| ## |
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 |
182 |
19 |
4430 |
◊ |
C |
x,y,z |
1_555 |
212 |
65 |
32145 |
1751.4 |
-34.1 |
0.782 |
27 |
0 |
0 |
1.000 |
2 |
|
H |
183 |
19 |
4420 |
◊ |
G |
x,y,z |
1_555 |
196 |
64 |
31367 |
1742.1 |
-33.9 |
0.790 |
27 |
0 |
0 |
1.000 |
3 |
|
J |
179 |
19 |
4427 |
◊ |
I |
x,y,z |
1_555 |
204 |
65 |
31789 |
1741.4 |
-32.7 |
0.804 |
27 |
0 |
0 |
1.000 |
4 |
|
L |
179 |
19 |
4420 |
◊ |
K |
x,y,z |
1_555 |
204 |
66 |
31625 |
1734.8 |
-36.6 |
0.714 |
28 |
0 |
0 |
1.000 |
5 |
|
B |
181 |
19 |
4410 |
◊ |
A |
x,y,z |
1_555 |
196 |
64 |
31940 |
1674.4 |
-34.5 |
0.775 |
23 |
0 |
0 |
1.000 |
6 |
|
F |
173 |
19 |
4421 |
◊ |
E |
x,y,z |
1_555 |
190 |
63 |
31509 |
1644.5 |
-35.6 |
0.726 |
21 |
0 |
0 |
1.000 |
| Average: |
1714.8 |
-34.6 |
0.765 |
26 |
0 |
0 |
1.000 |
| 2 |
7 |
|
C |
140 |
36 |
32145 |
◊ |
I |
x-1,y,z |
1_455 |
138 |
36 |
31789 |
1443.1 |
-2.7 |
0.763 |
15 |
9 |
0 |
0.000 |
8 |
|
K |
135 |
35 |
31625 |
◊ |
G |
x-1/2,-y-1/2,-z |
4_445 |
133 |
35 |
31367 |
1403.0 |
-3.1 |
0.740 |
14 |
9 |
0 |
0.000 |
9 |
|
E |
133 |
35 |
31509 |
◊ |
A |
x,y,z |
1_555 |
135 |
33 |
31940 |
1386.5 |
-4.5 |
0.679 |
14 |
9 |
0 |
0.000 |
| Average: |
1410.9 |
-3.5 |
0.727 |
14 |
9 |
0 |
0.000 |
| 3 |
10 |
|
C |
100 |
31 |
32145 |
◊ |
A |
x,y,z |
1_555 |
102 |
31 |
31940 |
1046.9 |
0.4 |
0.804 |
18 |
3 |
0 |
0.000 |
11 |
|
K |
94 |
28 |
31625 |
◊ |
G |
x,y,z |
1_555 |
91 |
30 |
31367 |
914.6 |
1.5 |
0.864 |
13 |
1 |
0 |
0.000 |
| Average: |
980.7 |
1.0 |
0.834 |
16 |
2 |
0 |
0.000 |
| 4 |
12 |
|
I |
91 |
31 |
31789 |
◊ |
E |
x,y,z |
1_555 |
88 |
26 |
31509 |
811.1 |
-0.2 |
0.829 |
11 |
2 |
0 |
0.000 |
| 5 |
13 |
|
G |
94 |
23 |
31367 |
◊ |
C |
x,y,z |
1_555 |
87 |
23 |
32145 |
802.5 |
-4.7 |
0.529 |
9 |
2 |
0 |
0.000 |
14 |
|
A |
85 |
20 |
31940 |
◊ |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
86 |
26 |
31789 |
758.3 |
-3.5 |
0.582 |
11 |
3 |
0 |
0.000 |
| Average: |
780.4 |
-4.1 |
0.555 |
10 |
3 |
0 |
0.000 |
| 6 |
15 |
|
K |
49 |
13 |
31625 |
◊ |
E |
-x-1,y-1/2,-z+1/2 |
3_445 |
51 |
14 |
31509 |
422.1 |
-6.5 |
0.216 |
0 |
0 |
0 |
0.000 |
| 7 |
16 |
|
K |
39 |
12 |
31625 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
34 |
13 |
31940 |
331.5 |
-2.5 |
0.441 |
2 |
0 |
0 |
0.000 |
17 |
|
G |
35 |
12 |
31367 |
◊ |
E |
-x-1/2,-y,z-1/2 |
2_454 |
39 |
13 |
31509 |
280.9 |
-2.6 |
0.466 |
1 |
0 |
0 |
0.000 |
| Average: |
306.2 |
-2.5 |
0.453 |
2 |
0 |
0 |
0.000 |
| 8 |
18 |
|
A |
36 |
9 |
31940 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
31 |
8 |
31789 |
280.9 |
-4.5 |
0.226 |
0 |
0 |
0 |
0.000 |
19 |
|
C |
28 |
7 |
32145 |
◊ |
G |
x-1,y,z |
1_455 |
31 |
7 |
31367 |
264.9 |
-4.2 |
0.216 |
0 |
0 |
0 |
0.000 |
| Average: |
272.9 |
-4.4 |
0.221 |
0 |
0 |
0 |
0.000 |
| 9 |
20 |
|
C |
24 |
8 |
32145 |
◊ |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
18 |
6 |
31789 |
172.2 |
-1.7 |
0.410 |
1 |
0 |
0 |
0.000 |
21 |
|
G |
15 |
4 |
31367 |
◊ |
A |
x,y,z |
1_555 |
21 |
9 |
31940 |
155.9 |
-1.4 |
0.413 |
1 |
0 |
0 |
0.000 |
| Average: |
164.1 |
-1.5 |
0.411 |
1 |
0 |
0 |
0.000 |
| 10 |
22 |
|
K |
15 |
4 |
31625 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
31940 |
163.7 |
-1.4 |
0.424 |
2 |
0 |
0 |
0.000 |
23 |
|
C |
15 |
4 |
32145 |
◊ |
E |
-x-1,y-1/2,-z+1/2 |
3_445 |
14 |
4 |
31509 |
154.5 |
-1.6 |
0.398 |
2 |
0 |
0 |
0.000 |
| Average: |
159.1 |
-1.5 |
0.411 |
2 |
0 |
0 |
0.000 |
| 11 |
24 |
|
K |
21 |
9 |
31625 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
32145 |
161.7 |
-1.4 |
0.423 |
1 |
0 |
0 |
0.000 |
25 |
|
A |
15 |
5 |
31940 |
◊ |
E |
-x-1,y-1/2,-z+1/2 |
3_445 |
22 |
8 |
31509 |
161.6 |
-1.8 |
0.365 |
1 |
0 |
0 |
0.000 |
| Average: |
161.6 |
-1.6 |
0.394 |
1 |
0 |
0 |
0.000 |
| 12 |
26 |
|
[BU3]I:1004 |
6 |
1 |
232 |
f |
I |
x,y,z |
1_555 |
27 |
13 |
31789 |
152.3 |
3.1 |
0.561 |
6 |
0 |
0 |
0.000 |
| 13 |
27 |
|
[BU3]G:1005 |
6 |
1 |
232 |
f |
G |
x,y,z |
1_555 |
26 |
10 |
31367 |
152.2 |
3.0 |
0.549 |
2 |
0 |
0 |
0.000 |
| 14 |
28 |
|
[BU3]G:1003 |
6 |
1 |
231 |
f |
G |
x,y,z |
1_555 |
29 |
13 |
31367 |
151.4 |
3.1 |
0.570 |
7 |
0 |
0 |
0.000 |
| 15 |
29 |
|
[BU3]E:1003 |
6 |
1 |
232 |
f |
E |
x,y,z |
1_555 |
26 |
11 |
31509 |
148.0 |
3.2 |
0.574 |
1 |
0 |
0 |
0.000 |
| 16 |
30 |
|
[BU3]C:1006 |
6 |
1 |
227 |
f |
C |
x,y,z |
1_555 |
29 |
12 |
32145 |
145.9 |
3.4 |
0.528 |
1 |
0 |
0 |
0.000 |
| 17 |
31 |
|
[BU3]K:1004 |
6 |
1 |
229 |
f |
K |
x,y,z |
1_555 |
22 |
11 |
31625 |
145.7 |
3.2 |
0.472 |
2 |
0 |
0 |
0.000 |
| 18 |
32 |
|
[BU3]E:1004 |
6 |
1 |
228 |
f |
E |
x,y,z |
1_555 |
24 |
11 |
31509 |
144.4 |
3.7 |
0.541 |
3 |
0 |
0 |
0.000 |
| 19 |
33 |
|
[BU3]A:1004 |
6 |
1 |
232 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
31940 |
141.3 |
2.3 |
0.439 |
1 |
0 |
0 |
0.000 |
| 20 |
34 |
|
[BU3]G:1004 |
6 |
1 |
232 |
◊ |
G |
x,y,z |
1_555 |
20 |
8 |
31367 |
138.3 |
3.4 |
0.536 |
2 |
0 |
0 |
0.000 |
| 21 |
35 |
|
[ETF]K:1003 |
6 |
1 |
207 |
f |
K |
x,y,z |
1_555 |
22 |
9 |
31625 |
137.2 |
3.6 |
0.520 |
1 |
0 |
0 |
0.000 |
| 22 |
36 |
|
[ETF]A:1003 |
6 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
24 |
12 |
31940 |
134.6 |
3.7 |
0.533 |
4 |
0 |
0 |
0.000 |
| 23 |
37 |
|
[BU3]C:1003 |
6 |
1 |
231 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
32145 |
133.4 |
2.3 |
0.450 |
6 |
0 |
0 |
0.007 |
| 24 |
38 |
|
[ETF]E:1002 |
6 |
1 |
207 |
◊ |
E |
x,y,z |
1_555 |
18 |
7 |
31509 |
126.6 |
4.1 |
0.497 |
5 |
0 |
0 |
0.000 |
| 25 |
39 |
|
[BU3]A:1005 |
6 |
1 |
232 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
31940 |
121.0 |
3.0 |
0.465 |
1 |
0 |
0 |
0.000 |
| 26 |
40 |
|
[BU3]C:1005 |
6 |
1 |
232 |
◊ |
D |
x,y,z |
1_555 |
20 |
5 |
4430 |
103.6 |
1.0 |
0.544 |
1 |
0 |
0 |
0.000 |
| 27 |
41 |
|
A |
12 |
2 |
31940 |
◊ |
G |
-x-1,y-1/2,-z+1/2 |
3_445 |
11 |
3 |
31367 |
98.3 |
-1.6 |
0.328 |
0 |
0 |
0 |
0.000 |
| 28 |
42 |
|
[BU3]C:1005 |
6 |
1 |
232 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
32145 |
98.0 |
0.3 |
0.349 |
1 |
0 |
0 |
0.002 |
| 29 |
43 |
|
[BU3]C:1004 |
6 |
1 |
228 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
31940 |
96.5 |
3.3 |
0.557 |
0 |
0 |
0 |
0.000 |
| 30 |
44 |
|
[BU3]C:1004 |
5 |
1 |
228 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
32145 |
92.2 |
1.0 |
0.395 |
3 |
0 |
0 |
0.007 |
| 31 |
45 |
|
[ETF]G:1002 |
6 |
1 |
209 |
f |
G |
x,y,z |
1_555 |
16 |
7 |
31367 |
86.8 |
2.3 |
0.204 |
6 |
0 |
0 |
0.008 |
| 32 |
46 |
|
[ETF]G:1002 |
6 |
1 |
209 |
◊ |
K |
x,y,z |
1_555 |
17 |
7 |
31625 |
83.3 |
2.4 |
0.316 |
2 |
0 |
0 |
0.000 |
| 33 |
47 |
|
E |
9 |
3 |
31509 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
31789 |
70.0 |
-1.4 |
0.168 |
0 |
0 |
0 |
0.000 |
48 |
|
A |
7 |
3 |
31940 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
2 |
32145 |
32.8 |
-0.4 |
0.526 |
0 |
0 |
0 |
0.000 |
49 |
|
I |
1 |
1 |
31789 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
31367 |
7.4 |
-0.0 |
0.456 |
0 |
0 |
0 |
0.000 |
| Average: |
36.8 |
-0.6 |
0.383 |
0 |
0 |
0 |
0.000 |
| 34 |
50 |
|
[MG]C:1002 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
32145 |
55.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.142 |
51 |
|
[MG]I:1002 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
17 |
6 |
31789 |
55.6 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.142 |
| Average: |
55.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.142 |
| 35 |
52 |
|
[BU3]C:1003 |
3 |
1 |
231 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
4430 |
47.8 |
0.3 |
0.475 |
0 |
0 |
0 |
0.000 |
| 36 |
53 |
|
[BU3]A:1004 |
4 |
1 |
232 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
4410 |
46.7 |
1.4 |
0.560 |
0 |
0 |
0 |
0.000 |
| 37 |
54 |
|
[MG]A:1002 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
4410 |
43.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.137 |
55 |
|
[MG]H:101 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
10 |
4 |
4420 |
42.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.137 |
56 |
|
[MG]I:1003 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
10 |
4 |
4427 |
41.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.137 |
57 |
|
[MG]K:1002 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
11 |
4 |
4420 |
40.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.137 |
| Average: |
41.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.137 |
| 38 |
58 |
|
[MG]K:1002 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
6 |
3 |
31625 |
39.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.081 |
59 |
|
[MG]I:1003 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
7 |
4 |
31789 |
32.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.081 |
60 |
|
[MG]A:1002 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
31940 |
32.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.081 |
61 |
|
[MG]H:101 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
6 |
4 |
31367 |
26.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.081 |
| Average: |
32.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.081 |
| 39 |
62 |
|
[BU3]G:1004 |
3 |
1 |
232 |
f |
H |
x,y,z |
1_555 |
4 |
1 |
4420 |
31.0 |
-0.8 |
0.317 |
1 |
0 |
0 |
0.024 |
| 40 |
63 |
|
K |
3 |
2 |
31625 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
4 |
31789 |
23.8 |
-0.7 |
0.325 |
0 |
0 |
0 |
0.000 |
| 41 |
64 |
|
B |
4 |
3 |
4410 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
5 |
2 |
32145 |
15.7 |
-0.5 |
0.612 |
0 |
0 |
0 |
0.000 |
| 42 |
65 |
|
G |
3 |
2 |
31367 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
31789 |
12.6 |
-0.0 |
0.618 |
0 |
0 |
0 |
0.000 |
| 43 |
66 |
|
[ETF]E:1002 |
2 |
1 |
207 |
f |
F |
x,y,z |
1_555 |
4 |
2 |
4421 |
11.6 |
0.1 |
0.223 |
0 |
0 |
0 |
0.000 |
| 44 |
67 |
|
[MG]I:1002 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
4427 |
9.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
68 |
|
[MG]C:1002 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
4430 |
7.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
8.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
| 45 |
69 |
|
G |
1 |
1 |
31367 |
◊ |
E |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
31509 |
0.3 |
-0.0 |
0.599 |
0 |
0 |
0 |
0.000 |
|