## |
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 |
|
Q |
129 |
9 |
3497 |
◊ |
E |
x,y,z |
1_555 |
142 |
40 |
23365 |
1179.1 |
-15.6 |
0.615 |
26 |
0 |
0 |
0.608 |
2 |
2 |
|
M |
131 |
9 |
3451 |
◊ |
A |
x,y,z |
1_555 |
141 |
41 |
24545 |
1170.5 |
-13.8 |
0.612 |
24 |
0 |
0 |
0.754 |
3 |
|
N |
127 |
10 |
3485 |
◊ |
B |
x,y,z |
1_555 |
133 |
38 |
23633 |
1140.9 |
-15.7 |
0.534 |
25 |
0 |
0 |
0.754 |
4 |
|
O |
132 |
10 |
3500 |
◊ |
C |
x,y,z |
1_555 |
135 |
37 |
23593 |
1135.9 |
-13.3 |
0.594 |
27 |
0 |
0 |
0.754 |
5 |
|
P |
128 |
9 |
3512 |
◊ |
D |
x,y,z |
1_555 |
132 |
39 |
23756 |
1135.8 |
-13.9 |
0.688 |
25 |
0 |
0 |
0.754 |
6 |
|
R |
117 |
9 |
3488 |
◊ |
F |
x,y,z |
1_555 |
125 |
39 |
23630 |
1039.2 |
-15.2 |
0.566 |
21 |
0 |
0 |
0.754 |
Average: |
1124.5 |
-14.4 |
0.599 |
24 |
0 |
0 |
0.754 |
3 |
7 |
|
D |
63 |
19 |
23756 |
◊ |
A |
x,y,z |
1_555 |
71 |
18 |
24545 |
595.6 |
-0.3 |
0.863 |
6 |
5 |
0 |
0.020 |
4 |
8 |
|
F |
62 |
18 |
23630 |
◊ |
E |
x,y,z |
1_555 |
58 |
17 |
23365 |
523.5 |
-2.9 |
0.756 |
7 |
3 |
0 |
0.131 |
5 |
9 |
|
E |
59 |
21 |
23365 |
◊ |
F |
x-1,y,z |
1_455 |
58 |
19 |
23630 |
506.6 |
-1.9 |
0.838 |
4 |
0 |
0 |
0.000 |
10 |
|
A |
62 |
23 |
24545 |
◊ |
D |
x-1,y,z |
1_455 |
52 |
17 |
23756 |
462.8 |
-2.8 |
0.693 |
2 |
1 |
0 |
0.000 |
Average: |
484.7 |
-2.3 |
0.766 |
3 |
1 |
0 |
0.000 |
6 |
11 |
|
M |
64 |
8 |
3451 |
◊ |
E |
x,y,z |
1_555 |
50 |
14 |
23365 |
467.2 |
-1.2 |
0.626 |
2 |
0 |
0 |
0.029 |
12 |
|
N |
59 |
8 |
3485 |
◊ |
D |
x-1,y+1,z |
1_465 |
42 |
12 |
23756 |
424.4 |
2.3 |
0.869 |
4 |
0 |
0 |
0.029 |
13 |
|
Q |
57 |
7 |
3497 |
◊ |
A |
x,y,z |
1_555 |
42 |
10 |
24545 |
411.6 |
0.9 |
0.671 |
3 |
0 |
0 |
0.029 |
14 |
|
B |
40 |
12 |
23633 |
◊ |
P |
x-1,y+1,z |
1_465 |
58 |
7 |
3512 |
396.8 |
-0.6 |
0.735 |
2 |
0 |
0 |
0.029 |
15 |
|
O |
51 |
8 |
3500 |
◊ |
F |
x,y,z-1 |
1_554 |
40 |
13 |
23630 |
395.8 |
-1.4 |
0.544 |
4 |
0 |
0 |
0.029 |
16 |
|
C |
35 |
9 |
23593 |
◊ |
R |
x,y,z-1 |
1_554 |
53 |
7 |
3488 |
378.6 |
2.2 |
0.804 |
3 |
0 |
0 |
0.029 |
Average: |
412.4 |
0.4 |
0.708 |
3 |
0 |
0 |
0.029 |
7 |
17 |
|
[RY8]C:1303 |
27 |
1 |
628 |
f |
C |
x,y,z |
1_555 |
74 |
23 |
23593 |
466.0 |
0.1 |
0.568 |
5 |
0 |
0 |
0.065 |
18 |
|
[RY8]A:1303 |
27 |
1 |
624 |
f |
A |
x,y,z |
1_555 |
67 |
21 |
24545 |
453.1 |
1.3 |
0.626 |
5 |
0 |
0 |
0.065 |
19 |
|
[RY8]D:1303 |
27 |
1 |
623 |
f |
D |
x,y,z |
1_555 |
69 |
21 |
23756 |
451.7 |
1.2 |
0.664 |
4 |
0 |
0 |
0.065 |
20 |
|
[RY8]E:1303 |
27 |
1 |
626 |
f |
E |
x,y,z |
1_555 |
67 |
20 |
23365 |
451.2 |
0.1 |
0.578 |
4 |
0 |
0 |
0.065 |
21 |
|
[RY8]B:1303 |
26 |
1 |
628 |
f |
B |
x,y,z |
1_555 |
69 |
21 |
23633 |
450.5 |
0.6 |
0.613 |
3 |
0 |
0 |
0.065 |
22 |
|
[RY8]F:1303 |
27 |
1 |
629 |
cf |
F |
x,y,z |
1_555 |
68 |
20 |
23630 |
440.8 |
2.1 |
0.680 |
3 |
0 |
0 |
0.065 |
Average: |
452.2 |
0.9 |
0.622 |
4 |
0 |
0 |
0.065 |
8 |
23 |
|
C |
46 |
10 |
23593 |
◊ |
B |
x,y,z |
1_555 |
37 |
12 |
23633 |
415.1 |
1.3 |
0.896 |
8 |
4 |
0 |
0.000 |
24 |
|
B |
51 |
14 |
23633 |
◊ |
C |
x-1,y,z |
1_455 |
36 |
10 |
23593 |
387.6 |
-0.4 |
0.797 |
6 |
4 |
0 |
0.000 |
Average: |
401.4 |
0.5 |
0.847 |
7 |
4 |
0 |
0.000 |
9 |
25 |
|
A |
37 |
10 |
24545 |
◊ |
C |
x,y-1,z |
1_545 |
33 |
9 |
23593 |
327.2 |
-4.0 |
0.367 |
3 |
0 |
0 |
0.000 |
26 |
|
B |
18 |
5 |
23633 |
◊ |
E |
x,y,z-1 |
1_554 |
18 |
7 |
23365 |
171.0 |
-3.1 |
0.283 |
0 |
0 |
0 |
0.000 |
Average: |
249.1 |
-3.5 |
0.325 |
2 |
0 |
0 |
0.000 |
10 |
27 |
|
B |
39 |
9 |
23633 |
◊ |
A |
x,y,z |
1_555 |
32 |
9 |
24545 |
320.9 |
-2.3 |
0.550 |
4 |
1 |
0 |
0.000 |
11 |
28 |
|
[ADP]C:1302 |
24 |
1 |
559 |
f |
C |
x,y,z |
1_555 |
40 |
13 |
23593 |
298.0 |
-3.4 |
0.724 |
12 |
0 |
0 |
0.340 |
29 |
|
[ADP]E:1302 |
25 |
1 |
563 |
f |
E |
x,y,z |
1_555 |
36 |
14 |
23365 |
296.5 |
-3.3 |
0.733 |
9 |
0 |
0 |
0.340 |
30 |
|
[ADP]A:1302 |
24 |
1 |
556 |
f |
A |
x,y,z |
1_555 |
37 |
14 |
24545 |
296.1 |
-3.4 |
0.724 |
13 |
0 |
0 |
0.340 |
31 |
|
[ADP]B:1302 |
22 |
1 |
559 |
f |
B |
x,y,z |
1_555 |
35 |
12 |
23633 |
275.3 |
-3.3 |
0.715 |
11 |
0 |
0 |
0.340 |
32 |
|
[ADP]F:1302 |
24 |
1 |
561 |
cf |
F |
x,y,z |
1_555 |
32 |
12 |
23630 |
273.3 |
-4.7 |
0.679 |
11 |
0 |
0 |
0.340 |
33 |
|
[ADP]D:1302 |
25 |
1 |
555 |
f |
D |
x,y,z |
1_555 |
34 |
14 |
23756 |
268.4 |
-4.4 |
0.673 |
11 |
0 |
0 |
0.340 |
Average: |
284.6 |
-3.7 |
0.708 |
11 |
0 |
0 |
0.340 |
12 |
34 |
|
E |
27 |
8 |
23365 |
◊ |
A |
x,y,z |
1_555 |
27 |
8 |
24545 |
260.0 |
-0.1 |
0.756 |
4 |
5 |
0 |
0.028 |
35 |
|
C |
16 |
6 |
23593 |
◊ |
F |
x,y,z-1 |
1_554 |
16 |
6 |
23630 |
150.8 |
-0.3 |
0.708 |
0 |
0 |
0 |
0.028 |
Average: |
205.4 |
-0.2 |
0.732 |
2 |
3 |
0 |
0.028 |
13 |
36 |
|
B |
17 |
6 |
23633 |
◊ |
D |
x-1,y+1,z |
1_465 |
20 |
7 |
23756 |
200.9 |
-0.7 |
0.647 |
1 |
0 |
0 |
0.013 |
14 |
37 |
|
E |
29 |
10 |
23365 |
◊ |
F |
x,y-1,z |
1_545 |
21 |
8 |
23630 |
199.9 |
-3.8 |
0.336 |
0 |
0 |
0 |
0.000 |
15 |
38 |
|
N |
19 |
5 |
3485 |
◊ |
P |
x-1,y+1,z |
1_465 |
17 |
5 |
3512 |
182.0 |
-4.9 |
0.372 |
12 |
0 |
0 |
1.000 |
39 |
|
O |
20 |
5 |
3500 |
◊ |
R |
x,y,z-1 |
1_554 |
16 |
4 |
3488 |
176.9 |
-4.5 |
0.364 |
11 |
0 |
0 |
1.000 |
Average: |
179.5 |
-4.7 |
0.368 |
12 |
0 |
0 |
1.000 |
16 |
40 |
|
[PG4]C:1304 |
11 |
1 |
399 |
f |
C |
x,y,z |
1_555 |
24 |
9 |
23593 |
174.6 |
2.7 |
0.320 |
0 |
0 |
0 |
0.000 |
17 |
41 |
|
[PG4]B:1304 |
13 |
1 |
359 |
◊ |
B |
x,y,z |
1_555 |
27 |
10 |
23633 |
173.0 |
4.9 |
0.230 |
2 |
0 |
0 |
0.000 |
42 |
|
[PG4]A:1304 |
11 |
1 |
357 |
◊ |
A |
x,y,z |
1_555 |
24 |
9 |
24545 |
166.2 |
5.6 |
0.355 |
1 |
0 |
0 |
0.000 |
Average: |
169.6 |
5.3 |
0.293 |
2 |
0 |
0 |
0.000 |
18 |
43 |
|
[PG4]C:1305 |
13 |
1 |
356 |
◊ |
C |
x,y,z |
1_555 |
31 |
10 |
23593 |
172.4 |
2.2 |
0.307 |
1 |
0 |
0 |
0.000 |
19 |
44 |
|
[PG4]E:1304 |
12 |
1 |
360 |
◊ |
E |
x,y,z |
1_555 |
28 |
10 |
23365 |
169.1 |
4.0 |
0.380 |
2 |
0 |
0 |
0.000 |
20 |
45 |
|
Q |
17 |
4 |
3497 |
◊ |
M |
x,y,z |
1_555 |
16 |
5 |
3451 |
167.6 |
-3.7 |
0.428 |
10 |
0 |
0 |
0.088 |
21 |
46 |
|
[PG4]A:1305 |
12 |
1 |
389 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
24545 |
154.1 |
3.6 |
0.380 |
1 |
0 |
0 |
0.000 |
22 |
47 |
|
[PG4]D:1304 |
11 |
1 |
356 |
◊ |
D |
x,y,z |
1_555 |
26 |
8 |
23756 |
150.9 |
3.6 |
0.376 |
1 |
0 |
0 |
0.000 |
23 |
48 |
|
A |
14 |
6 |
24545 |
◊ |
D |
x-1,y+1,z |
1_465 |
16 |
6 |
23756 |
118.8 |
-0.7 |
0.633 |
2 |
0 |
0 |
0.000 |
24 |
49 |
|
F |
13 |
5 |
23630 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
24545 |
116.9 |
-1.5 |
0.427 |
0 |
0 |
0 |
0.000 |
25 |
50 |
|
N |
10 |
2 |
3485 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
24545 |
86.9 |
-0.3 |
0.589 |
1 |
0 |
0 |
0.000 |
26 |
51 |
|
E |
8 |
2 |
23365 |
◊ |
D |
x,y,z |
1_555 |
8 |
5 |
23756 |
83.0 |
-0.9 |
0.484 |
0 |
0 |
0 |
0.005 |
27 |
52 |
|
D |
12 |
5 |
23756 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
23593 |
81.6 |
-1.0 |
0.510 |
0 |
0 |
0 |
0.000 |
28 |
53 |
|
B |
15 |
5 |
23633 |
◊ |
[PG4]D:1304 |
x-1,y+1,z |
1_465 |
5 |
1 |
356 |
62.0 |
1.0 |
0.342 |
0 |
0 |
0 |
0.000 |
29 |
54 |
|
[PG4]E:1304 |
5 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
24545 |
61.0 |
-0.2 |
0.232 |
0 |
0 |
0 |
0.004 |
30 |
55 |
|
F |
10 |
5 |
23630 |
◊ |
C |
x,y-1,z+1 |
1_546 |
7 |
4 |
23593 |
59.9 |
-0.4 |
0.633 |
0 |
0 |
0 |
0.000 |
31 |
56 |
|
[ADP]D:1302 |
7 |
1 |
555 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
24545 |
59.4 |
0.8 |
0.451 |
0 |
0 |
0 |
0.000 |
32 |
57 |
|
[ADP]E:1302 |
8 |
1 |
563 |
◊ |
F |
x-1,y,z |
1_455 |
6 |
3 |
23630 |
56.7 |
-1.9 |
0.449 |
2 |
0 |
0 |
0.000 |
58 |
|
[ADP]A:1302 |
2 |
1 |
556 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
2 |
23756 |
12.4 |
-0.5 |
0.451 |
0 |
0 |
0 |
0.000 |
Average: |
34.6 |
-1.2 |
0.450 |
1 |
0 |
0 |
0.000 |
33 |
59 |
|
B |
4 |
3 |
23633 |
◊ |
C |
x-1,y+1,z |
1_465 |
8 |
3 |
23593 |
55.4 |
-0.5 |
0.285 |
0 |
0 |
0 |
0.000 |
34 |
60 |
|
[PG4]A:1304 |
4 |
1 |
357 |
f |
E |
x,y,z |
1_555 |
12 |
3 |
23365 |
54.4 |
1.6 |
0.400 |
0 |
0 |
0 |
0.000 |
35 |
61 |
|
[PG4]A:1305 |
6 |
1 |
389 |
f |
B |
x,y-1,z |
1_545 |
7 |
2 |
23633 |
52.6 |
1.1 |
0.306 |
0 |
0 |
0 |
0.000 |
36 |
62 |
|
[ADP]F:1302 |
3 |
1 |
561 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
23365 |
52.5 |
1.1 |
0.597 |
0 |
0 |
0 |
0.000 |
37 |
63 |
|
[MG]Q:101 |
1 |
1 |
98 |
f |
Q |
x,y,z |
1_555 |
9 |
3 |
3497 |
46.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.161 |
38 |
64 |
|
F |
5 |
3 |
23630 |
◊ |
O |
x,y-1,z+1 |
1_546 |
8 |
2 |
3500 |
46.5 |
-1.5 |
0.305 |
0 |
0 |
0 |
0.000 |
39 |
65 |
|
[PG4]B:1304 |
2 |
1 |
359 |
f |
D |
x-1,y+1,z |
1_465 |
11 |
3 |
23756 |
45.5 |
1.5 |
0.656 |
0 |
0 |
0 |
0.000 |
40 |
66 |
|
B |
6 |
3 |
23633 |
f |
[MG]P:101 |
x-1,y+1,z |
1_465 |
1 |
1 |
98 |
39.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.110 |
67 |
|
[MG]N:101 |
1 |
1 |
98 |
f |
D |
x-1,y+1,z |
1_465 |
5 |
3 |
23756 |
37.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.110 |
68 |
|
[MG]Q:102 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
24545 |
27.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.110 |
69 |
|
[MG]F:1304 |
1 |
1 |
98 |
f |
F |
x,y-1,z |
1_545 |
4 |
2 |
23630 |
25.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.110 |
70 |
|
[MG]M:100 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
3 |
1 |
23365 |
20.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.110 |
Average: |
30.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.110 |
41 |
71 |
|
B |
4 |
2 |
23633 |
◊ |
P |
x-1,y,z |
1_455 |
5 |
1 |
3512 |
38.1 |
-0.1 |
0.544 |
0 |
0 |
0 |
0.000 |
42 |
72 |
|
[PG4]C:1305 |
4 |
1 |
356 |
f |
F |
x,y,z-1 |
1_554 |
9 |
3 |
23630 |
37.9 |
0.9 |
0.446 |
0 |
0 |
0 |
0.000 |
43 |
73 |
|
F |
3 |
2 |
23630 |
x |
F |
x,y-1,z |
1_545 |
6 |
3 |
23630 |
35.0 |
-0.6 |
0.360 |
0 |
0 |
0 |
0.000 |
74 |
|
B |
1 |
1 |
23633 |
x |
B |
x,y-1,z |
1_545 |
4 |
1 |
23633 |
23.3 |
-0.2 |
0.279 |
0 |
0 |
0 |
0.000 |
Average: |
29.1 |
-0.4 |
0.319 |
0 |
0 |
0 |
0.000 |
44 |
75 |
|
A |
3 |
1 |
24545 |
f |
[PG4]D:1304 |
x-1,y,z |
1_455 |
2 |
1 |
356 |
32.9 |
1.2 |
0.511 |
1 |
0 |
0 |
0.000 |
45 |
76 |
|
[MG]M:100 |
1 |
1 |
98 |
◊ |
M |
x,y,z |
1_555 |
3 |
2 |
3451 |
31.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.071 |
77 |
|
[MG]N:101 |
1 |
1 |
98 |
◊ |
N |
x,y,z |
1_555 |
3 |
2 |
3485 |
28.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.071 |
78 |
|
[MG]F:1304 |
1 |
1 |
98 |
◊ |
O |
x,y-1,z+1 |
1_546 |
4 |
2 |
3500 |
28.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.071 |
79 |
|
[MG]Q:102 |
1 |
1 |
98 |
◊ |
Q |
x,y,z |
1_555 |
4 |
2 |
3497 |
26.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.071 |
80 |
|
[MG]P:101 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
4 |
2 |
3512 |
24.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.071 |
Average: |
28.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.071 |
46 |
81 |
|
E |
3 |
1 |
23365 |
◊ |
C |
x-1,y,z+1 |
1_456 |
5 |
2 |
23593 |
30.7 |
-0.4 |
0.400 |
0 |
0 |
0 |
0.000 |
47 |
82 |
|
A |
3 |
2 |
24545 |
x |
A |
x,y-1,z |
1_545 |
2 |
2 |
24545 |
23.7 |
-0.7 |
0.220 |
0 |
0 |
0 |
0.000 |
48 |
83 |
|
E |
2 |
1 |
23365 |
◊ |
O |
x-1,y,z+1 |
1_456 |
3 |
1 |
3500 |
15.2 |
0.2 |
0.455 |
0 |
0 |
0 |
0.000 |
49 |
84 |
|
E |
4 |
2 |
23365 |
◊ |
D |
x-1,y+1,z |
1_465 |
2 |
2 |
23756 |
15.1 |
-0.2 |
0.517 |
0 |
0 |
0 |
0.000 |
50 |
85 |
|
A |
2 |
2 |
24545 |
◊ |
N |
x,y-1,z |
1_545 |
3 |
1 |
3485 |
10.1 |
0.1 |
0.438 |
0 |
0 |
0 |
0.000 |
51 |
86 |
|
[MG]Q:101 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
23365 |
8.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.022 |
52 |
87 |
|
F |
1 |
1 |
23630 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
23756 |
7.0 |
-0.2 |
0.271 |
0 |
0 |
0 |
0.000 |
53 |
88 |
|
B |
2 |
2 |
23633 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
2 |
23756 |
4.1 |
-0.0 |
0.645 |
0 |
0 |
0 |
0.000 |
54 |
89 |
|
A |
2 |
1 |
24545 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
23633 |
3.5 |
0.1 |
0.742 |
0 |
0 |
0 |
0.000 |
55 |
90 |
|
A |
1 |
1 |
24545 |
◊ |
[RY8]D:1303 |
x-1,y,z |
1_455 |
2 |
1 |
623 |
2.7 |
0.1 |
0.563 |
0 |
0 |
0 |
0.000 |
56 |
91 |
|
[PG4]E:1304 |
1 |
1 |
360 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
23630 |
0.8 |
0.0 |
0.408 |
0 |
0 |
0 |
0.000 |
|