| ## |
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 |
|
T |
65 |
18 |
5341 |
◊ |
S |
x,y,z |
1_555 |
51 |
16 |
5601 |
589.2 |
-0.2 |
0.499 |
12 |
11 |
0 |
0.152 |
2 |
|
F |
56 |
16 |
5310 |
◊ |
E |
x,y,z |
1_555 |
57 |
17 |
5579 |
578.8 |
-1.6 |
0.499 |
14 |
13 |
0 |
0.152 |
3 |
|
N |
62 |
17 |
5280 |
◊ |
M |
x,y,z |
1_555 |
55 |
17 |
5651 |
575.6 |
-0.6 |
0.492 |
14 |
12 |
0 |
0.152 |
4 |
|
V |
60 |
16 |
5258 |
◊ |
U |
x,y,z |
1_555 |
55 |
17 |
5645 |
574.6 |
-0.6 |
0.495 |
14 |
10 |
0 |
0.152 |
5 |
|
B |
60 |
17 |
5288 |
◊ |
A |
x,y,z |
1_555 |
51 |
16 |
5585 |
570.6 |
-1.0 |
0.503 |
13 |
13 |
0 |
0.152 |
6 |
|
X |
57 |
16 |
5538 |
◊ |
W |
x,y,z |
1_555 |
52 |
16 |
5530 |
569.1 |
-3.1 |
0.419 |
11 |
12 |
0 |
0.152 |
7 |
|
H |
59 |
16 |
5262 |
◊ |
G |
x,y,z |
1_555 |
54 |
16 |
5543 |
567.1 |
-1.3 |
0.501 |
12 |
11 |
0 |
0.152 |
8 |
|
R |
60 |
17 |
5236 |
◊ |
Q |
x,y,z |
1_555 |
53 |
17 |
5584 |
567.0 |
-1.1 |
0.526 |
12 |
11 |
0 |
0.152 |
9 |
|
P |
56 |
16 |
5106 |
◊ |
O |
x,y,z |
1_555 |
53 |
16 |
5595 |
562.2 |
-1.5 |
0.512 |
14 |
14 |
0 |
0.152 |
10 |
|
D |
57 |
15 |
5274 |
◊ |
C |
x,y,z |
1_555 |
53 |
16 |
5581 |
561.5 |
-1.8 |
0.390 |
14 |
12 |
0 |
0.152 |
11 |
|
J |
59 |
17 |
5452 |
◊ |
I |
x,y,z |
1_555 |
56 |
17 |
5602 |
561.1 |
-2.0 |
0.399 |
14 |
12 |
0 |
0.152 |
12 |
|
L |
58 |
16 |
5353 |
◊ |
K |
x,y,z |
1_555 |
51 |
15 |
5603 |
559.2 |
-1.7 |
0.426 |
12 |
11 |
0 |
0.152 |
| Average: |
569.7 |
-1.4 |
0.472 |
13 |
12 |
0 |
0.152 |
| 2 |
13 |
|
X |
59 |
14 |
5538 |
◊ |
O |
x,y,z |
1_555 |
61 |
23 |
5595 |
569.9 |
-5.0 |
0.406 |
3 |
2 |
0 |
0.000 |
14 |
|
B |
53 |
16 |
5288 |
◊ |
S |
x,y,z |
1_555 |
50 |
16 |
5601 |
498.6 |
-4.9 |
0.340 |
2 |
2 |
0 |
0.000 |
| Average: |
534.3 |
-5.0 |
0.373 |
3 |
2 |
0 |
0.000 |
| 3 |
15 |
|
J |
55 |
16 |
5452 |
◊ |
Q |
x,y,z |
1_555 |
58 |
17 |
5584 |
555.8 |
-1.9 |
0.528 |
7 |
5 |
0 |
0.000 |
16 |
|
D |
50 |
14 |
5274 |
◊ |
E |
x,y,z |
1_555 |
56 |
20 |
5579 |
540.9 |
-3.1 |
0.448 |
4 |
4 |
0 |
0.000 |
17 |
|
L |
51 |
16 |
5353 |
◊ |
M |
x,y,z |
1_555 |
52 |
18 |
5651 |
529.6 |
-2.8 |
0.482 |
4 |
1 |
0 |
0.000 |
| Average: |
542.1 |
-2.6 |
0.486 |
5 |
3 |
0 |
0.000 |
| 4 |
18 |
|
U |
51 |
17 |
5645 |
◊ |
H |
x-1/2,-y-1/2,-z |
3_445 |
48 |
16 |
5262 |
483.1 |
-4.1 |
0.370 |
4 |
1 |
0 |
0.000 |
| 5 |
19 |
|
G |
37 |
13 |
5543 |
◊ |
I |
-x+1,y-1/2,-z+1/2 |
4_645 |
42 |
13 |
5602 |
365.8 |
-1.8 |
0.540 |
7 |
4 |
0 |
0.000 |
| 6 |
20 |
|
L |
35 |
10 |
5353 |
◊ |
A |
x,y,z |
1_555 |
30 |
10 |
5585 |
300.8 |
-0.9 |
0.509 |
3 |
0 |
0 |
0.000 |
21 |
|
D |
27 |
9 |
5274 |
◊ |
W |
-x,y-1/2,-z+1/2 |
4_545 |
27 |
9 |
5530 |
239.0 |
-1.5 |
0.479 |
3 |
0 |
0 |
0.000 |
| Average: |
269.9 |
-1.2 |
0.494 |
3 |
0 |
0 |
0.000 |
| 7 |
22 |
|
S |
24 |
11 |
5601 |
◊ |
I |
-x+1/2,-y,z-1/2 |
2_554 |
24 |
11 |
5602 |
259.1 |
0.1 |
0.677 |
0 |
0 |
0 |
0.000 |
23 |
|
Q |
21 |
11 |
5584 |
◊ |
C |
x,y,z |
1_555 |
24 |
11 |
5581 |
250.8 |
0.1 |
0.692 |
1 |
0 |
0 |
0.000 |
24 |
|
U |
22 |
10 |
5645 |
◊ |
G |
x-1,y,z |
1_455 |
22 |
10 |
5543 |
238.6 |
-0.4 |
0.631 |
0 |
0 |
0 |
0.000 |
25 |
|
E |
21 |
10 |
5579 |
◊ |
A |
x,y,z |
1_555 |
21 |
11 |
5585 |
235.9 |
-0.2 |
0.655 |
0 |
0 |
0 |
0.000 |
26 |
|
W |
21 |
9 |
5530 |
◊ |
M |
x-1,y,z |
1_455 |
18 |
9 |
5651 |
219.1 |
-1.4 |
0.501 |
0 |
0 |
0 |
0.000 |
27 |
|
O |
20 |
10 |
5595 |
◊ |
K |
x,y,z |
1_555 |
19 |
9 |
5603 |
218.6 |
-1.7 |
0.454 |
0 |
0 |
0 |
0.000 |
| Average: |
237.0 |
-0.6 |
0.602 |
0 |
0 |
0 |
0.000 |
| 8 |
28 |
|
C |
28 |
10 |
5581 |
◊ |
W |
-x,y-1/2,-z+1/2 |
4_545 |
29 |
10 |
5530 |
235.5 |
-2.6 |
0.425 |
0 |
0 |
0 |
0.000 |
29 |
|
K |
23 |
7 |
5603 |
◊ |
A |
x,y,z |
1_555 |
26 |
10 |
5585 |
199.8 |
-1.4 |
0.531 |
0 |
0 |
0 |
0.000 |
| Average: |
217.7 |
-2.0 |
0.478 |
0 |
0 |
0 |
0.000 |
| 9 |
30 |
|
H |
30 |
11 |
5262 |
◊ |
I |
-x+1,y-1/2,-z+1/2 |
4_645 |
21 |
6 |
5602 |
207.1 |
-0.9 |
0.530 |
1 |
0 |
0 |
0.000 |
| 10 |
31 |
|
S |
25 |
8 |
5601 |
◊ |
J |
-x+1/2,-y,z-1/2 |
2_554 |
19 |
8 |
5452 |
202.8 |
-0.3 |
0.567 |
1 |
0 |
0 |
0.000 |
32 |
|
L |
25 |
8 |
5353 |
◊ |
O |
x,y,z |
1_555 |
25 |
8 |
5595 |
202.0 |
-0.5 |
0.596 |
1 |
0 |
0 |
0.000 |
33 |
|
T |
22 |
8 |
5341 |
◊ |
I |
-x+1/2,-y,z-1/2 |
2_554 |
22 |
7 |
5602 |
198.2 |
-1.6 |
0.421 |
1 |
0 |
0 |
0.000 |
34 |
|
R |
21 |
8 |
5236 |
◊ |
C |
x,y,z |
1_555 |
23 |
7 |
5581 |
196.0 |
-0.0 |
0.651 |
3 |
0 |
0 |
0.000 |
35 |
|
D |
20 |
7 |
5274 |
◊ |
Q |
x,y,z |
1_555 |
23 |
7 |
5584 |
192.6 |
0.3 |
0.658 |
3 |
0 |
0 |
0.000 |
36 |
|
X |
19 |
7 |
5538 |
◊ |
M |
x-1,y,z |
1_455 |
21 |
7 |
5651 |
187.5 |
1.4 |
0.791 |
2 |
0 |
0 |
0.000 |
37 |
|
W |
23 |
8 |
5530 |
◊ |
N |
x-1,y,z |
1_455 |
18 |
6 |
5280 |
186.8 |
-0.4 |
0.588 |
2 |
0 |
0 |
0.000 |
38 |
|
V |
22 |
7 |
5258 |
◊ |
G |
x-1,y,z |
1_455 |
21 |
7 |
5543 |
186.3 |
-0.2 |
0.617 |
1 |
0 |
0 |
0.000 |
39 |
|
F |
21 |
7 |
5310 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
5585 |
182.3 |
1.5 |
0.781 |
2 |
0 |
0 |
0.000 |
40 |
|
B |
20 |
6 |
5288 |
◊ |
E |
x,y,z |
1_555 |
23 |
8 |
5579 |
179.8 |
-0.8 |
0.563 |
1 |
0 |
0 |
0.000 |
41 |
|
U |
20 |
6 |
5645 |
◊ |
H |
x-1,y,z |
1_455 |
19 |
7 |
5262 |
178.3 |
-0.0 |
0.630 |
0 |
0 |
0 |
0.000 |
42 |
|
P |
17 |
6 |
5106 |
◊ |
K |
x,y,z |
1_555 |
20 |
7 |
5603 |
162.9 |
1.6 |
0.769 |
2 |
0 |
0 |
0.000 |
| Average: |
188.0 |
0.1 |
0.636 |
2 |
0 |
0 |
0.000 |
| 11 |
43 |
|
G |
24 |
10 |
5543 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
4_645 |
30 |
12 |
5452 |
196.9 |
-0.6 |
0.569 |
1 |
2 |
0 |
0.000 |
| 12 |
44 |
|
S |
18 |
7 |
5601 |
◊ |
K |
x-1/2,-y+1/2,-z |
3_455 |
19 |
7 |
5603 |
184.5 |
-1.7 |
0.417 |
3 |
0 |
0 |
0.000 |
45 |
|
I |
18 |
7 |
5602 |
◊ |
O |
-x+1,y-1/2,-z+1/2 |
4_645 |
16 |
5 |
5595 |
182.9 |
-1.2 |
0.479 |
4 |
0 |
0 |
0.000 |
46 |
|
C |
13 |
4 |
5581 |
◊ |
M |
x-1,y,z |
1_455 |
15 |
5 |
5651 |
178.8 |
-1.3 |
0.450 |
4 |
0 |
0 |
0.000 |
47 |
|
W |
16 |
4 |
5530 |
◊ |
Q |
x,y,z |
1_555 |
17 |
7 |
5584 |
178.1 |
-1.2 |
0.479 |
4 |
0 |
0 |
0.000 |
48 |
|
U |
15 |
5 |
5645 |
◊ |
A |
x-1,y,z |
1_455 |
16 |
5 |
5585 |
173.6 |
-1.1 |
0.495 |
4 |
0 |
0 |
0.000 |
49 |
|
G |
13 |
4 |
5543 |
◊ |
E |
x,y,z |
1_555 |
15 |
4 |
5579 |
162.7 |
-1.2 |
0.457 |
4 |
0 |
0 |
0.000 |
| Average: |
176.8 |
-1.3 |
0.463 |
4 |
0 |
0 |
0.000 |
| 13 |
50 |
|
T |
26 |
8 |
5341 |
◊ |
U |
x,y,z |
1_555 |
17 |
5 |
5645 |
182.6 |
1.7 |
0.712 |
3 |
0 |
0 |
0.000 |
| 14 |
51 |
|
C |
12 |
6 |
5581 |
◊ |
X |
-x,y-1/2,-z+1/2 |
4_545 |
27 |
8 |
5538 |
154.5 |
-0.4 |
0.581 |
0 |
0 |
0 |
0.000 |
52 |
|
B |
28 |
8 |
5288 |
◊ |
K |
x,y,z |
1_555 |
12 |
5 |
5603 |
132.7 |
-0.1 |
0.627 |
1 |
0 |
0 |
0.000 |
| Average: |
143.6 |
-0.3 |
0.604 |
1 |
0 |
0 |
0.000 |
| 15 |
53 |
|
R |
13 |
5 |
5236 |
◊ |
O |
-x,y-1/2,-z+1/2 |
4_545 |
17 |
3 |
5595 |
120.5 |
0.1 |
0.662 |
0 |
0 |
0 |
0.000 |
| 16 |
54 |
|
[EDO]H:201 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
24 |
10 |
5262 |
117.5 |
3.7 |
0.626 |
4 |
0 |
0 |
0.000 |
| 17 |
55 |
|
[EDO]M:201 |
4 |
1 |
186 |
◊ |
M |
x,y,z |
1_555 |
21 |
8 |
5651 |
112.5 |
3.1 |
0.466 |
3 |
0 |
0 |
0.000 |
| 18 |
56 |
|
[EDO]X:201 |
4 |
1 |
183 |
f |
X |
x,y,z |
1_555 |
15 |
7 |
5538 |
109.4 |
3.8 |
0.632 |
1 |
0 |
0 |
0.000 |
| 19 |
57 |
|
P |
11 |
5 |
5106 |
◊ |
S |
x,y,z |
1_555 |
11 |
3 |
5601 |
99.2 |
0.4 |
0.663 |
0 |
0 |
0 |
0.000 |
| 20 |
58 |
|
[EDO]O:201 |
4 |
1 |
184 |
f |
O |
x,y,z |
1_555 |
16 |
5 |
5595 |
88.4 |
1.9 |
0.243 |
3 |
0 |
0 |
0.000 |
| 21 |
59 |
|
T |
9 |
4 |
5341 |
◊ |
H |
x-1/2,-y-1/2,-z |
3_445 |
11 |
3 |
5262 |
85.7 |
1.7 |
0.810 |
2 |
0 |
0 |
0.000 |
| 22 |
60 |
|
F |
10 |
3 |
5310 |
◊ |
M |
x,y,z |
1_555 |
10 |
2 |
5651 |
75.0 |
-0.3 |
0.487 |
0 |
0 |
0 |
0.000 |
61 |
|
E |
7 |
2 |
5579 |
◊ |
N |
-x+1,y-1/2,-z+1/2 |
4_645 |
7 |
2 |
5280 |
59.0 |
0.5 |
0.599 |
0 |
0 |
0 |
0.000 |
| Average: |
67.0 |
0.1 |
0.543 |
0 |
0 |
0 |
0.000 |
| 23 |
62 |
|
F |
7 |
3 |
5310 |
◊ |
N |
-x+1,y-1/2,-z+1/2 |
4_645 |
7 |
1 |
5280 |
48.3 |
-0.4 |
0.444 |
0 |
0 |
0 |
0.000 |
| 24 |
63 |
|
V |
6 |
3 |
5258 |
◊ |
Q |
-x,y-1/2,-z+1/2 |
4_545 |
4 |
2 |
5584 |
40.6 |
-0.7 |
0.398 |
0 |
0 |
0 |
0.000 |
| 25 |
64 |
|
F |
2 |
2 |
5310 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
5274 |
37.8 |
0.3 |
0.466 |
0 |
0 |
0 |
0.000 |
65 |
|
N |
3 |
2 |
5280 |
◊ |
L |
x,y,z |
1_555 |
3 |
2 |
5353 |
29.5 |
0.4 |
0.583 |
0 |
0 |
0 |
0.000 |
66 |
|
R |
3 |
3 |
5236 |
◊ |
J |
x,y,z |
1_555 |
3 |
3 |
5452 |
21.2 |
0.3 |
0.630 |
0 |
0 |
0 |
0.000 |
67 |
|
T |
2 |
2 |
5341 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
5288 |
10.4 |
0.1 |
0.587 |
0 |
0 |
0 |
0.000 |
| Average: |
24.7 |
0.3 |
0.567 |
0 |
0 |
0 |
0.000 |
| 26 |
68 |
|
[EDO]O:201 |
3 |
1 |
184 |
◊ |
K |
x,y,z |
1_555 |
4 |
2 |
5603 |
30.9 |
1.2 |
0.902 |
1 |
0 |
0 |
0.000 |
| 27 |
69 |
|
V |
3 |
3 |
5258 |
◊ |
H |
x-1/2,-y-1/2,-z |
3_445 |
4 |
3 |
5262 |
19.3 |
0.2 |
0.598 |
0 |
0 |
0 |
0.000 |
| 28 |
70 |
|
[EDO]H:201 |
2 |
1 |
184 |
f |
I |
-x+1,y-1/2,-z+1/2 |
4_645 |
1 |
1 |
5602 |
6.5 |
0.2 |
0.880 |
0 |
0 |
0 |
0.000 |
| 29 |
71 |
|
R |
3 |
1 |
5236 |
◊ |
P |
-x,y-1/2,-z+1/2 |
4_545 |
1 |
1 |
5106 |
6.2 |
0.0 |
0.645 |
0 |
0 |
0 |
0.000 |
| 30 |
72 |
|
[EDO]M:201 |
1 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
2 |
2 |
5353 |
3.9 |
0.1 |
0.763 |
0 |
0 |
0 |
0.000 |
|