 |
4 |
11522 |
87.1 |
-1.9 |
0.271 |
0 |
0 |
0 |
0.000 |
69 |
|
H |
7 |
3 |
11451 |
◊ |
C |
x,y,z-1 |
1_554 |
8 |
3 |
12207 |
81.0 |
-1.9 |
0.218 |
0 |
0 |
0 |
0.000 |
70 |
|
E |
8 |
3 |
11910 |
◊ |
C |
-x+3,y-1/2,-z+2 |
2_847 |
7 |
3 |
12207 |
74.7 |
-1.9 |
0.238 |
0 |
0 |
0 |
0.000 |
71 |
|
N |
6 |
3 |
12479 |
◊ |
O |
-x+2,y-1/2,-z+2 |
2_747 |
7 |
2 |
12026 |
73.6 |
-1.9 |
0.197 |
0 |
0 |
0 |
0.000 |
72 |
|
J |
6 |
2 |
11522 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
7 |
3 |
11653 |
64.7 |
-1.3 |
0.294 |
0 |
0 |
0 |
0.000 |
73 |
|
L |
5 |
3 |
11498 |
◊ |
I |
-x+3,y-1/2,-z+1 |
2_846 |
9 |
3 |
11644 |
58.7 |
-0.9 |
0.405 |
0 |
0 |
0 |
0.000 |
74 |
|
M |
5 |
2 |
11377 |
◊ |
O |
x,y,z-1 |
1_554 |
6 |
3 |
12026 |
49.3 |
-1.2 |
0.312 |
0 |
0 |
0 |
0.000 |
75 |
|
L |
4 |
2 |
11498 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
12302 |
45.5 |
-1.1 |
0.281 |
0 |
0 |
0 |
0.000 |
| Average: |
66.8 |
-1.5 |
0.277 |
0 |
0 |
0 |
0.000 |
| 14 |
76 |
|
H |
9 |
3 |
11451 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
11653 |
80.7 |
-1.6 |
0.319 |
0 |
0 |
0 |
0.000 |
| 15 |
77 |
|
N |
8 |
3 |
12479 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
11899 |
79.0 |
0.5 |
0.709 |
0 |
0 |
0 |
0.000 |
78 |
|
J |
8 |
4 |
11522 |
◊ |
I |
x-1,y,z |
1_455 |
9 |
4 |
11644 |
74.0 |
-0.5 |
0.516 |
0 |
3 |
0 |
0.000 |
79 |
|
K |
10 |
3 |
11686 |
◊ |
H |
x-1,y,z |
1_455 |
9 |
3 |
11451 |
71.9 |
0.2 |
0.655 |
0 |
0 |
0 |
0.000 |
80 |
|
P |
5 |
2 |
11904 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
12207 |
49.9 |
0.5 |
0.728 |
0 |
0 |
0 |
0.000 |
| Average: |
68.7 |
0.2 |
0.652 |
0 |
1 |
0 |
0.000 |
| 16 |
81 |
|
O |
9 |
2 |
12026 |
◊ |
P |
-x+2,y-1/2,-z+2 |
2_747 |
9 |
4 |
11904 |
73.0 |
1.7 |
0.832 |
1 |
0 |
0 |
0.000 |
82 |
|
I |
11 |
4 |
11644 |
◊ |
C |
x,y,z |
1_555 |
8 |
1 |
12207 |
69.2 |
1.9 |
0.841 |
1 |
0 |
0 |
0.000 |
83 |
|
K |
11 |
4 |
11686 |
◊ |
P |
x,y,z-1 |
1_554 |
7 |
1 |
11904 |
68.8 |
1.8 |
0.836 |
0 |
0 |
0 |
0.000 |
84 |
|
M |
9 |
3 |
11377 |
◊ |
J |
-x+2,y-1/2,-z+1 |
2_746 |
6 |
1 |
11522 |
66.8 |
1.9 |
0.852 |
1 |
0 |
0 |
0.000 |
85 |
|
F |
9 |
3 |
11899 |
◊ |
E |
-x+3,y-1/2,-z+2 |
2_847 |
6 |
1 |
11910 |
66.2 |
1.7 |
0.841 |
0 |
0 |
0 |
0.000 |
86 |
|
L |
6 |
1 |
11498 |
◊ |
E |
x,y,z-1 |
1_554 |
10 |
3 |
11910 |
65.4 |
1.8 |
0.844 |
1 |
0 |
0 |
0.000 |
87 |
|
I |
6 |
1 |
11644 |
◊ |
B |
-x+3,y-1/2,-z+1 |
2_846 |
8 |
3 |
11802 |
64.3 |
1.8 |
0.851 |
0 |
0 |
0 |
0.000 |
88 |
|
M |
6 |
1 |
11377 |
◊ |
G |
x,y,z |
1_555 |
9 |
4 |
11964 |
62.0 |
1.8 |
0.847 |
1 |
0 |
0 |
0.000 |
| Average: |
67.0 |
1.8 |
0.843 |
1 |
0 |
0 |
0.000 |
| 17 |
89 |
|
O |
2 |
1 |
12026 |
x |
O |
-x+2,y-1/2,-z+2 |
2_747 |
3 |
2 |
12026 |
22.1 |
0.4 |
0.658 |
0 |
0 |
0 |
0.000 |
90 |
|
I |
2 |
1 |
11644 |
x |
I |
-x+3,y-1/2,-z+1 |
2_846 |
2 |
2 |
11644 |
8.7 |
0.1 |
0.609 |
0 |
0 |
0 |
0.000 |
91 |
|
P |
1 |
1 |
11904 |
x |
M |
x,y,z |
1_555 |
1 |
1 |
11377 |
4.4 |
0.2 |
0.806 |
0 |
0 |
0 |
0.000 |
92 |
|
E |
1 |
1 |
11910 |
x |
E |
-x+3,y-1/2,-z+2 |
2_847 |
1 |
1 |
11910 |
2.8 |
0.1 |
0.776 |
0 |
0 |
0 |
0.000 |
93 |
|
J |
1 |
1 |
11522 |
x |
J |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
11522 |
2.7 |
0.1 |
0.774 |
0 |
0 |
0 |
0.000 |
94 |
|
L |
1 |
1 |
11498 |
x |
C |
x,y,z-1 |
1_554 |
1 |
1 |
12207 |
2.3 |
0.1 |
0.768 |
0 |
0 |
0 |
0.000 |
| Average: |
7.2 |
0.2 |
0.732 |
0 |
0 |
0 |
0.000 |
| 18 |
95 |
|
P |
2 |
1 |
11904 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12302 |
7.9 |
-0.0 |
0.602 |
0 |
0 |
0 |
0.000 |
96 |
|
G |
1 |
1 |
11964 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
11899 |
4.2 |
-0.0 |
0.557 |
0 |
0 |
0 |
0.000 |
| Average: |
6.1 |
-0.0 |
0.580 |
0 |
0 |
0 |
0.000 |
|