## |
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 |
|
C |
284 |
75 |
12668 |
◊ |
B |
x,y,z |
1_555 |
240 |
56 |
12722 |
2452.6 |
-16.8 |
0.399 |
34 |
12 |
0 |
0.326 |
2 |
|
J |
280 |
74 |
12672 |
◊ |
I |
x,y,z |
1_555 |
238 |
56 |
12663 |
2443.1 |
-16.9 |
0.394 |
35 |
9 |
0 |
0.326 |
3 |
|
E |
282 |
75 |
12744 |
◊ |
D |
x,y,z |
1_555 |
236 |
56 |
12719 |
2438.6 |
-17.9 |
0.348 |
34 |
10 |
0 |
0.326 |
4 |
|
K |
278 |
74 |
12701 |
◊ |
J |
x,y,z |
1_555 |
238 |
56 |
12672 |
2437.4 |
-17.8 |
0.364 |
31 |
9 |
0 |
0.326 |
5 |
|
K |
233 |
55 |
12701 |
◊ |
A |
x,y,z |
1_555 |
278 |
73 |
12708 |
2436.3 |
-17.3 |
0.359 |
37 |
10 |
0 |
0.326 |
6 |
|
D |
278 |
73 |
12719 |
◊ |
C |
x,y,z |
1_555 |
235 |
56 |
12668 |
2426.1 |
-17.7 |
0.357 |
37 |
8 |
0 |
0.326 |
7 |
|
F |
279 |
74 |
12749 |
◊ |
E |
x,y,z |
1_555 |
236 |
57 |
12744 |
2425.1 |
-17.4 |
0.378 |
34 |
11 |
0 |
0.326 |
8 |
|
G |
279 |
72 |
12692 |
◊ |
F |
x,y,z |
1_555 |
235 |
56 |
12749 |
2423.4 |
-17.6 |
0.378 |
39 |
10 |
0 |
0.326 |
9 |
|
H |
275 |
73 |
12758 |
◊ |
G |
x,y,z |
1_555 |
240 |
57 |
12692 |
2417.1 |
-18.0 |
0.344 |
32 |
9 |
0 |
0.326 |
10 |
|
B |
278 |
72 |
12722 |
◊ |
A |
x,y,z |
1_555 |
237 |
57 |
12708 |
2413.9 |
-17.8 |
0.368 |
34 |
11 |
0 |
0.326 |
11 |
|
I |
276 |
76 |
12663 |
◊ |
H |
x,y,z |
1_555 |
237 |
56 |
12758 |
2406.7 |
-17.8 |
0.352 |
35 |
9 |
0 |
0.326 |
Average: |
2429.1 |
-17.5 |
0.367 |
35 |
10 |
0 |
0.326 |
2 |
12 |
|
L |
80 |
7 |
10240 |
◊ |
B |
x,y,z |
1_555 |
85 |
24 |
12722 |
694.3 |
-12.4 |
0.798 |
10 |
0 |
0 |
0.164 |
3 |
13 |
|
L |
77 |
7 |
10240 |
◊ |
D |
x,y,z |
1_555 |
76 |
23 |
12719 |
691.7 |
-13.6 |
0.770 |
10 |
0 |
0 |
0.174 |
4 |
14 |
|
L |
77 |
8 |
10240 |
◊ |
G |
x,y,z |
1_555 |
82 |
24 |
12692 |
683.3 |
-8.0 |
0.827 |
15 |
0 |
0 |
0.143 |
5 |
15 |
|
L |
79 |
7 |
10240 |
◊ |
C |
x,y,z |
1_555 |
71 |
23 |
12668 |
670.4 |
-11.7 |
0.798 |
13 |
0 |
0 |
0.169 |
6 |
16 |
|
L |
73 |
8 |
10240 |
◊ |
H |
x,y,z |
1_555 |
76 |
23 |
12758 |
667.3 |
-12.7 |
0.765 |
14 |
0 |
0 |
0.180 |
7 |
17 |
|
L |
82 |
7 |
10240 |
◊ |
E |
x,y,z |
1_555 |
73 |
22 |
12744 |
661.3 |
-9.6 |
0.848 |
13 |
0 |
0 |
0.150 |
8 |
18 |
|
L |
73 |
7 |
10240 |
◊ |
J |
x,y,z |
1_555 |
78 |
23 |
12672 |
657.8 |
-11.3 |
0.784 |
10 |
0 |
0 |
0.152 |
9 |
19 |
|
L |
79 |
8 |
10240 |
◊ |
I |
x,y,z |
1_555 |
71 |
22 |
12663 |
646.0 |
-11.2 |
0.820 |
8 |
0 |
0 |
0.145 |
10 |
20 |
|
L |
72 |
8 |
10240 |
◊ |
F |
x,y,z |
1_555 |
71 |
21 |
12749 |
623.3 |
-10.4 |
0.828 |
10 |
0 |
0 |
0.145 |
11 |
21 |
|
L |
43 |
5 |
10240 |
◊ |
A |
x,y,z |
1_555 |
55 |
15 |
12708 |
396.6 |
-3.6 |
0.798 |
7 |
0 |
0 |
0.035 |
12 |
22 |
|
L |
30 |
3 |
10240 |
◊ |
K |
x,y,z |
1_555 |
32 |
13 |
12701 |
316.7 |
-0.7 |
0.807 |
4 |
0 |
0 |
0.001 |
13 |
23 |
|
J |
34 |
11 |
12672 |
◊ |
H |
x,y,z |
1_555 |
30 |
6 |
12758 |
304.0 |
-2.5 |
0.365 |
5 |
2 |
0 |
0.050 |
24 |
|
J |
31 |
6 |
12672 |
◊ |
A |
x,y,z |
1_555 |
34 |
11 |
12708 |
300.6 |
-3.5 |
0.328 |
3 |
0 |
0 |
0.050 |
25 |
|
E |
35 |
11 |
12744 |
◊ |
C |
x,y,z |
1_555 |
30 |
6 |
12668 |
295.1 |
-2.6 |
0.364 |
5 |
2 |
0 |
0.050 |
26 |
|
K |
28 |
6 |
12701 |
◊ |
B |
x,y,z |
1_555 |
34 |
11 |
12722 |
291.7 |
-3.6 |
0.293 |
3 |
2 |
0 |
0.050 |
27 |
|
K |
34 |
11 |
12701 |
◊ |
I |
x,y,z |
1_555 |
29 |
6 |
12663 |
287.5 |
-3.5 |
0.320 |
3 |
1 |
0 |
0.050 |
28 |
|
I |
34 |
11 |
12663 |
◊ |
G |
x,y,z |
1_555 |
30 |
6 |
12692 |
286.8 |
-3.4 |
0.335 |
5 |
2 |
0 |
0.050 |
29 |
|
D |
32 |
11 |
12719 |
◊ |
B |
x,y,z |
1_555 |
29 |
6 |
12722 |
286.5 |
-2.6 |
0.338 |
3 |
1 |
0 |
0.050 |
30 |
|
G |
35 |
10 |
12692 |
◊ |
E |
x,y,z |
1_555 |
29 |
6 |
12744 |
285.6 |
-3.6 |
0.302 |
5 |
2 |
0 |
0.050 |
31 |
|
H |
34 |
11 |
12758 |
◊ |
F |
x,y,z |
1_555 |
27 |
6 |
12749 |
284.6 |
-3.6 |
0.284 |
4 |
2 |
0 |
0.050 |
32 |
|
F |
34 |
11 |
12749 |
◊ |
D |
x,y,z |
1_555 |
28 |
6 |
12719 |
283.1 |
-3.5 |
0.310 |
5 |
2 |
0 |
0.050 |
33 |
|
C |
33 |
10 |
12668 |
◊ |
A |
x,y,z |
1_555 |
27 |
6 |
12708 |
279.6 |
-3.6 |
0.295 |
3 |
2 |
0 |
0.050 |
Average: |
289.6 |
-3.3 |
0.321 |
4 |
2 |
0 |
0.050 |
14 |
34 |
|
G |
26 |
10 |
12692 |
◊ |
B |
x,y-1,z |
1_545 |
29 |
12 |
12722 |
258.1 |
-3.5 |
0.292 |
2 |
4 |
0 |
0.000 |
35 |
|
D |
26 |
10 |
12719 |
◊ |
J |
x,y,z-1 |
1_554 |
29 |
11 |
12672 |
255.9 |
-3.1 |
0.316 |
2 |
4 |
0 |
0.000 |
Average: |
257.0 |
-3.3 |
0.304 |
2 |
4 |
0 |
0.000 |
15 |
36 |
|
H |
22 |
6 |
12758 |
◊ |
B |
x,y-1,z |
1_545 |
21 |
10 |
12722 |
175.4 |
-1.8 |
0.452 |
1 |
0 |
0 |
0.000 |
37 |
|
E |
20 |
5 |
12744 |
◊ |
J |
x,y,z-1 |
1_554 |
16 |
7 |
12672 |
154.5 |
-1.5 |
0.475 |
1 |
0 |
0 |
0.000 |
Average: |
165.0 |
-1.7 |
0.464 |
1 |
0 |
0 |
0.000 |
16 |
38 |
|
E |
19 |
8 |
12744 |
◊ |
I |
x-1,y,z-1 |
1_454 |
12 |
4 |
12663 |
168.7 |
-2.4 |
0.301 |
1 |
1 |
0 |
0.000 |
39 |
|
H |
18 |
6 |
12758 |
◊ |
A |
x-1,y-1,z |
1_445 |
12 |
4 |
12708 |
148.9 |
-2.3 |
0.304 |
1 |
1 |
0 |
0.000 |
Average: |
158.8 |
-2.4 |
0.303 |
1 |
1 |
0 |
0.000 |
17 |
40 |
|
[K]K:301 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
12708 |
111.0 |
-55.6 |
0.000 |
0 |
0 |
0 |
0.577 |
41 |
|
[K]H:301 |
1 |
1 |
216 |
f |
I |
x,y,z |
1_555 |
15 |
6 |
12663 |
106.2 |
-54.3 |
0.000 |
0 |
0 |
0 |
0.577 |
42 |
|
[K]I:301 |
1 |
1 |
216 |
f |
J |
x,y,z |
1_555 |
15 |
6 |
12672 |
103.0 |
-54.0 |
0.000 |
0 |
0 |
0 |
0.577 |
43 |
|
[K]C:301 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
12719 |
102.2 |
-47.8 |
0.000 |
0 |
0 |
0 |
0.577 |
44 |
|
[K]F:301 |
1 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
15 |
6 |
12692 |
102.0 |
-52.1 |
0.000 |
0 |
0 |
0 |
0.577 |
45 |
|
[K]G:301 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
15 |
6 |
12758 |
102.0 |
-49.1 |
0.000 |
0 |
0 |
0 |
0.577 |
46 |
|
[K]A:301 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
12722 |
101.1 |
-52.3 |
0.000 |
0 |
0 |
0 |
0.577 |
47 |
|
[K]B:301 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
12668 |
100.7 |
-49.1 |
0.000 |
0 |
0 |
0 |
0.577 |
48 |
|
[K]E:301 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
14 |
6 |
12749 |
100.6 |
-52.3 |
0.000 |
0 |
0 |
0 |
0.577 |
49 |
|
[K]D:301 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
15 |
6 |
12744 |
98.6 |
-48.8 |
0.000 |
0 |
0 |
0 |
0.577 |
Average: |
102.7 |
-51.5 |
0.000 |
0 |
0 |
0 |
0.577 |
18 |
50 |
|
[K]C:301 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
13 |
3 |
10240 |
71.4 |
-38.4 |
0.000 |
0 |
0 |
0 |
0.368 |
19 |
51 |
|
[K]D:301 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
14 |
3 |
10240 |
71.4 |
-38.8 |
0.000 |
0 |
0 |
0 |
0.376 |
20 |
52 |
|
[K]B:301 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
14 |
2 |
10240 |
70.5 |
-36.8 |
0.000 |
0 |
0 |
0 |
0.356 |
21 |
53 |
|
[K]G:301 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
14 |
3 |
10240 |
69.1 |
-37.4 |
0.000 |
0 |
0 |
0 |
0.355 |
22 |
54 |
|
[K]E:301 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
11 |
2 |
10240 |
65.9 |
-35.7 |
0.000 |
0 |
0 |
0 |
0.347 |
23 |
55 |
|
[K]F:301 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
11 |
3 |
10240 |
65.6 |
-35.7 |
0.000 |
0 |
0 |
0 |
0.348 |
24 |
56 |
|
[K]I:301 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
12 |
3 |
10240 |
63.2 |
-33.3 |
0.000 |
0 |
0 |
0 |
0.323 |
25 |
57 |
|
[K]A:301 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
15 |
2 |
10240 |
63.0 |
-33.5 |
0.000 |
0 |
0 |
0 |
0.326 |
26 |
58 |
|
[K]H:301 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
13 |
2 |
10240 |
61.5 |
-32.8 |
0.000 |
0 |
0 |
0 |
0.322 |
27 |
59 |
|
D |
10 |
5 |
12719 |
◊ |
J |
x-1,y,z-1 |
1_454 |
5 |
2 |
12672 |
58.5 |
0.4 |
0.688 |
0 |
0 |
0 |
0.000 |
60 |
|
G |
10 |
5 |
12692 |
◊ |
B |
x-1,y-1,z |
1_445 |
5 |
2 |
12722 |
51.0 |
0.4 |
0.699 |
0 |
0 |
0 |
0.000 |
Average: |
54.7 |
0.4 |
0.694 |
0 |
0 |
0 |
0.000 |
28 |
61 |
|
[K]K:301 |
1 |
1 |
216 |
◊ |
K |
x,y,z |
1_555 |
4 |
2 |
12701 |
52.4 |
-24.7 |
0.000 |
0 |
0 |
0 |
0.180 |
62 |
|
[K]I:301 |
1 |
1 |
216 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
12663 |
46.9 |
-21.6 |
0.000 |
0 |
0 |
0 |
0.180 |
63 |
|
[K]F:301 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
12749 |
46.6 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.180 |
64 |
|
[K]A:301 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
12708 |
46.0 |
-21.7 |
0.000 |
0 |
0 |
0 |
0.180 |
65 |
|
[K]H:301 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
12758 |
45.4 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.180 |
66 |
|
[K]C:301 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
12668 |
44.1 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.180 |
67 |
|
[K]G:301 |
1 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
12692 |
43.5 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.180 |
68 |
|
[K]B:301 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
12722 |
43.5 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.180 |
69 |
|
[K]D:301 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
12719 |
43.1 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.180 |
70 |
|
[K]E:301 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
12744 |
41.2 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.180 |
Average: |
45.3 |
-21.0 |
0.000 |
0 |
0 |
0 |
0.180 |
29 |
71 |
|
[K]K:301 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
8 |
2 |
10240 |
51.9 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.138 |
30 |
72 |
|
D |
6 |
1 |
12719 |
◊ |
L |
x,y,z-1 |
1_554 |
8 |
3 |
10240 |
50.8 |
-2.3 |
0.503 |
1 |
0 |
0 |
0.000 |
31 |
73 |
|
C |
4 |
3 |
12668 |
◊ |
K |
x,y,z-1 |
1_554 |
9 |
4 |
12701 |
42.0 |
-0.4 |
0.529 |
0 |
0 |
0 |
0.000 |
74 |
|
F |
4 |
3 |
12749 |
◊ |
C |
x,y-1,z |
1_545 |
9 |
4 |
12668 |
35.0 |
-0.3 |
0.549 |
0 |
0 |
0 |
0.000 |
Average: |
38.5 |
-0.4 |
0.539 |
0 |
0 |
0 |
0.000 |
32 |
75 |
|
E |
3 |
2 |
12744 |
◊ |
J |
x-1,y,z-1 |
1_454 |
3 |
1 |
12672 |
40.3 |
-0.4 |
0.340 |
0 |
0 |
0 |
0.000 |
76 |
|
H |
3 |
2 |
12758 |
◊ |
B |
x-1,y-1,z |
1_445 |
3 |
1 |
12722 |
37.2 |
-0.3 |
0.371 |
0 |
0 |
0 |
0.000 |
Average: |
38.7 |
-0.3 |
0.356 |
0 |
0 |
0 |
0.000 |
33 |
77 |
|
G |
4 |
1 |
12692 |
◊ |
L |
x,y-1,z |
1_545 |
5 |
4 |
10240 |
39.4 |
-1.9 |
0.456 |
1 |
0 |
0 |
0.000 |
34 |
78 |
|
B |
3 |
1 |
12722 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
2 |
12708 |
33.0 |
-0.0 |
0.548 |
1 |
0 |
0 |
0.000 |
79 |
|
G |
3 |
1 |
12692 |
◊ |
F |
x-1,y,z |
1_455 |
2 |
2 |
12749 |
31.0 |
0.0 |
0.563 |
0 |
0 |
0 |
0.000 |
80 |
|
J |
3 |
1 |
12672 |
◊ |
I |
x-1,y,z |
1_455 |
2 |
2 |
12663 |
30.5 |
0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
81 |
|
F |
3 |
1 |
12749 |
◊ |
E |
x-1,y,z |
1_455 |
2 |
2 |
12744 |
28.6 |
0.0 |
0.547 |
0 |
0 |
0 |
0.000 |
82 |
|
A |
3 |
1 |
12708 |
◊ |
K |
x-1,y,z |
1_455 |
2 |
2 |
12701 |
26.4 |
0.1 |
0.601 |
0 |
0 |
0 |
0.000 |
83 |
|
C |
3 |
1 |
12668 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
2 |
12722 |
25.9 |
0.1 |
0.561 |
0 |
0 |
0 |
0.000 |
84 |
|
K |
3 |
1 |
12701 |
◊ |
J |
x-1,y,z |
1_455 |
2 |
2 |
12672 |
25.4 |
0.1 |
0.601 |
0 |
0 |
0 |
0.000 |
85 |
|
I |
3 |
1 |
12663 |
◊ |
H |
x-1,y,z |
1_455 |
2 |
2 |
12758 |
25.3 |
0.1 |
0.620 |
0 |
0 |
0 |
0.000 |
86 |
|
D |
3 |
1 |
12719 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
2 |
12668 |
24.8 |
0.1 |
0.569 |
0 |
0 |
0 |
0.000 |
87 |
|
H |
3 |
1 |
12758 |
◊ |
G |
x-1,y,z |
1_455 |
2 |
2 |
12692 |
21.2 |
0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
88 |
|
E |
3 |
1 |
12744 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
12719 |
20.8 |
0.2 |
0.614 |
0 |
0 |
0 |
0.000 |
Average: |
26.6 |
0.1 |
0.583 |
0 |
0 |
0 |
0.000 |
35 |
89 |
|
G |
2 |
2 |
12692 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
1 |
12668 |
12.7 |
-0.2 |
0.501 |
0 |
0 |
0 |
0.000 |
90 |
|
D |
1 |
1 |
12719 |
◊ |
K |
x,y,z-1 |
1_554 |
1 |
1 |
12701 |
2.0 |
-0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
Average: |
7.3 |
-0.1 |
0.553 |
0 |
0 |
0 |
0.000 |
36 |
91 |
|
D |
3 |
1 |
12719 |
◊ |
K |
x-1,y,z-1 |
1_454 |
3 |
1 |
12701 |
12.6 |
0.2 |
0.683 |
0 |
0 |
0 |
0.000 |
92 |
|
G |
2 |
1 |
12692 |
◊ |
C |
x-1,y-1,z |
1_445 |
3 |
1 |
12668 |
10.4 |
0.1 |
0.686 |
0 |
0 |
0 |
0.000 |
Average: |
11.5 |
0.1 |
0.684 |
0 |
0 |
0 |
0.000 |
37 |
93 |
|
I |
1 |
1 |
12663 |
◊ |
A |
x-1,y-1,z |
1_445 |
2 |
1 |
12708 |
10.8 |
0.5 |
0.840 |
0 |
0 |
0 |
0.000 |
94 |
|
F |
1 |
1 |
12749 |
◊ |
I |
x-1,y,z-1 |
1_454 |
2 |
1 |
12663 |
6.2 |
0.2 |
0.775 |
0 |
0 |
0 |
0.000 |
Average: |
8.5 |
0.4 |
0.808 |
0 |
0 |
0 |
0.000 |
38 |
95 |
|
C |
1 |
1 |
12668 |
◊ |
J |
x,y,z-1 |
1_554 |
1 |
1 |
12672 |
9.4 |
-0.0 |
0.459 |
0 |
0 |
0 |
0.000 |
96 |
|
F |
1 |
1 |
12749 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
12722 |
3.4 |
-0.0 |
0.572 |
0 |
0 |
0 |
0.000 |
Average: |
6.4 |
-0.0 |
0.515 |
0 |
0 |
0 |
0.000 |
|