| ## |
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 |
186 |
46 |
11720 |
◊ |
A |
x,y,z |
1_555 |
196 |
45 |
12047 |
1877.9 |
-16.2 |
0.356 |
14 |
9 |
0 |
0.630 |
2 |
|
B |
192 |
49 |
11756 |
◊ |
A |
x,y,z |
1_555 |
182 |
49 |
12047 |
1809.7 |
-19.7 |
0.195 |
17 |
8 |
0 |
0.630 |
3 |
|
F |
188 |
46 |
11833 |
◊ |
E |
x,y,z |
1_555 |
183 |
46 |
11784 |
1801.1 |
-17.0 |
0.304 |
19 |
10 |
0 |
0.630 |
4 |
|
G |
179 |
47 |
11720 |
◊ |
F |
x,y,z |
1_555 |
185 |
50 |
11833 |
1787.1 |
-18.4 |
0.245 |
14 |
8 |
0 |
0.630 |
5 |
|
I |
180 |
47 |
11236 |
◊ |
H |
x,y,z |
1_555 |
183 |
41 |
11189 |
1787.1 |
-10.7 |
0.358 |
24 |
11 |
0 |
0.630 |
6 |
|
J |
185 |
45 |
11039 |
◊ |
I |
x,y,z |
1_555 |
181 |
42 |
11236 |
1763.7 |
-17.4 |
0.191 |
16 |
8 |
0 |
0.630 |
7 |
|
D |
173 |
46 |
11689 |
◊ |
C |
x,y,z |
1_555 |
192 |
50 |
11750 |
1753.4 |
-19.0 |
0.206 |
11 |
5 |
0 |
0.630 |
8 |
|
E |
165 |
41 |
11784 |
◊ |
D |
x,y,z |
1_555 |
178 |
47 |
11689 |
1718.2 |
-18.3 |
0.209 |
13 |
8 |
0 |
0.630 |
9 |
|
N |
169 |
46 |
10508 |
◊ |
M |
x,y,z |
1_555 |
169 |
39 |
10913 |
1680.3 |
-12.3 |
0.290 |
18 |
9 |
0 |
0.630 |
10 |
|
K |
175 |
42 |
10541 |
◊ |
J |
x,y,z |
1_555 |
169 |
40 |
11039 |
1658.3 |
-12.7 |
0.339 |
19 |
14 |
0 |
0.630 |
11 |
|
C |
174 |
43 |
11750 |
◊ |
B |
x,y,z |
1_555 |
162 |
45 |
11756 |
1616.2 |
-15.3 |
0.219 |
17 |
8 |
0 |
0.630 |
12 |
|
M |
172 |
40 |
10913 |
◊ |
L |
x,y,z |
1_555 |
160 |
40 |
11042 |
1572.4 |
-16.1 |
0.220 |
11 |
6 |
0 |
0.630 |
13 |
|
N |
141 |
35 |
10508 |
◊ |
H |
x,y,z |
1_555 |
138 |
39 |
11189 |
1381.2 |
-10.3 |
0.308 |
14 |
7 |
0 |
0.630 |
14 |
|
L |
138 |
36 |
11042 |
◊ |
K |
x,y,z |
1_555 |
141 |
35 |
10541 |
1348.3 |
-11.3 |
0.369 |
12 |
8 |
0 |
0.630 |
| Average: |
1682.5 |
-15.3 |
0.272 |
16 |
9 |
0 |
0.630 |
| 2 |
15 |
|
N |
84 |
21 |
10508 |
◊ |
G |
x,y,z |
1_555 |
86 |
22 |
11720 |
814.7 |
-7.1 |
0.403 |
19 |
0 |
0 |
0.345 |
16 |
|
J |
78 |
21 |
11039 |
◊ |
C |
x,y,z |
1_555 |
78 |
21 |
11750 |
771.2 |
-6.6 |
0.372 |
19 |
0 |
0 |
0.345 |
17 |
|
I |
80 |
21 |
11236 |
◊ |
B |
x,y,z |
1_555 |
77 |
21 |
11756 |
765.6 |
-7.1 |
0.349 |
17 |
0 |
0 |
0.345 |
18 |
|
K |
77 |
21 |
10541 |
◊ |
D |
x,y,z |
1_555 |
80 |
21 |
11689 |
755.0 |
-7.7 |
0.349 |
14 |
0 |
0 |
0.345 |
19 |
|
H |
77 |
21 |
11189 |
◊ |
A |
x,y,z |
1_555 |
81 |
21 |
12047 |
753.6 |
-6.7 |
0.349 |
18 |
0 |
0 |
0.345 |
20 |
|
M |
76 |
21 |
10913 |
◊ |
F |
x,y,z |
1_555 |
76 |
21 |
11833 |
746.2 |
-6.4 |
0.398 |
18 |
0 |
0 |
0.345 |
21 |
|
L |
73 |
21 |
11042 |
◊ |
E |
x,y,z |
1_555 |
75 |
21 |
11784 |
739.6 |
-7.5 |
0.324 |
18 |
0 |
0 |
0.345 |
| Average: |
763.7 |
-7.0 |
0.363 |
18 |
0 |
0 |
0.345 |
| 3 |
22 |
|
F |
40 |
12 |
11833 |
◊ |
G |
-x+1/2,y-1/2,-z |
4_545 |
50 |
13 |
11720 |
384.7 |
0.5 |
0.735 |
4 |
6 |
0 |
0.000 |
| 4 |
23 |
|
K |
24 |
10 |
10541 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
26 |
11 |
11756 |
207.3 |
1.7 |
0.821 |
2 |
2 |
0 |
0.000 |
| 5 |
24 |
|
N |
25 |
8 |
10508 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
24 |
6 |
11784 |
205.2 |
2.3 |
0.824 |
5 |
1 |
0 |
0.000 |
| 6 |
25 |
|
J |
22 |
7 |
11039 |
◊ |
I |
-x+1/2,y-1/2,-z+1 |
4_546 |
23 |
9 |
11236 |
202.5 |
-2.1 |
0.382 |
1 |
1 |
0 |
0.000 |
| 7 |
26 |
|
L |
20 |
4 |
11042 |
◊ |
G |
-x+1/2,y-1/2,-z |
4_545 |
19 |
7 |
11720 |
200.5 |
-1.6 |
0.475 |
2 |
1 |
0 |
0.000 |
| 8 |
27 |
|
[MPD]M:194 |
8 |
1 |
273 |
f |
M |
x,y,z |
1_555 |
43 |
15 |
10913 |
199.5 |
-13.9 |
0.563 |
1 |
0 |
0 |
0.332 |
| 9 |
28 |
|
[MPD]L:194 |
7 |
1 |
278 |
f |
L |
x,y,z |
1_555 |
37 |
14 |
11042 |
195.7 |
-14.0 |
0.567 |
0 |
0 |
0 |
0.313 |
| 10 |
29 |
|
[MPD]D:194 |
8 |
1 |
272 |
f |
D |
x,y,z |
1_555 |
37 |
14 |
11689 |
194.7 |
-14.6 |
0.511 |
1 |
0 |
0 |
0.340 |
| 11 |
30 |
|
I |
28 |
8 |
11236 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
17 |
7 |
11756 |
194.6 |
-0.5 |
0.604 |
2 |
0 |
0 |
0.000 |
| 12 |
31 |
|
[MPD]J:194 |
7 |
1 |
280 |
f |
J |
x,y,z |
1_555 |
37 |
13 |
11039 |
193.8 |
-14.2 |
0.527 |
3 |
0 |
0 |
0.342 |
| 13 |
32 |
|
[MPD]E:194 |
8 |
1 |
272 |
f |
E |
x,y,z |
1_555 |
35 |
13 |
11784 |
192.5 |
-14.5 |
0.485 |
2 |
0 |
0 |
0.658 |
33 |
|
[MPD]N:194 |
8 |
1 |
274 |
f |
N |
x,y,z |
1_555 |
36 |
13 |
10508 |
190.7 |
-13.8 |
0.554 |
2 |
0 |
0 |
0.658 |
34 |
|
[MPD]C:194 |
8 |
1 |
275 |
f |
C |
x,y,z |
1_555 |
35 |
13 |
11750 |
190.6 |
-13.9 |
0.533 |
2 |
0 |
0 |
0.658 |
35 |
|
[MPD]G:194 |
8 |
1 |
272 |
f |
G |
x,y,z |
1_555 |
34 |
12 |
11720 |
188.7 |
-14.4 |
0.493 |
2 |
0 |
0 |
0.658 |
36 |
|
[MPD]B:194 |
8 |
1 |
268 |
f |
B |
x,y,z |
1_555 |
35 |
13 |
11756 |
188.6 |
-14.2 |
0.501 |
2 |
0 |
0 |
0.658 |
| Average: |
190.2 |
-14.2 |
0.513 |
2 |
0 |
0 |
0.658 |
| 14 |
37 |
|
[MPD]H:194 |
8 |
1 |
273 |
f |
H |
x,y,z |
1_555 |
33 |
13 |
11189 |
190.9 |
-13.9 |
0.509 |
1 |
0 |
0 |
0.345 |
38 |
|
[MPD]K:194 |
8 |
1 |
273 |
f |
K |
x,y,z |
1_555 |
35 |
13 |
10541 |
189.6 |
-14.4 |
0.503 |
2 |
0 |
0 |
0.345 |
39 |
|
[MPD]I:194 |
8 |
1 |
273 |
f |
I |
x,y,z |
1_555 |
35 |
13 |
11236 |
188.5 |
-13.7 |
0.539 |
2 |
0 |
0 |
0.345 |
| Average: |
189.7 |
-14.0 |
0.517 |
2 |
0 |
0 |
0.345 |
| 15 |
40 |
|
[MPD]A:194 |
8 |
1 |
273 |
f |
A |
x,y,z |
1_555 |
37 |
14 |
12047 |
190.5 |
-13.8 |
0.563 |
2 |
0 |
0 |
0.337 |
41 |
|
[MPD]F:194 |
8 |
1 |
272 |
f |
F |
x,y,z |
1_555 |
34 |
13 |
11833 |
185.8 |
-13.7 |
0.564 |
2 |
0 |
0 |
0.337 |
| Average: |
188.1 |
-13.8 |
0.563 |
2 |
0 |
0 |
0.337 |
| 16 |
42 |
|
F |
23 |
9 |
11833 |
◊ |
M |
-x+1/2,y-1/2,-z |
4_545 |
19 |
9 |
10913 |
181.3 |
1.1 |
0.690 |
0 |
0 |
0 |
0.000 |
| 17 |
43 |
|
H |
17 |
6 |
11189 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
15 |
5 |
11689 |
136.2 |
0.9 |
0.763 |
3 |
2 |
0 |
0.000 |
| 18 |
44 |
|
J |
17 |
8 |
11039 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
12 |
4 |
11756 |
131.5 |
1.2 |
0.624 |
2 |
0 |
0 |
0.000 |
| 19 |
45 |
|
D |
13 |
6 |
11689 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
11756 |
129.4 |
1.9 |
0.778 |
3 |
2 |
0 |
0.002 |
46 |
|
K |
13 |
3 |
10541 |
◊ |
I |
x,y,z |
1_555 |
12 |
3 |
11236 |
106.4 |
-0.6 |
0.544 |
0 |
0 |
0 |
0.002 |
47 |
|
F |
10 |
3 |
11833 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
12047 |
61.6 |
0.9 |
0.771 |
0 |
1 |
0 |
0.002 |
48 |
|
N |
7 |
2 |
10508 |
◊ |
L |
x,y,z |
1_555 |
7 |
2 |
11042 |
44.2 |
-0.2 |
0.595 |
0 |
0 |
0 |
0.002 |
49 |
|
J |
8 |
4 |
11039 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
11189 |
40.0 |
0.3 |
0.692 |
0 |
0 |
0 |
0.002 |
50 |
|
E |
4 |
3 |
11784 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
11750 |
26.7 |
-0.7 |
0.400 |
0 |
0 |
0 |
0.002 |
51 |
|
F |
3 |
1 |
11833 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
11689 |
26.0 |
-0.6 |
0.381 |
0 |
0 |
0 |
0.002 |
52 |
|
M |
1 |
1 |
10913 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
11189 |
1.8 |
0.1 |
0.763 |
0 |
0 |
0 |
0.002 |
| Average: |
54.5 |
0.1 |
0.616 |
0 |
0 |
0 |
0.002 |
| 20 |
53 |
|
E |
11 |
3 |
11784 |
◊ |
A |
x,y-1,z |
1_545 |
11 |
4 |
12047 |
123.4 |
0.6 |
0.757 |
3 |
4 |
0 |
0.000 |
| 21 |
54 |
|
L |
10 |
3 |
11042 |
◊ |
F |
x,y,z |
1_555 |
10 |
3 |
11833 |
114.5 |
3.2 |
0.937 |
4 |
3 |
0 |
0.000 |
55 |
|
N |
9 |
3 |
10508 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
12047 |
110.8 |
2.8 |
0.933 |
5 |
2 |
0 |
0.000 |
56 |
|
M |
10 |
3 |
10913 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
11720 |
110.5 |
2.5 |
0.914 |
6 |
2 |
0 |
0.000 |
57 |
|
I |
9 |
3 |
11236 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
11750 |
109.5 |
2.8 |
0.924 |
3 |
1 |
0 |
0.000 |
58 |
|
K |
10 |
3 |
10541 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
11784 |
103.3 |
2.4 |
0.913 |
2 |
2 |
0 |
0.000 |
59 |
|
H |
10 |
3 |
11189 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
11756 |
100.6 |
2.4 |
0.898 |
3 |
1 |
0 |
0.000 |
60 |
|
J |
9 |
3 |
11039 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
11689 |
97.4 |
2.4 |
0.916 |
3 |
1 |
0 |
0.000 |
| Average: |
106.7 |
2.6 |
0.919 |
4 |
2 |
0 |
0.000 |
| 22 |
61 |
|
E |
11 |
4 |
11784 |
◊ |
G |
-x+1/2,y-1/2,-z |
4_545 |
9 |
4 |
11720 |
90.4 |
0.3 |
0.709 |
2 |
1 |
0 |
0.000 |
| 23 |
62 |
|
F |
12 |
5 |
11833 |
◊ |
N |
-x+1/2,y-1/2,-z |
4_545 |
8 |
2 |
10508 |
83.3 |
0.9 |
0.763 |
1 |
0 |
0 |
0.000 |
| 24 |
63 |
|
K |
10 |
4 |
10541 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
14 |
6 |
12047 |
82.1 |
2.1 |
0.859 |
1 |
1 |
0 |
0.000 |
| 25 |
64 |
|
D |
7 |
2 |
11689 |
◊ |
I |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
4 |
11236 |
79.5 |
-0.9 |
0.306 |
0 |
0 |
0 |
0.000 |
| 26 |
65 |
|
N |
10 |
3 |
10508 |
◊ |
F |
x-1/2,y+1/2,z |
3_455 |
13 |
4 |
11833 |
78.1 |
-0.2 |
0.638 |
1 |
0 |
0 |
0.000 |
| 27 |
66 |
|
L |
11 |
5 |
11042 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
11 |
4 |
12047 |
69.0 |
0.4 |
0.703 |
0 |
0 |
0 |
0.000 |
| 28 |
67 |
|
C |
11 |
3 |
11750 |
◊ |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
9 |
3 |
11189 |
65.7 |
0.4 |
0.701 |
0 |
3 |
0 |
0.000 |
| 29 |
68 |
|
J |
7 |
2 |
11039 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
3 |
11750 |
63.9 |
1.5 |
0.860 |
1 |
1 |
0 |
0.000 |
| 30 |
69 |
|
C |
8 |
3 |
11750 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
8 |
3 |
11750 |
54.9 |
1.6 |
0.866 |
0 |
0 |
0 |
0.000 |
| 31 |
70 |
|
D |
10 |
4 |
11689 |
◊ |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
5 |
11189 |
53.5 |
-0.1 |
0.507 |
0 |
0 |
0 |
0.000 |
| 32 |
71 |
|
L |
5 |
3 |
11042 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
2 |
1 |
12047 |
35.5 |
1.2 |
0.870 |
2 |
0 |
0 |
0.000 |
| 33 |
72 |
|
K |
3 |
2 |
10541 |
◊ |
N |
x,y-1,z |
1_545 |
3 |
1 |
10508 |
27.6 |
-0.1 |
0.517 |
0 |
0 |
0 |
0.000 |
| 34 |
73 |
|
K |
5 |
2 |
10541 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
2 |
1 |
11689 |
26.7 |
0.8 |
0.840 |
0 |
0 |
0 |
0.000 |
| 35 |
74 |
|
J |
2 |
1 |
11039 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
3 |
1 |
11756 |
19.7 |
0.1 |
0.664 |
0 |
0 |
0 |
0.000 |
| 36 |
75 |
|
J |
5 |
2 |
11039 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
11756 |
7.8 |
0.1 |
0.678 |
0 |
0 |
0 |
0.000 |
76 |
|
N |
3 |
2 |
10508 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
11833 |
5.8 |
0.0 |
0.666 |
0 |
0 |
0 |
0.000 |
77 |
|
K |
5 |
2 |
10541 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
11750 |
5.6 |
0.1 |
0.667 |
0 |
0 |
0 |
0.000 |
78 |
|
I |
4 |
2 |
11236 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
12047 |
5.0 |
0.1 |
0.677 |
0 |
0 |
0 |
0.000 |
79 |
|
H |
4 |
2 |
11189 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
11720 |
4.1 |
0.1 |
0.667 |
0 |
0 |
0 |
0.000 |
80 |
|
M |
3 |
2 |
10913 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
11784 |
2.1 |
0.0 |
0.659 |
0 |
0 |
0 |
0.000 |
81 |
|
L |
2 |
2 |
11042 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
11689 |
1.6 |
0.0 |
0.666 |
0 |
0 |
0 |
0.000 |
| Average: |
4.6 |
0.1 |
0.669 |
0 |
0 |
0 |
0.000 |
| 37 |
82 |
|
M |
2 |
1 |
10913 |
◊ |
L |
-x,y,-z |
2_555 |
2 |
1 |
11042 |
6.8 |
-0.1 |
0.524 |
0 |
0 |
0 |
0.000 |
|