| ## |
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 |
|
B |
181 |
46 |
21048 |
◊ |
A |
x,y,z |
1_555 |
188 |
45 |
20990 |
1748.2 |
-29.5 |
0.003 |
9 |
9 |
0 |
1.000 |
2 |
|
K |
178 |
45 |
21120 |
◊ |
K |
y+1,x-1,-z |
7_645 |
177 |
45 |
21120 |
1647.6 |
-27.9 |
0.005 |
8 |
8 |
0 |
1.000 |
| Average: |
1697.9 |
-28.7 |
0.004 |
9 |
9 |
0 |
1.000 |
| 2 |
3 |
|
M |
144 |
37 |
10457 |
◊ |
K |
x,y,z |
1_555 |
148 |
34 |
21120 |
1434.6 |
-10.2 |
0.192 |
16 |
1 |
0 |
1.000 |
4 |
|
E |
145 |
38 |
10411 |
◊ |
A |
x,y,z |
1_555 |
150 |
35 |
20990 |
1412.6 |
-11.2 |
0.158 |
17 |
1 |
0 |
1.000 |
5 |
|
F |
142 |
36 |
10430 |
◊ |
B |
x,y,z |
1_555 |
150 |
34 |
21048 |
1412.3 |
-11.0 |
0.158 |
13 |
1 |
0 |
1.000 |
| Average: |
1419.9 |
-10.8 |
0.169 |
15 |
1 |
0 |
1.000 |
| 3 |
6 |
|
H |
165 |
20 |
7944 |
◊ |
G |
x,y,z |
1_555 |
174 |
22 |
8619 |
1331.4 |
-5.8 |
0.998 |
45 |
0 |
0 |
1.000 |
| 4 |
7 |
|
N |
159 |
19 |
7757 |
◊ |
N |
y+1,x-1,-z |
7_645 |
156 |
19 |
7757 |
1259.1 |
-5.2 |
0.997 |
42 |
0 |
0 |
1.000 |
| 5 |
8 |
|
N |
140 |
17 |
7757 |
◊ |
K |
y+1,x-1,-z |
7_645 |
135 |
39 |
21120 |
1205.4 |
-17.8 |
0.709 |
19 |
0 |
0 |
1.000 |
9 |
|
G |
132 |
15 |
8619 |
◊ |
B |
x,y,z |
1_555 |
125 |
36 |
21048 |
1155.5 |
-14.9 |
0.816 |
20 |
0 |
0 |
1.000 |
| Average: |
1180.5 |
-16.3 |
0.763 |
20 |
0 |
0 |
1.000 |
| 6 |
10 |
|
H |
136 |
15 |
7944 |
◊ |
A |
x,y,z |
1_555 |
126 |
36 |
20990 |
1137.3 |
-15.5 |
0.783 |
18 |
0 |
0 |
1.000 |
| 7 |
11 |
|
D |
78 |
18 |
6615 |
◊ |
B |
x,y,z |
1_555 |
91 |
28 |
21048 |
786.8 |
-7.5 |
0.131 |
5 |
1 |
0 |
0.340 |
12 |
|
C |
81 |
19 |
6661 |
◊ |
A |
x,y,z |
1_555 |
91 |
27 |
20990 |
785.4 |
-7.2 |
0.151 |
5 |
2 |
0 |
0.340 |
13 |
|
L |
79 |
19 |
6665 |
◊ |
K |
x,y,z |
1_555 |
90 |
28 |
21120 |
781.2 |
-7.7 |
0.132 |
6 |
1 |
0 |
0.340 |
| Average: |
784.4 |
-7.5 |
0.138 |
5 |
1 |
0 |
0.340 |
| 8 |
14 |
|
G |
75 |
13 |
8619 |
◊ |
A |
x,y,z |
1_555 |
65 |
24 |
20990 |
603.8 |
-9.0 |
0.486 |
10 |
0 |
0 |
0.485 |
15 |
|
N |
72 |
13 |
7757 |
◊ |
K |
x,y,z |
1_555 |
62 |
23 |
21120 |
569.5 |
-8.7 |
0.481 |
7 |
0 |
0 |
0.485 |
| Average: |
586.7 |
-8.8 |
0.483 |
9 |
0 |
0 |
0.485 |
| 9 |
16 |
|
A |
65 |
19 |
20990 |
◊ |
E |
-y+1/2,x-1/2,z+1/4 |
3_545 |
62 |
20 |
10411 |
571.3 |
-0.2 |
0.567 |
5 |
4 |
0 |
0.000 |
| 10 |
17 |
|
H |
70 |
13 |
7944 |
◊ |
B |
x,y,z |
1_555 |
62 |
21 |
21048 |
568.1 |
-9.5 |
0.440 |
8 |
0 |
0 |
1.000 |
| 11 |
18 |
|
J |
49 |
7 |
2499 |
◊ |
F |
x,y,z |
1_555 |
63 |
22 |
10430 |
516.7 |
-14.4 |
0.312 |
9 |
0 |
0 |
1.000 |
19 |
|
I |
48 |
6 |
2503 |
◊ |
E |
x,y,z |
1_555 |
64 |
22 |
10411 |
514.8 |
-12.9 |
0.427 |
7 |
0 |
0 |
1.000 |
20 |
|
O |
50 |
6 |
2510 |
◊ |
M |
x,y,z |
1_555 |
61 |
22 |
10457 |
512.2 |
-13.2 |
0.407 |
7 |
0 |
0 |
1.000 |
| Average: |
514.6 |
-13.5 |
0.382 |
8 |
0 |
0 |
1.000 |
| 12 |
21 |
|
J |
58 |
10 |
2499 |
◊ |
H |
x,y,z |
1_555 |
58 |
11 |
7944 |
502.3 |
-3.4 |
0.955 |
22 |
0 |
0 |
1.000 |
| 13 |
22 |
|
O |
58 |
10 |
2510 |
◊ |
N |
x,y,z |
1_555 |
55 |
11 |
7757 |
499.3 |
-3.2 |
0.951 |
22 |
0 |
0 |
1.000 |
23 |
|
I |
57 |
10 |
2503 |
◊ |
G |
x,y,z |
1_555 |
56 |
11 |
8619 |
482.9 |
-2.5 |
0.963 |
23 |
0 |
0 |
1.000 |
| Average: |
491.1 |
-2.9 |
0.957 |
23 |
0 |
0 |
1.000 |
| 14 |
24 |
|
N |
46 |
4 |
7757 |
◊ |
L |
y+1,x-1,-z |
7_645 |
42 |
15 |
6665 |
410.3 |
-9.4 |
0.283 |
11 |
0 |
0 |
1.000 |
25 |
|
G |
45 |
4 |
8619 |
◊ |
D |
x,y,z |
1_555 |
41 |
15 |
6615 |
409.3 |
-9.2 |
0.278 |
12 |
0 |
0 |
1.000 |
| Average: |
409.8 |
-9.3 |
0.280 |
12 |
0 |
0 |
1.000 |
| 15 |
26 |
|
H |
48 |
4 |
7944 |
◊ |
C |
x,y,z |
1_555 |
42 |
15 |
6661 |
401.6 |
-8.8 |
0.284 |
12 |
0 |
0 |
1.000 |
| 16 |
27 |
|
N |
44 |
5 |
7757 |
◊ |
M |
x,y,z |
1_555 |
44 |
15 |
10457 |
395.6 |
-5.4 |
0.445 |
6 |
0 |
0 |
0.137 |
28 |
|
G |
38 |
5 |
8619 |
◊ |
E |
x,y,z |
1_555 |
40 |
13 |
10411 |
371.5 |
-5.5 |
0.400 |
6 |
0 |
0 |
0.137 |
| Average: |
383.5 |
-5.4 |
0.423 |
6 |
0 |
0 |
0.137 |
| 17 |
29 |
|
H |
44 |
5 |
7944 |
◊ |
F |
x,y,z |
1_555 |
43 |
15 |
10430 |
388.2 |
-5.9 |
0.398 |
5 |
0 |
0 |
0.138 |
| 18 |
30 |
|
F |
40 |
12 |
10430 |
◊ |
K |
x,y,z |
1_555 |
40 |
11 |
21120 |
349.3 |
0.7 |
0.651 |
0 |
0 |
0 |
0.000 |
31 |
|
M |
31 |
9 |
10457 |
◊ |
A |
y+1,x-1,-z |
7_645 |
31 |
9 |
20990 |
260.7 |
0.1 |
0.599 |
1 |
1 |
0 |
0.000 |
| Average: |
305.0 |
0.4 |
0.625 |
1 |
1 |
0 |
0.000 |
| 19 |
32 |
|
O |
31 |
4 |
2510 |
◊ |
K |
y+1,x-1,-z |
7_645 |
44 |
15 |
21120 |
283.4 |
-4.5 |
0.671 |
7 |
0 |
0 |
0.125 |
33 |
|
J |
31 |
4 |
2499 |
◊ |
A |
x,y,z |
1_555 |
41 |
14 |
20990 |
280.3 |
-4.7 |
0.663 |
6 |
0 |
0 |
0.125 |
34 |
|
I |
32 |
4 |
2503 |
◊ |
B |
x,y,z |
1_555 |
40 |
13 |
21048 |
276.6 |
-3.2 |
0.761 |
8 |
0 |
0 |
0.125 |
| Average: |
280.1 |
-4.1 |
0.698 |
7 |
0 |
0 |
0.125 |
| 20 |
35 |
|
H |
33 |
6 |
7944 |
◊ |
D |
x,y,z |
1_555 |
28 |
10 |
6615 |
258.5 |
-6.0 |
0.469 |
7 |
0 |
0 |
0.283 |
| 21 |
36 |
|
N |
36 |
7 |
7757 |
◊ |
L |
x,y,z |
1_555 |
25 |
10 |
6665 |
242.4 |
-5.5 |
0.550 |
7 |
0 |
0 |
0.279 |
37 |
|
G |
30 |
6 |
8619 |
◊ |
C |
x,y,z |
1_555 |
24 |
9 |
6661 |
218.7 |
-5.0 |
0.524 |
6 |
0 |
0 |
0.279 |
| Average: |
230.5 |
-5.3 |
0.537 |
7 |
0 |
0 |
0.279 |
| 22 |
38 |
|
E |
20 |
5 |
10411 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
21048 |
232.9 |
0.3 |
0.624 |
1 |
3 |
0 |
0.023 |
39 |
|
M |
19 |
6 |
10457 |
◊ |
K |
y+1,x-1,-z |
7_645 |
26 |
8 |
21120 |
230.6 |
0.4 |
0.639 |
2 |
6 |
0 |
0.023 |
40 |
|
F |
19 |
5 |
10430 |
◊ |
A |
x,y,z |
1_555 |
22 |
7 |
20990 |
223.1 |
0.5 |
0.627 |
2 |
4 |
0 |
0.023 |
| Average: |
228.9 |
0.4 |
0.630 |
2 |
4 |
0 |
0.023 |
| 23 |
41 |
|
F |
29 |
8 |
10430 |
◊ |
D |
x,y,z |
1_555 |
21 |
6 |
6615 |
223.5 |
-1.5 |
0.366 |
1 |
1 |
0 |
0.040 |
42 |
|
M |
28 |
8 |
10457 |
◊ |
L |
x,y,z |
1_555 |
20 |
6 |
6665 |
223.0 |
-1.6 |
0.367 |
1 |
2 |
0 |
0.040 |
43 |
|
E |
28 |
8 |
10411 |
◊ |
C |
x,y,z |
1_555 |
19 |
5 |
6661 |
214.3 |
-1.5 |
0.364 |
1 |
0 |
0 |
0.040 |
| Average: |
220.3 |
-1.5 |
0.366 |
1 |
1 |
0 |
0.040 |
| 24 |
44 |
|
A |
24 |
7 |
20990 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
24 |
7 |
20990 |
201.2 |
1.0 |
0.709 |
2 |
0 |
0 |
0.000 |
| 25 |
45 |
|
J |
19 |
2 |
2499 |
◊ |
B |
x,y,z |
1_555 |
20 |
4 |
21048 |
167.0 |
-0.3 |
0.603 |
1 |
0 |
0 |
0.059 |
46 |
|
O |
20 |
2 |
2510 |
◊ |
K |
x,y,z |
1_555 |
18 |
4 |
21120 |
156.0 |
-1.1 |
0.589 |
1 |
0 |
0 |
0.059 |
47 |
|
I |
20 |
2 |
2503 |
◊ |
A |
x,y,z |
1_555 |
20 |
5 |
20990 |
155.1 |
-1.1 |
0.584 |
1 |
0 |
0 |
0.059 |
| Average: |
159.3 |
-0.8 |
0.592 |
1 |
0 |
0 |
0.059 |
| 26 |
48 |
|
B |
17 |
5 |
21048 |
◊ |
D |
-y+1/2,x-1/2,z+1/4 |
3_545 |
21 |
7 |
6615 |
160.4 |
2.7 |
0.826 |
2 |
3 |
0 |
0.000 |
| 27 |
49 |
|
K |
21 |
7 |
21120 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
20990 |
152.1 |
-0.1 |
0.600 |
2 |
0 |
0 |
0.000 |
| 28 |
50 |
|
D |
18 |
7 |
6615 |
◊ |
F |
-y+1/2,x-1/2,z+1/4 |
3_545 |
15 |
4 |
10430 |
151.5 |
1.1 |
0.655 |
1 |
0 |
0 |
0.000 |
| 29 |
51 |
|
B |
19 |
6 |
21048 |
x |
B |
-y+1/2,x-1/2,z+1/4 |
3_545 |
20 |
6 |
21048 |
149.0 |
0.1 |
0.608 |
1 |
1 |
0 |
0.000 |
| 30 |
52 |
|
E |
17 |
6 |
10411 |
◊ |
G |
-y+1/2,x-1/2,z+1/4 |
3_545 |
18 |
3 |
8619 |
139.4 |
-0.8 |
0.617 |
1 |
0 |
0 |
0.006 |
| 31 |
53 |
|
G |
18 |
3 |
8619 |
◊ |
D |
-y+1/2,x-1/2,z+1/4 |
3_545 |
16 |
5 |
6615 |
138.0 |
-1.6 |
0.602 |
2 |
0 |
0 |
0.000 |
| 32 |
54 |
|
H |
15 |
3 |
7944 |
◊ |
D |
-y+1/2,x-1/2,z+1/4 |
3_545 |
10 |
3 |
6615 |
106.4 |
-0.5 |
0.725 |
1 |
0 |
0 |
0.000 |
| 33 |
55 |
|
B |
9 |
3 |
21048 |
◊ |
F |
-y+1/2,x-1/2,z+1/4 |
3_545 |
11 |
4 |
10430 |
100.7 |
0.6 |
0.564 |
0 |
0 |
0 |
0.000 |
| 34 |
56 |
|
E |
11 |
4 |
10411 |
◊ |
K |
x-1/2,-y-1/2,-z-1/4 |
6_444 |
12 |
3 |
21120 |
100.7 |
0.2 |
0.571 |
1 |
0 |
0 |
0.000 |
| 35 |
57 |
|
E |
11 |
5 |
10411 |
◊ |
H |
-y+1/2,x-1/2,z+1/4 |
3_545 |
13 |
2 |
7944 |
100.0 |
-2.0 |
0.585 |
0 |
0 |
0 |
0.010 |
| 36 |
58 |
|
K |
5 |
2 |
21120 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
21048 |
37.8 |
0.8 |
0.773 |
0 |
1 |
0 |
0.000 |
59 |
|
K |
3 |
1 |
21120 |
◊ |
A |
y+1,x-1,-z |
7_645 |
2 |
1 |
20990 |
25.7 |
0.9 |
0.873 |
1 |
1 |
0 |
0.000 |
| Average: |
31.8 |
0.9 |
0.823 |
1 |
1 |
0 |
0.000 |
| 37 |
60 |
|
B |
6 |
2 |
21048 |
◊ |
G |
-y+1/2,x-1/2,z+1/4 |
3_545 |
7 |
1 |
8619 |
33.2 |
-0.3 |
0.670 |
0 |
0 |
0 |
0.000 |
| 38 |
61 |
|
A |
3 |
3 |
20990 |
◊ |
K |
x-1/2,-y-1/2,-z-1/4 |
6_444 |
4 |
3 |
21120 |
26.9 |
1.0 |
0.852 |
0 |
0 |
0 |
0.000 |
| 39 |
62 |
|
J |
1 |
1 |
2499 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
8619 |
3.9 |
-0.1 |
0.374 |
0 |
0 |
0 |
0.001 |
63 |
|
O |
1 |
1 |
2510 |
◊ |
N |
y+1,x-1,-z |
7_645 |
1 |
1 |
7757 |
0.3 |
-0.0 |
0.429 |
0 |
0 |
0 |
0.001 |
| Average: |
2.1 |
-0.1 |
0.402 |
0 |
0 |
0 |
0.001 |
|