## |
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 |
120 |
33 |
7514 |
◊ |
B |
x,y,z |
1_555 |
126 |
32 |
7444 |
1219.3 |
-16.3 |
0.075 |
11 |
0 |
0 |
0.974 |
2 |
|
H |
120 |
33 |
7325 |
◊ |
C |
x,y,z |
1_555 |
115 |
31 |
7491 |
1205.2 |
-15.9 |
0.078 |
13 |
0 |
0 |
0.974 |
3 |
|
J |
118 |
33 |
7398 |
◊ |
F |
x,y,z |
1_555 |
124 |
33 |
7444 |
1193.5 |
-16.0 |
0.063 |
12 |
0 |
0 |
0.974 |
4 |
|
I |
118 |
33 |
7284 |
◊ |
D |
x,y,z |
1_555 |
119 |
33 |
7489 |
1190.8 |
-16.1 |
0.068 |
13 |
0 |
0 |
0.974 |
5 |
|
L |
116 |
33 |
7331 |
◊ |
A |
x,y,z |
1_555 |
116 |
33 |
7507 |
1189.5 |
-15.2 |
0.074 |
12 |
0 |
0 |
0.974 |
6 |
|
K |
118 |
33 |
7359 |
◊ |
E |
x,y,z |
1_555 |
123 |
32 |
7492 |
1186.5 |
-16.3 |
0.076 |
15 |
0 |
0 |
0.974 |
Average: |
1197.5 |
-16.0 |
0.072 |
13 |
0 |
0 |
0.974 |
2 |
7 |
|
G |
81 |
24 |
7514 |
◊ |
D |
x,y,z |
1_555 |
75 |
21 |
7489 |
780.3 |
-10.2 |
0.129 |
8 |
0 |
0 |
1.000 |
8 |
|
L |
79 |
23 |
7331 |
◊ |
F |
x,y,z |
1_555 |
75 |
21 |
7444 |
774.3 |
-9.3 |
0.156 |
10 |
0 |
0 |
1.000 |
9 |
|
H |
78 |
22 |
7325 |
◊ |
B |
x,y,z |
1_555 |
78 |
22 |
7444 |
749.2 |
-9.8 |
0.158 |
9 |
0 |
0 |
1.000 |
10 |
|
J |
78 |
23 |
7398 |
◊ |
E |
x,y,z |
1_555 |
79 |
21 |
7492 |
740.5 |
-9.7 |
0.149 |
9 |
0 |
0 |
1.000 |
11 |
|
K |
75 |
24 |
7359 |
◊ |
A |
x,y,z |
1_555 |
73 |
21 |
7507 |
732.3 |
-10.2 |
0.110 |
5 |
0 |
0 |
1.000 |
12 |
|
I |
74 |
22 |
7284 |
◊ |
C |
x,y,z |
1_555 |
72 |
21 |
7491 |
719.7 |
-10.2 |
0.116 |
6 |
0 |
0 |
1.000 |
Average: |
749.4 |
-9.9 |
0.136 |
8 |
0 |
0 |
1.000 |
3 |
13 |
|
C |
56 |
16 |
7491 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
55 |
16 |
7444 |
469.4 |
-0.0 |
0.705 |
1 |
3 |
0 |
0.000 |
14 |
|
E |
56 |
19 |
7492 |
◊ |
A |
-x,y,-z |
2_555 |
52 |
16 |
7507 |
446.4 |
0.6 |
0.722 |
4 |
3 |
0 |
0.000 |
15 |
|
F |
54 |
16 |
7444 |
◊ |
F |
-x,y,-z |
2_555 |
54 |
16 |
7444 |
429.7 |
-0.8 |
0.627 |
2 |
2 |
0 |
0.000 |
16 |
|
D |
45 |
13 |
7489 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
45 |
13 |
7489 |
388.5 |
-1.2 |
0.584 |
2 |
2 |
0 |
0.000 |
Average: |
433.5 |
-0.3 |
0.660 |
2 |
3 |
0 |
0.000 |
4 |
17 |
|
E |
35 |
9 |
7492 |
◊ |
F |
-x+1/2,y-1/2,-z |
4_545 |
38 |
9 |
7444 |
323.0 |
2.0 |
0.822 |
4 |
3 |
0 |
0.000 |
18 |
|
A |
37 |
8 |
7507 |
◊ |
A |
-x,y,-z+1 |
2_556 |
36 |
8 |
7507 |
316.2 |
0.9 |
0.735 |
2 |
0 |
0 |
0.000 |
19 |
|
C |
34 |
9 |
7491 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
35 |
9 |
7489 |
316.1 |
2.3 |
0.792 |
5 |
1 |
0 |
0.000 |
20 |
|
B |
33 |
8 |
7444 |
◊ |
B |
-x+1,y,-z |
2_655 |
33 |
8 |
7444 |
296.6 |
2.1 |
0.844 |
4 |
0 |
0 |
0.000 |
Average: |
313.0 |
1.8 |
0.798 |
4 |
1 |
0 |
0.000 |
5 |
21 |
|
[DCM]C:202 |
19 |
1 |
445 |
◊ |
C |
x,y,z |
1_555 |
35 |
12 |
7491 |
243.6 |
1.4 |
0.717 |
5 |
0 |
0 |
0.062 |
22 |
|
[DCM]F:202 |
18 |
1 |
453 |
◊ |
F |
x,y,z |
1_555 |
37 |
12 |
7444 |
243.0 |
1.8 |
0.704 |
4 |
0 |
0 |
0.062 |
23 |
|
[DCM]E:202 |
19 |
1 |
443 |
◊ |
E |
x,y,z |
1_555 |
33 |
11 |
7492 |
241.2 |
1.4 |
0.703 |
5 |
0 |
0 |
0.062 |
24 |
|
[DCM]D:202 |
19 |
1 |
444 |
◊ |
D |
x,y,z |
1_555 |
37 |
11 |
7489 |
239.1 |
1.7 |
0.714 |
4 |
0 |
0 |
0.062 |
25 |
|
[DCM]B:202 |
19 |
1 |
448 |
◊ |
B |
x,y,z |
1_555 |
35 |
12 |
7444 |
238.0 |
1.7 |
0.707 |
3 |
0 |
0 |
0.062 |
26 |
|
[DCM]H:202 |
19 |
1 |
445 |
◊ |
H |
x,y,z |
1_555 |
35 |
11 |
7325 |
236.3 |
2.2 |
0.748 |
4 |
0 |
0 |
0.062 |
27 |
|
[DCM]A:202 |
19 |
1 |
437 |
◊ |
A |
x,y,z |
1_555 |
34 |
12 |
7507 |
235.4 |
1.6 |
0.710 |
4 |
0 |
0 |
0.062 |
28 |
|
[DCM]J:202 |
19 |
1 |
447 |
◊ |
J |
x,y,z |
1_555 |
37 |
11 |
7398 |
235.0 |
1.6 |
0.718 |
4 |
0 |
0 |
0.062 |
29 |
|
[DCM]L:202 |
19 |
1 |
435 |
◊ |
L |
x,y,z |
1_555 |
39 |
11 |
7331 |
232.5 |
1.7 |
0.718 |
4 |
0 |
0 |
0.062 |
30 |
|
[DCM]G:202 |
18 |
1 |
440 |
◊ |
G |
x,y,z |
1_555 |
36 |
11 |
7514 |
231.9 |
1.7 |
0.706 |
5 |
0 |
0 |
0.062 |
31 |
|
[DCM]K:202 |
18 |
1 |
443 |
◊ |
K |
x,y,z |
1_555 |
35 |
11 |
7359 |
230.6 |
2.1 |
0.735 |
4 |
0 |
0 |
0.062 |
Average: |
237.0 |
1.7 |
0.716 |
4 |
0 |
0 |
0.062 |
6 |
32 |
|
[DCM]I:202 |
19 |
1 |
440 |
◊ |
I |
x,y,z |
1_555 |
33 |
11 |
7284 |
228.7 |
1.4 |
0.694 |
4 |
0 |
0 |
0.022 |
7 |
33 |
|
L |
23 |
7 |
7331 |
◊ |
I |
x,y,z |
1_555 |
20 |
9 |
7284 |
157.7 |
1.4 |
0.791 |
2 |
0 |
0 |
0.000 |
8 |
34 |
|
J |
22 |
6 |
7398 |
◊ |
G |
x,y,z |
1_555 |
23 |
7 |
7514 |
157.1 |
-0.2 |
0.619 |
1 |
0 |
0 |
0.000 |
9 |
35 |
|
L |
17 |
5 |
7331 |
◊ |
J |
-x,y,-z |
2_555 |
14 |
4 |
7398 |
127.3 |
0.4 |
0.681 |
3 |
0 |
0 |
0.000 |
36 |
|
I |
14 |
4 |
7284 |
◊ |
G |
-x+1,y,-z+1 |
2_656 |
14 |
4 |
7514 |
121.9 |
0.2 |
0.655 |
2 |
0 |
0 |
0.000 |
37 |
|
K |
13 |
3 |
7359 |
◊ |
K |
-x,y,-z |
2_555 |
13 |
3 |
7359 |
121.7 |
0.6 |
0.727 |
5 |
0 |
0 |
0.000 |
38 |
|
H |
14 |
4 |
7325 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
14 |
4 |
7325 |
105.0 |
-0.4 |
0.586 |
0 |
0 |
0 |
0.000 |
Average: |
119.0 |
0.2 |
0.662 |
3 |
0 |
0 |
0.000 |
10 |
39 |
|
K |
16 |
6 |
7359 |
◊ |
H |
x,y,z |
1_555 |
22 |
8 |
7325 |
124.2 |
0.3 |
0.678 |
0 |
0 |
0 |
0.000 |
11 |
40 |
|
J |
16 |
5 |
7398 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
7444 |
115.7 |
-0.0 |
0.625 |
0 |
0 |
0 |
0.000 |
12 |
41 |
|
G |
14 |
5 |
7514 |
◊ |
F |
x,y,z |
1_555 |
11 |
4 |
7444 |
114.4 |
0.4 |
0.576 |
0 |
0 |
0 |
0.000 |
13 |
42 |
|
K |
10 |
4 |
7359 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
7491 |
80.0 |
-1.4 |
0.306 |
0 |
0 |
0 |
0.000 |
14 |
43 |
|
[DCM]C:202 |
6 |
1 |
445 |
f |
I |
x,y,z |
1_555 |
6 |
4 |
7284 |
64.7 |
-0.3 |
0.570 |
2 |
0 |
0 |
0.100 |
44 |
|
[DCM]A:202 |
6 |
1 |
437 |
f |
K |
x,y,z |
1_555 |
7 |
4 |
7359 |
56.0 |
-0.9 |
0.508 |
0 |
0 |
0 |
0.100 |
45 |
|
[DCM]B:202 |
4 |
1 |
448 |
f |
H |
x,y,z |
1_555 |
5 |
3 |
7325 |
45.6 |
-0.8 |
0.502 |
0 |
0 |
0 |
0.100 |
46 |
|
[DCM]D:202 |
6 |
1 |
444 |
f |
G |
x,y,z |
1_555 |
7 |
4 |
7514 |
42.8 |
-0.6 |
0.524 |
0 |
0 |
0 |
0.100 |
47 |
|
[DCM]F:202 |
4 |
1 |
453 |
f |
L |
x,y,z |
1_555 |
7 |
3 |
7331 |
42.1 |
-0.7 |
0.499 |
1 |
0 |
0 |
0.100 |
48 |
|
[DCM]E:202 |
4 |
1 |
443 |
f |
J |
x,y,z |
1_555 |
6 |
3 |
7398 |
40.5 |
-1.3 |
0.379 |
0 |
0 |
0 |
0.100 |
49 |
|
[DCM]H:202 |
3 |
1 |
445 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
7444 |
38.0 |
-0.0 |
0.467 |
0 |
0 |
0 |
0.100 |
50 |
|
[DCM]G:202 |
4 |
1 |
440 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
7489 |
35.5 |
-0.2 |
0.438 |
0 |
0 |
0 |
0.100 |
51 |
|
[DCM]K:202 |
2 |
1 |
443 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
7507 |
29.0 |
-0.0 |
0.508 |
1 |
0 |
0 |
0.100 |
52 |
|
[DCM]I:202 |
2 |
1 |
440 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
7491 |
26.2 |
0.2 |
0.556 |
1 |
0 |
0 |
0.100 |
53 |
|
[DCM]J:202 |
1 |
1 |
447 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
7492 |
23.1 |
-0.1 |
0.469 |
0 |
0 |
0 |
0.100 |
Average: |
40.3 |
-0.4 |
0.493 |
0 |
0 |
0 |
0.100 |
15 |
54 |
|
I |
5 |
3 |
7284 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
7507 |
39.9 |
-1.0 |
0.315 |
0 |
0 |
0 |
0.000 |
16 |
55 |
|
[DCM]B:202 |
5 |
1 |
448 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
7514 |
35.8 |
1.0 |
0.732 |
1 |
0 |
0 |
0.000 |
56 |
|
[DCM]C:202 |
6 |
1 |
445 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
7325 |
30.2 |
0.5 |
0.700 |
1 |
0 |
0 |
0.000 |
Average: |
33.0 |
0.8 |
0.716 |
1 |
0 |
0 |
0.000 |
17 |
57 |
|
[DCM]F:202 |
6 |
1 |
453 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
7398 |
35.0 |
1.0 |
0.733 |
1 |
0 |
0 |
0.000 |
58 |
|
[DCM]J:202 |
6 |
1 |
447 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
7444 |
34.3 |
0.7 |
0.712 |
1 |
0 |
0 |
0.000 |
59 |
|
[DCM]I:202 |
6 |
1 |
440 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
7489 |
33.7 |
0.6 |
0.704 |
1 |
0 |
0 |
0.000 |
60 |
|
[DCM]G:202 |
8 |
1 |
440 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
7444 |
33.2 |
0.7 |
0.699 |
1 |
0 |
0 |
0.000 |
61 |
|
[DCM]K:202 |
6 |
1 |
443 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
7492 |
33.0 |
0.8 |
0.717 |
1 |
0 |
0 |
0.000 |
62 |
|
[DCM]H:202 |
6 |
1 |
445 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
7491 |
32.9 |
0.9 |
0.729 |
0 |
0 |
0 |
0.000 |
63 |
|
[DCM]E:202 |
6 |
1 |
443 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
7359 |
32.6 |
0.6 |
0.751 |
1 |
0 |
0 |
0.000 |
64 |
|
[DCM]L:202 |
8 |
1 |
435 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
7507 |
32.6 |
0.5 |
0.699 |
1 |
0 |
0 |
0.000 |
65 |
|
[DCM]A:202 |
7 |
1 |
437 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
7331 |
32.4 |
0.6 |
0.710 |
1 |
0 |
0 |
0.000 |
66 |
|
[DCM]D:202 |
7 |
1 |
444 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
7284 |
32.1 |
0.7 |
0.707 |
1 |
0 |
0 |
0.000 |
Average: |
33.2 |
0.7 |
0.716 |
1 |
0 |
0 |
0.000 |
18 |
67 |
|
K |
4 |
2 |
7359 |
◊ |
I |
-x+1/2,y-1/2,-z+1 |
4_546 |
8 |
2 |
7284 |
32.2 |
0.5 |
0.727 |
0 |
0 |
0 |
0.000 |
19 |
68 |
|
[DCM]L:202 |
3 |
1 |
435 |
f |
F |
x,y,z |
1_555 |
4 |
3 |
7444 |
31.2 |
-0.1 |
0.470 |
0 |
0 |
0 |
0.100 |
20 |
69 |
|
G |
5 |
3 |
7514 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
7491 |
30.0 |
0.2 |
0.675 |
0 |
0 |
0 |
0.000 |
70 |
|
K |
5 |
2 |
7359 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
1 |
7507 |
28.9 |
1.1 |
0.843 |
1 |
0 |
0 |
0.000 |
71 |
|
L |
3 |
1 |
7331 |
◊ |
E |
-x,y,-z |
2_555 |
2 |
1 |
7492 |
26.6 |
0.4 |
0.725 |
0 |
0 |
0 |
0.000 |
72 |
|
J |
3 |
1 |
7398 |
◊ |
F |
-x,y,-z |
2_555 |
2 |
1 |
7444 |
24.4 |
0.3 |
0.744 |
0 |
0 |
0 |
0.000 |
73 |
|
I |
3 |
1 |
7284 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
7489 |
21.5 |
1.0 |
0.840 |
1 |
0 |
0 |
0.000 |
74 |
|
H |
2 |
1 |
7325 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
7444 |
20.5 |
0.0 |
0.533 |
0 |
0 |
0 |
0.000 |
Average: |
25.3 |
0.5 |
0.727 |
0 |
0 |
0 |
0.000 |
21 |
75 |
|
L |
2 |
1 |
7331 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
7489 |
19.7 |
-0.3 |
0.380 |
0 |
0 |
0 |
0.000 |
22 |
76 |
|
H |
2 |
2 |
7325 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
7492 |
11.4 |
-0.1 |
0.538 |
0 |
0 |
0 |
0.000 |
23 |
77 |
|
[DCM]B:202 |
1 |
1 |
448 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
7398 |
5.4 |
-0.4 |
0.303 |
0 |
0 |
0 |
0.000 |
|