## |
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 |
|
F |
99 |
27 |
12299 |
◊ |
E |
x,y,z |
1_555 |
101 |
26 |
12567 |
977.2 |
-12.7 |
0.076 |
7 |
8 |
0 |
0.750 |
2 |
|
B |
95 |
25 |
12558 |
◊ |
A |
x,y,z |
1_555 |
98 |
25 |
12412 |
958.6 |
-10.8 |
0.122 |
8 |
10 |
0 |
0.750 |
Average: |
967.9 |
-11.8 |
0.099 |
8 |
9 |
0 |
0.750 |
2 |
3 |
|
G |
65 |
10 |
1658 |
◊ |
E |
x,y,z |
1_555 |
79 |
29 |
12567 |
743.4 |
-6.5 |
0.604 |
15 |
0 |
0 |
1.000 |
4 |
|
C |
62 |
9 |
1554 |
◊ |
A |
x,y,z |
1_555 |
77 |
28 |
12412 |
714.3 |
-9.3 |
0.528 |
12 |
0 |
0 |
1.000 |
5 |
|
D |
62 |
9 |
1527 |
◊ |
B |
x,y,z |
1_555 |
76 |
28 |
12558 |
710.8 |
-9.0 |
0.530 |
13 |
0 |
0 |
1.000 |
6 |
|
H |
60 |
10 |
1632 |
◊ |
F |
x,y,z |
1_555 |
76 |
29 |
12299 |
698.8 |
-7.1 |
0.577 |
14 |
0 |
0 |
1.000 |
Average: |
716.8 |
-8.0 |
0.560 |
14 |
0 |
0 |
1.000 |
3 |
7 |
|
F |
74 |
21 |
12299 |
◊ |
E |
x,y-1,z |
1_545 |
74 |
22 |
12567 |
652.0 |
-2.6 |
0.505 |
1 |
2 |
0 |
0.000 |
8 |
|
A |
68 |
21 |
12412 |
◊ |
B |
x-1,y-1,z |
1_445 |
65 |
20 |
12558 |
574.2 |
-3.6 |
0.425 |
0 |
0 |
0 |
0.000 |
Average: |
613.1 |
-3.1 |
0.465 |
1 |
1 |
0 |
0.000 |
4 |
9 |
|
F |
58 |
17 |
12299 |
◊ |
A |
x,y,z-1 |
1_554 |
48 |
15 |
12412 |
439.6 |
0.1 |
0.679 |
0 |
1 |
0 |
0.000 |
10 |
|
E |
42 |
13 |
12567 |
◊ |
B |
x,y,z-1 |
1_554 |
54 |
17 |
12558 |
411.7 |
-0.2 |
0.597 |
0 |
1 |
0 |
0.000 |
Average: |
425.7 |
-0.0 |
0.638 |
0 |
1 |
0 |
0.000 |
5 |
11 |
|
A |
48 |
16 |
12412 |
◊ |
E |
x-1,y-1,z |
1_445 |
42 |
10 |
12567 |
406.9 |
-0.2 |
0.628 |
2 |
3 |
0 |
0.004 |
6 |
12 |
|
F |
31 |
12 |
12299 |
◊ |
B |
x,y,z |
1_555 |
34 |
10 |
12558 |
260.6 |
-0.8 |
0.490 |
0 |
2 |
0 |
0.030 |
7 |
13 |
|
E |
23 |
7 |
12567 |
◊ |
F |
x-1,y,z |
1_455 |
23 |
6 |
12299 |
199.7 |
-0.6 |
0.541 |
0 |
1 |
0 |
0.000 |
14 |
|
A |
21 |
7 |
12412 |
◊ |
B |
x-1,y,z |
1_455 |
20 |
6 |
12558 |
172.1 |
0.5 |
0.654 |
1 |
1 |
0 |
0.000 |
Average: |
185.9 |
-0.1 |
0.598 |
1 |
1 |
0 |
0.000 |
8 |
15 |
|
[1PE]B:302 |
16 |
1 |
462 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
12558 |
190.7 |
0.3 |
0.697 |
2 |
0 |
0 |
0.017 |
9 |
16 |
|
[1PE]F:303 |
16 |
1 |
449 |
f |
F |
x,y,z |
1_555 |
21 |
8 |
12299 |
184.3 |
-1.6 |
0.575 |
5 |
0 |
0 |
0.213 |
10 |
17 |
|
E |
14 |
8 |
12567 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
12558 |
161.9 |
1.5 |
0.742 |
2 |
1 |
0 |
0.000 |
11 |
18 |
|
A |
21 |
11 |
12412 |
◊ |
B |
x,y-1,z |
1_545 |
23 |
11 |
12558 |
147.8 |
1.5 |
0.782 |
1 |
0 |
0 |
0.000 |
19 |
|
F |
9 |
6 |
12299 |
◊ |
E |
x-1,y-1,z |
1_445 |
5 |
3 |
12567 |
18.8 |
-0.2 |
0.570 |
0 |
0 |
0 |
0.000 |
Average: |
83.3 |
0.7 |
0.676 |
1 |
0 |
0 |
0.000 |
12 |
20 |
|
F |
23 |
8 |
12299 |
◊ |
A |
x,y,z |
1_555 |
15 |
8 |
12412 |
139.9 |
0.8 |
0.688 |
0 |
2 |
0 |
0.000 |
13 |
21 |
|
[PEG]A:303 |
7 |
1 |
262 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
12412 |
138.8 |
3.1 |
0.369 |
1 |
0 |
0 |
0.000 |
14 |
22 |
|
[PEG]E:303 |
7 |
1 |
258 |
◊ |
E |
x,y,z |
1_555 |
19 |
6 |
12567 |
137.2 |
3.1 |
0.338 |
1 |
0 |
0 |
0.000 |
15 |
23 |
|
[PEG]F:302 |
7 |
1 |
262 |
f |
F |
x,y,z |
1_555 |
26 |
9 |
12299 |
133.2 |
3.0 |
0.330 |
1 |
0 |
0 |
0.000 |
16 |
24 |
|
[PEG]E:302 |
7 |
1 |
260 |
f |
E |
x,y,z |
1_555 |
25 |
9 |
12567 |
132.8 |
2.3 |
0.286 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
[PEG]A:302 |
7 |
1 |
259 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
12412 |
128.6 |
2.7 |
0.372 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[1PE]B:302 |
9 |
1 |
462 |
f |
A |
x,y,z |
1_555 |
18 |
4 |
12412 |
123.1 |
-3.6 |
0.224 |
0 |
0 |
0 |
0.123 |
19 |
27 |
|
[1PE]F:303 |
11 |
1 |
449 |
◊ |
E |
x,y,z |
1_555 |
18 |
4 |
12567 |
120.2 |
-1.5 |
0.366 |
0 |
0 |
0 |
0.067 |
20 |
28 |
|
[ETF]E:301 |
6 |
1 |
208 |
f |
B |
x,y,z-1 |
1_554 |
16 |
6 |
12558 |
98.5 |
2.3 |
0.240 |
3 |
0 |
0 |
0.000 |
21 |
29 |
|
[ETF]F:301 |
6 |
1 |
208 |
f |
F |
x,y,z |
1_555 |
19 |
8 |
12299 |
98.0 |
2.4 |
0.288 |
2 |
0 |
0 |
0.000 |
22 |
30 |
|
[EDO]B:303 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
12558 |
90.6 |
2.4 |
0.270 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[EDO]F:304 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
15 |
6 |
12299 |
85.3 |
2.5 |
0.459 |
1 |
0 |
0 |
0.000 |
24 |
32 |
|
[ETF]F:301 |
5 |
1 |
208 |
◊ |
A |
x,y,z-1 |
1_554 |
9 |
3 |
12412 |
69.5 |
1.6 |
0.233 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
[PEG]A:302 |
7 |
1 |
259 |
f |
F |
x,y,z |
1_555 |
15 |
3 |
12299 |
69.3 |
1.0 |
0.205 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[ETF]E:301 |
4 |
1 |
208 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
12567 |
66.4 |
1.3 |
0.266 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
[MG]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
12558 |
55.9 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.417 |
36 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
12412 |
46.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.417 |
37 |
|
[MG]F:300 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
6 |
12299 |
46.1 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.417 |
Average: |
49.5 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.417 |
28 |
38 |
|
[EDO]F:304 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
12567 |
52.4 |
1.7 |
0.870 |
0 |
0 |
0 |
0.000 |
29 |
39 |
|
[MG]E:300 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
12567 |
43.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.474 |
40 |
|
[MG]A:300 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12412 |
43.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.474 |
Average: |
43.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.474 |
30 |
41 |
|
A |
8 |
5 |
12412 |
◊ |
F |
x-1,y-1,z |
1_445 |
3 |
1 |
12299 |
43.3 |
-0.2 |
0.322 |
0 |
0 |
0 |
0.000 |
31 |
42 |
|
A |
6 |
2 |
12412 |
◊ |
E |
x,y-1,z |
1_545 |
4 |
2 |
12567 |
38.9 |
0.3 |
0.676 |
0 |
0 |
0 |
0.000 |
32 |
43 |
|
F |
5 |
3 |
12299 |
◊ |
B |
x,y-1,z-1 |
1_544 |
7 |
3 |
12558 |
37.7 |
-0.9 |
0.328 |
0 |
0 |
0 |
0.000 |
44 |
|
F |
3 |
2 |
12299 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
2 |
2 |
12558 |
20.8 |
-0.7 |
0.236 |
0 |
0 |
0 |
0.000 |
Average: |
29.2 |
-0.8 |
0.282 |
0 |
0 |
0 |
0.000 |
33 |
45 |
|
[PEG]A:302 |
2 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
12558 |
35.5 |
1.5 |
0.542 |
1 |
0 |
0 |
0.000 |
34 |
46 |
|
[MG]A:300 |
1 |
1 |
98 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
3 |
12558 |
25.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
|
[MG]E:300 |
1 |
1 |
98 |
◊ |
F |
x-1,y,z |
1_455 |
4 |
3 |
12299 |
24.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
25.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
48 |
|
[PEG]E:303 |
3 |
1 |
258 |
f |
G |
x,y,z |
1_555 |
3 |
1 |
1658 |
16.9 |
0.4 |
0.292 |
0 |
0 |
0 |
0.000 |
36 |
49 |
|
[MG]B:301 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
12299 |
11.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.028 |
37 |
50 |
|
[PEG]A:303 |
2 |
1 |
262 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
12299 |
10.2 |
-0.0 |
0.278 |
0 |
0 |
0 |
0.000 |
38 |
51 |
|
G |
2 |
1 |
1658 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
12299 |
9.8 |
0.4 |
0.829 |
0 |
0 |
0 |
0.000 |
52 |
|
D |
2 |
1 |
1527 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12412 |
7.3 |
0.2 |
0.785 |
0 |
0 |
0 |
0.000 |
53 |
|
C |
2 |
1 |
1554 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12558 |
4.6 |
0.2 |
0.782 |
0 |
0 |
0 |
0.000 |
54 |
|
H |
2 |
1 |
1632 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
12567 |
0.9 |
0.0 |
0.662 |
0 |
0 |
0 |
0.000 |
Average: |
5.6 |
0.2 |
0.764 |
0 |
0 |
0 |
0.000 |
|