| ## |
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 |
|
O |
93 |
26 |
4496 |
◊ |
O |
-x-2,y,-z-1 |
2_354 |
93 |
26 |
4496 |
944.0 |
-9.3 |
0.366 |
12 |
4 |
0 |
1.000 |
2 |
|
N |
97 |
25 |
4408 |
◊ |
M |
-x-2,y,-z-1 |
2_354 |
91 |
25 |
4351 |
925.2 |
-10.5 |
0.325 |
14 |
4 |
0 |
1.000 |
3 |
|
J |
92 |
23 |
4401 |
◊ |
G |
x,y,z |
1_555 |
93 |
24 |
4637 |
899.3 |
-9.5 |
0.310 |
14 |
3 |
0 |
1.000 |
4 |
|
D |
91 |
23 |
4465 |
◊ |
A |
x,y,z |
1_555 |
89 |
23 |
4357 |
882.1 |
-13.4 |
0.198 |
11 |
3 |
0 |
1.000 |
5 |
|
L |
94 |
24 |
4399 |
◊ |
I |
x,y,z |
1_555 |
88 |
23 |
4316 |
871.1 |
-11.0 |
0.276 |
10 |
2 |
0 |
1.000 |
6 |
|
K |
90 |
22 |
4346 |
◊ |
H |
x,y,z |
1_555 |
89 |
23 |
4686 |
852.4 |
-10.1 |
0.253 |
8 |
1 |
0 |
1.000 |
7 |
|
F |
89 |
24 |
4352 |
◊ |
E |
x,y,z |
1_555 |
86 |
23 |
4447 |
850.7 |
-14.4 |
0.152 |
7 |
2 |
0 |
1.000 |
8 |
|
C |
88 |
23 |
4349 |
◊ |
B |
x,y,z |
1_555 |
84 |
22 |
4447 |
832.3 |
-13.4 |
0.161 |
9 |
2 |
0 |
1.000 |
| Average: |
882.1 |
-11.5 |
0.255 |
11 |
3 |
0 |
1.000 |
| 2 |
9 |
|
H |
72 |
16 |
4686 |
◊ |
G |
x,y,z |
1_555 |
57 |
14 |
4637 |
571.4 |
-4.8 |
0.351 |
6 |
6 |
0 |
1.000 |
10 |
|
I |
70 |
16 |
4316 |
◊ |
H |
x,y,z |
1_555 |
57 |
14 |
4686 |
565.5 |
-5.1 |
0.417 |
6 |
5 |
0 |
1.000 |
11 |
|
L |
70 |
17 |
4399 |
◊ |
J |
x,y,z |
1_555 |
54 |
13 |
4401 |
555.5 |
-6.0 |
0.368 |
7 |
4 |
0 |
1.000 |
12 |
|
K |
55 |
13 |
4346 |
◊ |
J |
x,y,z |
1_555 |
71 |
17 |
4401 |
550.2 |
-5.7 |
0.445 |
6 |
4 |
0 |
1.000 |
13 |
|
B |
71 |
16 |
4447 |
◊ |
A |
x,y,z |
1_555 |
53 |
13 |
4357 |
550.2 |
-6.0 |
0.394 |
6 |
4 |
0 |
1.000 |
14 |
|
F |
72 |
16 |
4352 |
◊ |
B |
x,y,z |
1_555 |
55 |
13 |
4447 |
549.9 |
-6.7 |
0.377 |
4 |
1 |
0 |
1.000 |
15 |
|
O |
55 |
13 |
4496 |
◊ |
N |
x,y,z |
1_555 |
65 |
16 |
4408 |
545.7 |
-5.3 |
0.365 |
7 |
5 |
0 |
1.000 |
16 |
|
E |
69 |
17 |
4447 |
◊ |
D |
x,y,z |
1_555 |
53 |
14 |
4465 |
543.8 |
-6.5 |
0.390 |
5 |
3 |
0 |
1.000 |
17 |
|
F |
52 |
13 |
4352 |
◊ |
A |
x,y,z |
1_555 |
68 |
17 |
4357 |
543.1 |
-6.4 |
0.380 |
4 |
3 |
0 |
1.000 |
18 |
|
E |
51 |
13 |
4447 |
◊ |
C |
x,y,z |
1_555 |
71 |
17 |
4349 |
538.9 |
-6.9 |
0.324 |
4 |
1 |
0 |
1.000 |
19 |
|
I |
53 |
13 |
4316 |
◊ |
G |
x,y,z |
1_555 |
67 |
17 |
4637 |
534.5 |
-5.7 |
0.350 |
7 |
4 |
0 |
1.000 |
20 |
|
D |
72 |
17 |
4465 |
◊ |
C |
x,y,z |
1_555 |
51 |
13 |
4349 |
534.4 |
-6.4 |
0.301 |
4 |
1 |
0 |
1.000 |
21 |
|
O |
68 |
16 |
4496 |
◊ |
M |
x,y,z |
1_555 |
48 |
13 |
4351 |
520.0 |
-6.1 |
0.304 |
4 |
1 |
0 |
1.000 |
22 |
|
N |
48 |
13 |
4408 |
◊ |
M |
x,y,z |
1_555 |
68 |
16 |
4351 |
514.3 |
-6.6 |
0.284 |
4 |
1 |
0 |
1.000 |
23 |
|
L |
49 |
13 |
4399 |
◊ |
K |
x,y,z |
1_555 |
64 |
17 |
4346 |
513.2 |
-6.9 |
0.248 |
4 |
1 |
0 |
1.000 |
| Average: |
542.0 |
-6.1 |
0.353 |
5 |
3 |
0 |
1.000 |
| 3 |
24 |
|
F |
29 |
8 |
4352 |
◊ |
F |
-x-1,y,-z |
2_455 |
29 |
8 |
4352 |
282.3 |
-0.8 |
0.705 |
0 |
6 |
0 |
0.000 |
| 4 |
25 |
|
H |
24 |
8 |
4686 |
◊ |
A |
x,y,z |
1_555 |
27 |
9 |
4357 |
224.8 |
2.4 |
0.854 |
7 |
8 |
0 |
0.000 |
26 |
|
E |
23 |
8 |
4447 |
◊ |
D |
-x,y,-z |
2_555 |
24 |
8 |
4465 |
217.6 |
2.4 |
0.902 |
7 |
9 |
0 |
0.000 |
27 |
|
I |
21 |
7 |
4316 |
◊ |
F |
x,y,z |
1_555 |
22 |
8 |
4352 |
216.9 |
1.9 |
0.884 |
6 |
6 |
0 |
0.000 |
28 |
|
C |
22 |
8 |
4349 |
◊ |
C |
-x,y,-z |
2_555 |
22 |
8 |
4349 |
210.7 |
1.6 |
0.857 |
8 |
8 |
0 |
0.000 |
29 |
|
G |
21 |
8 |
4637 |
◊ |
B |
x,y,z |
1_555 |
25 |
9 |
4447 |
195.7 |
0.3 |
0.685 |
2 |
2 |
0 |
0.000 |
30 |
|
M |
21 |
8 |
4351 |
◊ |
K |
x,y,z |
1_555 |
19 |
6 |
4346 |
172.2 |
0.2 |
0.733 |
3 |
1 |
0 |
0.000 |
31 |
|
N |
20 |
8 |
4408 |
◊ |
J |
x,y,z |
1_555 |
19 |
7 |
4401 |
161.3 |
-0.6 |
0.652 |
2 |
0 |
0 |
0.000 |
32 |
|
O |
19 |
7 |
4496 |
◊ |
L |
x,y,z |
1_555 |
16 |
6 |
4399 |
161.2 |
-0.8 |
0.592 |
2 |
0 |
0 |
0.000 |
| Average: |
195.1 |
0.9 |
0.770 |
5 |
4 |
0 |
0.000 |
| 5 |
33 |
|
J |
19 |
5 |
4401 |
◊ |
H |
x-1/2,y+1/2,z |
3_455 |
22 |
4 |
4686 |
179.1 |
2.3 |
0.852 |
5 |
9 |
0 |
0.000 |
34 |
|
L |
13 |
4 |
4399 |
◊ |
G |
x-1/2,y-1/2,z |
3_445 |
15 |
3 |
4637 |
144.2 |
2.6 |
0.880 |
4 |
8 |
0 |
0.000 |
| Average: |
161.7 |
2.5 |
0.866 |
5 |
9 |
0 |
0.000 |
| 6 |
35 |
|
O |
16 |
5 |
4496 |
◊ |
N |
-x-2,y,-z-1 |
2_354 |
15 |
5 |
4408 |
165.2 |
-1.4 |
0.441 |
0 |
0 |
0 |
0.047 |
36 |
|
M |
16 |
5 |
4351 |
◊ |
M |
-x-2,y,-z-1 |
2_354 |
16 |
5 |
4351 |
162.0 |
-1.7 |
0.424 |
0 |
0 |
0 |
0.047 |
37 |
|
E |
16 |
5 |
4447 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
4357 |
158.7 |
-1.5 |
0.434 |
0 |
0 |
0 |
0.047 |
38 |
|
F |
16 |
5 |
4352 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
4349 |
158.5 |
-1.9 |
0.384 |
0 |
0 |
0 |
0.047 |
39 |
|
K |
11 |
3 |
4346 |
◊ |
I |
x,y,z |
1_555 |
16 |
5 |
4316 |
157.7 |
-1.5 |
0.425 |
0 |
0 |
0 |
0.047 |
40 |
|
J |
11 |
3 |
4401 |
◊ |
H |
x,y,z |
1_555 |
15 |
4 |
4686 |
147.1 |
-1.6 |
0.361 |
0 |
0 |
0 |
0.047 |
41 |
|
D |
13 |
4 |
4465 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
4447 |
146.8 |
-1.8 |
0.381 |
0 |
0 |
0 |
0.047 |
42 |
|
L |
14 |
4 |
4399 |
◊ |
G |
x,y,z |
1_555 |
12 |
3 |
4637 |
146.0 |
-1.8 |
0.328 |
0 |
0 |
0 |
0.047 |
| Average: |
155.3 |
-1.6 |
0.397 |
0 |
0 |
0 |
0.047 |
| 7 |
43 |
|
O |
16 |
6 |
4496 |
◊ |
M |
-x-3/2,y-1/2,-z-1 |
4_344 |
16 |
5 |
4351 |
156.8 |
-0.1 |
0.671 |
0 |
2 |
0 |
0.000 |
| 8 |
44 |
|
C |
16 |
3 |
4349 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
19 |
5 |
4357 |
151.1 |
-0.8 |
0.606 |
1 |
1 |
0 |
0.000 |
45 |
|
E |
17 |
3 |
4447 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
19 |
5 |
4447 |
149.9 |
-0.9 |
0.603 |
2 |
2 |
0 |
0.000 |
| Average: |
150.5 |
-0.8 |
0.604 |
2 |
2 |
0 |
0.000 |
| 9 |
46 |
|
N |
16 |
8 |
4408 |
◊ |
K |
x-1,y,z |
1_455 |
16 |
6 |
4346 |
135.6 |
-0.0 |
0.562 |
2 |
0 |
0 |
0.000 |
| 10 |
47 |
|
G |
11 |
3 |
4637 |
◊ |
H |
x-1/2,y+1/2,z |
3_455 |
17 |
5 |
4686 |
133.6 |
0.8 |
0.717 |
1 |
1 |
0 |
0.000 |
48 |
|
I |
8 |
3 |
4316 |
◊ |
G |
x-1/2,y-1/2,z |
3_445 |
12 |
4 |
4637 |
82.8 |
0.3 |
0.606 |
0 |
0 |
0 |
0.000 |
| Average: |
108.2 |
0.6 |
0.662 |
1 |
1 |
0 |
0.000 |
| 11 |
49 |
|
[NCO]F:101 |
5 |
1 |
266 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
14 |
3 |
4447 |
97.6 |
1.8 |
0.400 |
5 |
0 |
0 |
0.000 |
| 12 |
50 |
|
[NCO]B:101 |
4 |
1 |
268 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
4447 |
81.7 |
1.6 |
0.518 |
6 |
0 |
0 |
0.000 |
| 13 |
51 |
|
N |
10 |
4 |
4408 |
◊ |
H |
x-1,y,z |
1_455 |
11 |
3 |
4686 |
81.4 |
0.5 |
0.719 |
0 |
0 |
0 |
0.000 |
| 14 |
52 |
|
[NCO]B:101 |
4 |
1 |
268 |
f |
A |
x-1/2,y+1/2,z |
3_455 |
13 |
3 |
4357 |
79.6 |
0.5 |
0.223 |
4 |
0 |
0 |
0.100 |
| 15 |
53 |
|
[NCO]F:101 |
4 |
1 |
266 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
4352 |
77.2 |
1.2 |
0.448 |
6 |
0 |
0 |
0.100 |
| 16 |
54 |
|
O |
9 |
3 |
4496 |
◊ |
K |
x-1,y,z |
1_455 |
12 |
4 |
4346 |
74.1 |
0.5 |
0.707 |
0 |
0 |
0 |
0.000 |
| 17 |
55 |
|
F |
8 |
3 |
4352 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
8 |
3 |
4447 |
64.0 |
1.4 |
0.861 |
0 |
0 |
0 |
0.000 |
56 |
|
B |
4 |
2 |
4447 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
4 |
3 |
4357 |
23.3 |
0.2 |
0.707 |
0 |
0 |
0 |
0.000 |
| Average: |
43.6 |
0.8 |
0.784 |
0 |
0 |
0 |
0.000 |
| 18 |
57 |
|
G |
4 |
1 |
4637 |
◊ |
D |
x-1,y,z |
1_455 |
9 |
2 |
4465 |
47.2 |
-0.8 |
0.373 |
0 |
0 |
0 |
0.000 |
| 19 |
58 |
|
M |
7 |
2 |
4351 |
x |
M |
-x-3/2,y-1/2,-z-1 |
4_344 |
2 |
2 |
4351 |
46.8 |
-0.8 |
0.225 |
0 |
0 |
0 |
0.000 |
59 |
|
O |
2 |
2 |
4496 |
x |
N |
-x-3/2,y-1/2,-z-1 |
4_344 |
7 |
2 |
4408 |
28.3 |
-0.6 |
0.331 |
0 |
0 |
0 |
0.000 |
| Average: |
37.6 |
-0.7 |
0.278 |
0 |
0 |
0 |
0.000 |
| 20 |
60 |
|
N |
5 |
2 |
4408 |
◊ |
N |
-x-3,y,-z-1 |
2_254 |
5 |
2 |
4408 |
41.0 |
0.2 |
0.708 |
0 |
0 |
0 |
0.000 |
| 21 |
61 |
|
O |
5 |
3 |
4496 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
4401 |
37.0 |
0.2 |
0.546 |
0 |
0 |
0 |
0.000 |
62 |
|
N |
3 |
3 |
4408 |
◊ |
K |
x,y,z |
1_555 |
5 |
2 |
4346 |
17.3 |
0.2 |
0.579 |
0 |
0 |
0 |
0.000 |
63 |
|
D |
4 |
2 |
4465 |
◊ |
D |
-x,y,-z |
2_555 |
4 |
2 |
4465 |
16.1 |
0.0 |
0.670 |
0 |
0 |
0 |
0.000 |
64 |
|
H |
3 |
3 |
4686 |
◊ |
F |
x,y,z |
1_555 |
3 |
3 |
4352 |
14.0 |
-0.2 |
0.537 |
0 |
0 |
0 |
0.000 |
65 |
|
G |
3 |
2 |
4637 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
4357 |
11.4 |
-0.1 |
0.586 |
0 |
0 |
0 |
0.000 |
66 |
|
M |
1 |
1 |
4351 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
4399 |
7.5 |
-0.1 |
0.469 |
0 |
0 |
0 |
0.000 |
67 |
|
I |
4 |
3 |
4316 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
4447 |
4.3 |
-0.0 |
0.646 |
0 |
0 |
0 |
0.000 |
68 |
|
E |
3 |
1 |
4447 |
◊ |
C |
-x,y,-z |
2_555 |
1 |
1 |
4349 |
3.4 |
-0.0 |
0.574 |
0 |
0 |
0 |
0.000 |
| Average: |
13.9 |
-0.0 |
0.576 |
0 |
0 |
0 |
0.000 |
| 22 |
69 |
|
D |
4 |
2 |
4465 |
◊ |
E |
-x-1/2,y-1/2,-z |
4_445 |
5 |
2 |
4447 |
34.2 |
0.7 |
0.807 |
1 |
1 |
0 |
0.000 |
| 23 |
70 |
|
M |
5 |
3 |
4351 |
◊ |
N |
-x-3/2,y-1/2,-z-1 |
4_344 |
3 |
1 |
4408 |
34.0 |
0.5 |
0.778 |
0 |
0 |
0 |
0.000 |
| 24 |
71 |
|
O |
3 |
1 |
4496 |
◊ |
H |
x-1,y,z |
1_455 |
3 |
1 |
4686 |
30.5 |
1.1 |
0.836 |
1 |
2 |
0 |
0.000 |
| 25 |
72 |
|
I |
4 |
1 |
4316 |
◊ |
D |
x-1,y,z |
1_455 |
6 |
3 |
4465 |
29.2 |
-0.7 |
0.442 |
0 |
0 |
0 |
0.000 |
| 26 |
73 |
|
[NCO]B:101 |
2 |
1 |
268 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
4349 |
24.3 |
1.0 |
0.482 |
0 |
0 |
0 |
0.000 |
| 27 |
74 |
|
[NCO]F:101 |
2 |
1 |
266 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
4447 |
23.5 |
1.2 |
0.488 |
0 |
0 |
0 |
0.000 |
| 28 |
75 |
|
E |
9 |
4 |
4447 |
◊ |
C |
-x-1/2,y-1/2,-z |
4_445 |
7 |
3 |
4349 |
21.5 |
0.1 |
0.683 |
0 |
0 |
0 |
0.000 |
| 29 |
76 |
|
L |
4 |
2 |
4399 |
◊ |
H |
x-1/2,y-1/2,z |
3_445 |
3 |
1 |
4686 |
20.1 |
-0.3 |
0.523 |
0 |
0 |
0 |
0.000 |
77 |
|
J |
3 |
1 |
4401 |
◊ |
I |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
4316 |
20.0 |
-0.5 |
0.368 |
0 |
0 |
0 |
0.000 |
| Average: |
20.0 |
-0.4 |
0.445 |
0 |
0 |
0 |
0.000 |
| 30 |
78 |
|
J |
1 |
1 |
4401 |
◊ |
F |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
4352 |
12.7 |
0.3 |
0.794 |
0 |
0 |
0 |
0.000 |
79 |
|
L |
1 |
1 |
4399 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
2 |
1 |
4357 |
10.2 |
0.3 |
0.765 |
0 |
0 |
0 |
0.000 |
| Average: |
11.5 |
0.3 |
0.779 |
0 |
0 |
0 |
0.000 |
| 31 |
80 |
|
J |
3 |
1 |
4401 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
2 |
2 |
4357 |
11.7 |
0.2 |
0.714 |
0 |
0 |
0 |
0.000 |
81 |
|
L |
3 |
1 |
4399 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
2 |
2 |
4447 |
9.5 |
0.3 |
0.746 |
0 |
0 |
0 |
0.000 |
| Average: |
10.6 |
0.2 |
0.730 |
0 |
0 |
0 |
0.000 |
| 32 |
82 |
|
N |
1 |
1 |
4408 |
◊ |
M |
x-1,y,z |
1_455 |
2 |
2 |
4351 |
7.1 |
0.2 |
0.757 |
0 |
0 |
0 |
0.000 |
| 33 |
83 |
|
D |
1 |
1 |
4465 |
◊ |
C |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
4349 |
3.5 |
0.1 |
0.631 |
0 |
0 |
0 |
0.000 |
| 34 |
84 |
|
L |
1 |
1 |
4399 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
4357 |
2.6 |
-0.0 |
0.601 |
0 |
0 |
0 |
0.000 |
| 35 |
85 |
|
B |
1 |
1 |
4447 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
4465 |
2.3 |
-0.1 |
0.517 |
0 |
0 |
0 |
0.000 |
| 36 |
86 |
|
L |
1 |
1 |
4399 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
4465 |
2.3 |
-0.1 |
0.535 |
0 |
0 |
0 |
0.000 |
| 37 |
87 |
|
F |
1 |
1 |
4352 |
◊ |
[NCO]B:101 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
268 |
1.9 |
0.1 |
0.595 |
0 |
0 |
0 |
0.000 |
| 38 |
88 |
|
G |
2 |
2 |
4637 |
◊ |
I |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
4316 |
1.9 |
-0.0 |
0.580 |
0 |
0 |
0 |
0.000 |
|