## |
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 |
218 |
66 |
13248 |
◊ |
J |
x,y,z |
1_555 |
226 |
63 |
12139 |
2042.3 |
-21.1 |
0.106 |
31 |
7 |
0 |
1.000 |
2 |
|
L |
201 |
60 |
13505 |
◊ |
K |
x,y,z |
1_555 |
210 |
62 |
12100 |
1939.4 |
-21.8 |
0.121 |
22 |
7 |
0 |
1.000 |
3 |
|
E |
199 |
60 |
13269 |
◊ |
D |
x,y,z |
1_555 |
213 |
61 |
12318 |
1874.8 |
-23.9 |
0.060 |
21 |
6 |
0 |
1.000 |
Average: |
1952.2 |
-22.3 |
0.095 |
25 |
7 |
0 |
1.000 |
2 |
4 |
|
G |
144 |
33 |
6717 |
◊ |
F |
x,y,z |
1_555 |
152 |
44 |
16074 |
1306.2 |
-11.9 |
0.163 |
24 |
4 |
0 |
0.997 |
5 |
|
B |
128 |
30 |
6895 |
◊ |
A |
x,y,z |
1_555 |
133 |
40 |
15812 |
1299.7 |
-9.3 |
0.180 |
17 |
7 |
0 |
0.997 |
Average: |
1303.0 |
-10.6 |
0.171 |
21 |
6 |
0 |
0.997 |
3 |
6 |
|
C |
66 |
9 |
1464 |
◊ |
A |
x,y,z |
1_555 |
126 |
40 |
15812 |
914.0 |
-7.9 |
0.229 |
18 |
4 |
0 |
1.000 |
7 |
|
H |
67 |
9 |
1477 |
◊ |
F |
x,y,z |
1_555 |
120 |
38 |
16074 |
886.4 |
-8.4 |
0.233 |
19 |
2 |
0 |
1.000 |
Average: |
900.2 |
-8.2 |
0.231 |
19 |
3 |
0 |
1.000 |
4 |
8 |
|
D |
88 |
25 |
12318 |
◊ |
J |
x-1,y,z-1 |
1_454 |
85 |
25 |
12139 |
804.0 |
-5.9 |
0.464 |
13 |
0 |
0 |
0.130 |
5 |
9 |
|
K |
68 |
23 |
12100 |
◊ |
F |
x,y,z |
1_555 |
57 |
16 |
16074 |
615.0 |
-0.2 |
0.692 |
7 |
2 |
0 |
0.014 |
6 |
10 |
|
L |
56 |
17 |
13505 |
◊ |
A |
-x+1,y-1/2,-z-1 |
2_644 |
58 |
15 |
15812 |
548.8 |
0.5 |
0.654 |
6 |
1 |
0 |
0.000 |
7 |
11 |
|
D |
51 |
15 |
12318 |
◊ |
A |
x,y,z |
1_555 |
57 |
18 |
15812 |
521.9 |
-3.8 |
0.245 |
2 |
1 |
0 |
0.000 |
12 |
|
J |
47 |
11 |
12139 |
◊ |
F |
x,y,z |
1_555 |
49 |
14 |
16074 |
434.3 |
-6.0 |
0.142 |
1 |
0 |
0 |
0.000 |
Average: |
478.1 |
-4.9 |
0.194 |
2 |
1 |
0 |
0.000 |
8 |
13 |
|
E |
59 |
18 |
13269 |
◊ |
K |
x,y,z |
1_555 |
50 |
14 |
12100 |
498.4 |
-5.5 |
0.291 |
1 |
0 |
0 |
0.024 |
9 |
14 |
|
E |
53 |
17 |
13269 |
◊ |
A |
x,y,z |
1_555 |
54 |
14 |
15812 |
436.9 |
0.0 |
0.551 |
5 |
0 |
0 |
0.000 |
15 |
|
I |
51 |
15 |
13248 |
◊ |
F |
x,y,z |
1_555 |
46 |
13 |
16074 |
435.1 |
-0.6 |
0.511 |
5 |
0 |
0 |
0.000 |
Average: |
436.0 |
-0.3 |
0.531 |
5 |
0 |
0 |
0.000 |
10 |
16 |
|
L |
40 |
10 |
13505 |
◊ |
F |
x,y,z-1 |
1_554 |
48 |
14 |
16074 |
386.8 |
-2.8 |
0.277 |
6 |
2 |
0 |
0.056 |
11 |
17 |
|
G |
41 |
13 |
6717 |
◊ |
K |
x-1,y,z |
1_455 |
34 |
9 |
12100 |
347.9 |
-4.0 |
0.270 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
E |
33 |
11 |
13269 |
◊ |
F |
x,y,z |
1_555 |
32 |
8 |
16074 |
299.4 |
-1.6 |
0.432 |
4 |
2 |
0 |
0.028 |
19 |
|
I |
26 |
11 |
13248 |
◊ |
A |
x,y,z |
1_555 |
27 |
11 |
15812 |
216.1 |
-0.7 |
0.386 |
3 |
0 |
0 |
0.028 |
Average: |
257.8 |
-1.2 |
0.409 |
4 |
1 |
0 |
0.028 |
13 |
20 |
|
L |
22 |
4 |
13505 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
25 |
8 |
15812 |
222.0 |
-1.8 |
0.363 |
1 |
2 |
0 |
0.000 |
14 |
21 |
|
E |
30 |
7 |
13269 |
◊ |
G |
x,y,z |
1_555 |
23 |
6 |
6717 |
215.5 |
-2.3 |
0.357 |
1 |
0 |
0 |
0.023 |
22 |
|
I |
30 |
7 |
13248 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
6895 |
207.4 |
-1.5 |
0.441 |
1 |
0 |
0 |
0.023 |
Average: |
211.4 |
-1.9 |
0.399 |
1 |
0 |
0 |
0.023 |
15 |
23 |
|
E |
23 |
6 |
13269 |
◊ |
C |
x,y,z |
1_555 |
19 |
4 |
1464 |
184.0 |
0.8 |
0.694 |
5 |
6 |
0 |
0.000 |
24 |
|
I |
23 |
6 |
13248 |
◊ |
H |
x,y,z |
1_555 |
16 |
4 |
1477 |
183.3 |
0.3 |
0.655 |
5 |
7 |
0 |
0.000 |
Average: |
183.6 |
0.5 |
0.674 |
5 |
7 |
0 |
0.000 |
16 |
25 |
|
I |
21 |
5 |
13248 |
◊ |
E |
x,y,z |
1_555 |
21 |
5 |
13269 |
157.0 |
-1.0 |
0.497 |
2 |
0 |
0 |
0.000 |
17 |
26 |
|
D |
21 |
6 |
12318 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
1464 |
138.4 |
0.0 |
0.580 |
1 |
1 |
0 |
0.000 |
27 |
|
J |
19 |
6 |
12139 |
◊ |
H |
x,y,z |
1_555 |
15 |
4 |
1477 |
135.1 |
-0.4 |
0.507 |
1 |
1 |
0 |
0.000 |
Average: |
136.7 |
-0.2 |
0.543 |
1 |
1 |
0 |
0.000 |
18 |
28 |
|
K |
22 |
9 |
12100 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
12318 |
127.0 |
-1.4 |
0.404 |
1 |
0 |
0 |
0.008 |
19 |
29 |
|
[IOD]K:301 |
1 |
1 |
144 |
◊ |
K |
x,y,z |
1_555 |
12 |
7 |
12100 |
83.7 |
0.5 |
0.858 |
0 |
0 |
0 |
0.000 |
20 |
30 |
|
[IOD]I:302 |
1 |
1 |
144 |
◊ |
I |
x,y,z |
1_555 |
17 |
5 |
13248 |
81.6 |
0.6 |
0.858 |
0 |
0 |
0 |
0.000 |
31 |
|
[IOD]E:301 |
1 |
1 |
144 |
◊ |
E |
x,y,z |
1_555 |
16 |
5 |
13269 |
73.2 |
0.5 |
0.840 |
0 |
0 |
0 |
0.000 |
Average: |
77.4 |
0.6 |
0.849 |
0 |
0 |
0 |
0.000 |
21 |
32 |
|
[IOD]D:301 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
12318 |
73.0 |
-0.3 |
0.700 |
0 |
0 |
0 |
0.007 |
33 |
|
[IOD]J:301 |
1 |
1 |
144 |
◊ |
J |
x,y,z |
1_555 |
15 |
6 |
12139 |
72.3 |
-0.4 |
0.698 |
0 |
0 |
0 |
0.007 |
Average: |
72.7 |
-0.3 |
0.699 |
0 |
0 |
0 |
0.007 |
22 |
34 |
|
[IOD]L:304 |
1 |
1 |
144 |
f |
K |
x,y,z |
1_555 |
16 |
5 |
12100 |
73.0 |
-0.3 |
0.738 |
0 |
0 |
0 |
0.059 |
23 |
35 |
|
[IOD]G:101 |
1 |
1 |
144 |
f |
G |
x,y,z |
1_555 |
10 |
5 |
6717 |
71.9 |
-0.7 |
0.534 |
0 |
0 |
0 |
0.015 |
24 |
36 |
|
[IOD]K:302 |
1 |
1 |
144 |
f |
K |
x,y,z |
1_555 |
13 |
7 |
12100 |
70.9 |
-0.2 |
0.729 |
0 |
0 |
0 |
0.046 |
25 |
37 |
|
[IOD]I:301 |
1 |
1 |
144 |
f |
I |
x,y,z |
1_555 |
10 |
4 |
13248 |
66.8 |
0.1 |
0.749 |
0 |
0 |
0 |
0.007 |
38 |
|
[IOD]E:302 |
1 |
1 |
144 |
f |
E |
x,y,z |
1_555 |
11 |
4 |
13269 |
52.1 |
-0.3 |
0.672 |
0 |
0 |
0 |
0.007 |
Average: |
59.4 |
-0.1 |
0.711 |
0 |
0 |
0 |
0.007 |
26 |
39 |
|
[IOD]L:302 |
1 |
1 |
144 |
f |
F |
x,y,z-1 |
1_554 |
14 |
6 |
16074 |
66.7 |
-0.4 |
0.569 |
0 |
0 |
0 |
0.015 |
27 |
40 |
|
[NA]G:102 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
5 |
4 |
6717 |
58.4 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.202 |
28 |
41 |
|
[IOD]L:301 |
1 |
1 |
144 |
◊ |
L |
x,y,z |
1_555 |
10 |
3 |
13505 |
56.7 |
1.1 |
0.930 |
0 |
0 |
0 |
0.000 |
29 |
42 |
|
[IOD]L:301 |
1 |
1 |
144 |
f |
K |
x,y,z |
1_555 |
7 |
4 |
12100 |
53.1 |
0.0 |
0.768 |
0 |
0 |
0 |
0.000 |
30 |
43 |
|
[NA]L:303 |
1 |
1 |
125 |
f |
F |
x,y,z-1 |
1_554 |
14 |
5 |
16074 |
52.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.275 |
31 |
44 |
|
[IOD]L:304 |
1 |
1 |
144 |
◊ |
L |
x,y,z |
1_555 |
6 |
3 |
13505 |
47.6 |
-0.0 |
0.705 |
0 |
0 |
0 |
0.002 |
32 |
45 |
|
K |
4 |
1 |
12100 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
5 |
1 |
6895 |
46.1 |
-0.3 |
0.424 |
0 |
1 |
0 |
0.000 |
33 |
46 |
|
[IOD]I:301 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
15812 |
44.8 |
-0.3 |
0.607 |
0 |
0 |
0 |
0.002 |
47 |
|
[IOD]E:302 |
1 |
1 |
144 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
16074 |
38.8 |
-0.2 |
0.663 |
0 |
0 |
0 |
0.002 |
Average: |
41.8 |
-0.2 |
0.635 |
0 |
0 |
0 |
0.002 |
34 |
48 |
|
[IOD]D:301 |
1 |
1 |
144 |
f |
J |
x-1,y,z-1 |
1_454 |
10 |
5 |
12139 |
43.4 |
-0.5 |
0.641 |
0 |
0 |
0 |
0.100 |
49 |
|
D |
14 |
6 |
12318 |
f |
[IOD]J:301 |
x-1,y,z-1 |
1_454 |
1 |
1 |
144 |
41.6 |
-0.3 |
0.711 |
0 |
0 |
0 |
0.100 |
Average: |
42.5 |
-0.4 |
0.676 |
0 |
0 |
0 |
0.100 |
35 |
50 |
|
A |
5 |
3 |
15812 |
◊ |
I |
x,y,z-1 |
1_554 |
7 |
4 |
13248 |
42.9 |
0.9 |
0.763 |
1 |
1 |
0 |
0.000 |
36 |
51 |
|
L |
4 |
1 |
13505 |
◊ |
G |
x,y,z-1 |
1_554 |
4 |
3 |
6717 |
42.7 |
-0.1 |
0.546 |
0 |
0 |
0 |
0.001 |
37 |
52 |
|
[IOD]L:302 |
1 |
1 |
144 |
◊ |
L |
x,y,z |
1_555 |
7 |
2 |
13505 |
38.0 |
0.1 |
0.769 |
0 |
0 |
0 |
0.000 |
38 |
53 |
|
L |
3 |
1 |
13505 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
12318 |
37.4 |
0.1 |
0.515 |
1 |
0 |
0 |
0.002 |
39 |
54 |
|
[IOD]G:101 |
1 |
1 |
144 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
16074 |
35.6 |
-0.4 |
0.418 |
0 |
0 |
0 |
0.008 |
40 |
55 |
|
[NA]E:303 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
4 |
1 |
13269 |
34.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.101 |
41 |
56 |
|
G |
5 |
2 |
6717 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
3 |
1 |
6895 |
33.5 |
0.7 |
0.682 |
1 |
0 |
0 |
0.000 |
42 |
57 |
|
[IOD]E:301 |
1 |
1 |
144 |
f |
G |
x,y,z |
1_555 |
4 |
2 |
6717 |
33.4 |
-0.0 |
0.736 |
0 |
0 |
0 |
0.100 |
58 |
|
[IOD]I:302 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
6895 |
32.5 |
-0.1 |
0.720 |
0 |
0 |
0 |
0.100 |
Average: |
33.0 |
-0.0 |
0.728 |
0 |
0 |
0 |
0.100 |
43 |
59 |
|
[NA]E:303 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
6717 |
30.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.016 |
44 |
60 |
|
[NA]L:303 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
4 |
1 |
13505 |
30.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.032 |
45 |
61 |
|
[NA]E:303 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
16074 |
29.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.014 |
46 |
62 |
|
D |
5 |
2 |
12318 |
◊ |
I |
x,y,z-1 |
1_554 |
3 |
1 |
13248 |
26.9 |
-0.0 |
0.614 |
0 |
0 |
0 |
0.000 |
47 |
63 |
|
E |
7 |
3 |
13269 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
15812 |
26.2 |
0.2 |
0.632 |
0 |
0 |
0 |
0.000 |
48 |
64 |
|
[NA]G:102 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
13269 |
23.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.013 |
49 |
65 |
|
[NA]E:303 |
1 |
1 |
125 |
f |
[IOD]E:302 |
x,y,z |
1_555 |
1 |
1 |
144 |
23.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.058 |
50 |
66 |
|
[NA]L:303 |
1 |
1 |
125 |
f |
[IOD]L:302 |
x,y,z |
1_555 |
1 |
1 |
144 |
22.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.079 |
51 |
67 |
|
K |
4 |
2 |
12100 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
6717 |
22.2 |
-0.1 |
0.318 |
0 |
0 |
0 |
0.000 |
52 |
68 |
|
[IOD]E:302 |
1 |
1 |
144 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
6717 |
19.4 |
-0.3 |
0.555 |
0 |
0 |
0 |
0.002 |
69 |
|
[IOD]I:301 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6895 |
2.8 |
-0.0 |
0.654 |
0 |
0 |
0 |
0.002 |
Average: |
11.1 |
-0.2 |
0.604 |
0 |
0 |
0 |
0.002 |
53 |
70 |
|
L |
1 |
1 |
13505 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
16074 |
11.4 |
-0.0 |
0.388 |
0 |
0 |
0 |
0.000 |
54 |
71 |
|
E |
1 |
1 |
13269 |
◊ |
J |
x-1,y,z |
1_455 |
1 |
1 |
12139 |
7.7 |
0.3 |
0.823 |
0 |
0 |
0 |
0.000 |
55 |
72 |
|
[NA]G:102 |
1 |
1 |
125 |
f |
[IOD]E:301 |
x,y,z |
1_555 |
1 |
1 |
144 |
7.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.019 |
56 |
73 |
|
[NA]G:102 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
16074 |
3.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.007 |
57 |
74 |
|
[IOD]K:301 |
1 |
1 |
144 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
16074 |
2.4 |
0.0 |
0.854 |
0 |
0 |
0 |
0.000 |
58 |
75 |
|
[NA]E:303 |
1 |
1 |
125 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
12100 |
2.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|