| ## |
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 |
|
D |
488 |
118 |
21928 |
◊ |
C |
x,y,z |
1_555 |
484 |
119 |
22302 |
4653.2 |
-49.5 |
0.070 |
63 |
29 |
0 |
0.499 |
2 |
|
F |
478 |
119 |
22191 |
◊ |
E |
x,y,z |
1_555 |
487 |
118 |
22188 |
4645.3 |
-50.3 |
0.054 |
75 |
22 |
0 |
0.499 |
3 |
|
B |
485 |
120 |
22172 |
◊ |
A |
x,y,z |
1_555 |
476 |
119 |
22003 |
4637.9 |
-50.5 |
0.045 |
69 |
24 |
0 |
0.499 |
| Average: |
4645.5 |
-50.1 |
0.056 |
69 |
25 |
0 |
0.499 |
| 2 |
4 |
|
C |
221 |
51 |
22302 |
◊ |
B |
x,y,z |
1_555 |
217 |
51 |
22172 |
1982.0 |
-9.6 |
0.602 |
19 |
21 |
0 |
0.198 |
5 |
|
E |
219 |
52 |
22188 |
◊ |
D |
x,y,z |
1_555 |
213 |
51 |
21928 |
1978.3 |
-8.5 |
0.671 |
20 |
22 |
0 |
0.198 |
6 |
|
F |
224 |
51 |
22191 |
◊ |
A |
x,y,z |
1_555 |
222 |
52 |
22003 |
1958.1 |
-10.2 |
0.588 |
25 |
22 |
0 |
0.198 |
| Average: |
1972.8 |
-9.4 |
0.620 |
21 |
22 |
0 |
0.198 |
| 3 |
7 |
|
E |
46 |
14 |
22188 |
◊ |
C |
x,y,z |
1_555 |
54 |
13 |
22302 |
484.3 |
-2.4 |
0.560 |
0 |
0 |
0 |
0.030 |
8 |
|
E |
53 |
14 |
22188 |
◊ |
A |
x,y,z |
1_555 |
50 |
15 |
22003 |
482.0 |
-2.8 |
0.533 |
0 |
0 |
0 |
0.030 |
9 |
|
C |
48 |
14 |
22302 |
◊ |
A |
x,y,z |
1_555 |
49 |
13 |
22003 |
473.7 |
-3.8 |
0.428 |
0 |
0 |
0 |
0.030 |
10 |
|
D |
51 |
14 |
21928 |
◊ |
B |
x,y,z |
1_555 |
39 |
12 |
22172 |
463.7 |
-3.1 |
0.454 |
1 |
0 |
0 |
0.030 |
11 |
|
F |
42 |
13 |
22191 |
◊ |
B |
x,y,z |
1_555 |
54 |
13 |
22172 |
454.5 |
-3.9 |
0.383 |
1 |
0 |
0 |
0.030 |
12 |
|
F |
51 |
13 |
22191 |
◊ |
D |
x,y,z |
1_555 |
38 |
12 |
21928 |
447.5 |
-3.7 |
0.396 |
0 |
0 |
0 |
0.030 |
| Average: |
467.6 |
-3.3 |
0.459 |
0 |
0 |
0 |
0.030 |
| 4 |
13 |
|
F |
57 |
19 |
22191 |
◊ |
F |
x,x-y+1,-z-1/2 |
12_564 |
56 |
19 |
22191 |
465.8 |
-2.3 |
0.593 |
0 |
6 |
0 |
0.000 |
| 5 |
14 |
|
E |
47 |
16 |
22188 |
◊ |
E |
-x,-x+y,-z |
9_555 |
45 |
16 |
22188 |
431.8 |
0.4 |
0.782 |
4 |
6 |
0 |
0.000 |
| 6 |
15 |
|
[PLP]C:501 |
15 |
1 |
384 |
cf |
C |
x,y,z |
1_555 |
35 |
17 |
22302 |
234.9 |
-0.1 |
0.567 |
6 |
0 |
0 |
0.046 |
16 |
|
[PLP]E:502 |
15 |
1 |
385 |
cf |
E |
x,y,z |
1_555 |
35 |
17 |
22188 |
229.3 |
0.2 |
0.587 |
5 |
0 |
0 |
0.046 |
17 |
|
[PLP]F:502 |
15 |
1 |
387 |
cf |
F |
x,y,z |
1_555 |
33 |
17 |
22191 |
228.8 |
-0.1 |
0.541 |
6 |
0 |
0 |
0.046 |
18 |
|
[PLP]A:500 |
15 |
1 |
386 |
cf |
A |
x,y,z |
1_555 |
38 |
17 |
22003 |
225.9 |
-0.2 |
0.526 |
6 |
0 |
0 |
0.046 |
19 |
|
[PLP]D:501 |
15 |
1 |
383 |
cf |
D |
x,y,z |
1_555 |
34 |
17 |
21928 |
222.5 |
0.1 |
0.586 |
6 |
0 |
0 |
0.046 |
| Average: |
228.3 |
-0.0 |
0.561 |
6 |
0 |
0 |
0.046 |
| 7 |
20 |
|
[PLP]B:500 |
15 |
1 |
387 |
cf |
B |
x,y,z |
1_555 |
35 |
17 |
22172 |
223.6 |
0.1 |
0.574 |
6 |
0 |
0 |
0.021 |
| 8 |
21 |
|
F |
15 |
5 |
22191 |
◊ |
E |
-x,-x+y,-z |
9_555 |
29 |
10 |
22188 |
194.8 |
1.6 |
0.844 |
2 |
1 |
0 |
0.000 |
22 |
|
F |
23 |
10 |
22191 |
◊ |
E |
x,x-y+1,-z-1/2 |
12_564 |
12 |
4 |
22188 |
142.9 |
-0.3 |
0.649 |
0 |
0 |
0 |
0.000 |
| Average: |
168.8 |
0.7 |
0.747 |
1 |
1 |
0 |
0.000 |
| 9 |
23 |
|
D |
16 |
8 |
21928 |
◊ |
B |
-y,-x,-z-1/2 |
8_554 |
17 |
4 |
22172 |
135.0 |
-1.2 |
0.479 |
1 |
0 |
0 |
0.000 |
| 10 |
24 |
|
B |
14 |
5 |
22172 |
x |
B |
-y,x-y+1,z |
3_565 |
17 |
7 |
22172 |
125.1 |
1.1 |
0.767 |
3 |
0 |
0 |
0.000 |
| 11 |
25 |
|
C |
8 |
3 |
22302 |
◊ |
B |
-y,-x,-z-1/2 |
8_554 |
18 |
8 |
22172 |
116.9 |
0.6 |
0.751 |
1 |
1 |
0 |
0.000 |
| 12 |
26 |
|
F |
8 |
3 |
22191 |
◊ |
D |
x,x-y+1,-z-1/2 |
12_564 |
9 |
4 |
21928 |
99.0 |
2.3 |
0.919 |
2 |
3 |
0 |
0.000 |
| 13 |
27 |
|
E |
8 |
3 |
22188 |
◊ |
A |
-x,-x+y,-z |
9_555 |
14 |
6 |
22003 |
86.2 |
0.8 |
0.733 |
0 |
1 |
0 |
0.000 |
| 14 |
28 |
|
[BR]D:469 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
21928 |
84.9 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.200 |
29 |
|
[BR]C:470 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
22302 |
84.5 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.200 |
30 |
|
[BR]A:470 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
22003 |
84.2 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.200 |
31 |
|
[BR]F:470 |
1 |
1 |
133 |
f |
F |
x,y,z |
1_555 |
15 |
8 |
22191 |
83.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.200 |
32 |
|
[BR]B:471 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
22172 |
83.2 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.200 |
33 |
|
[BR]E:470 |
1 |
1 |
133 |
f |
E |
x,y,z |
1_555 |
12 |
7 |
22188 |
80.0 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.200 |
| Average: |
83.4 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.200 |
| 15 |
34 |
|
[PLP]B:500 |
7 |
1 |
387 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
22003 |
78.0 |
-2.0 |
0.376 |
1 |
0 |
0 |
0.014 |
| 16 |
35 |
|
[PLP]A:500 |
6 |
1 |
386 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
22172 |
76.8 |
-2.0 |
0.377 |
2 |
0 |
0 |
0.037 |
36 |
|
[PLP]D:501 |
7 |
1 |
383 |
◊ |
C |
x,y,z |
1_555 |
12 |
3 |
22302 |
76.7 |
-2.0 |
0.387 |
3 |
0 |
0 |
0.037 |
37 |
|
[PLP]E:502 |
7 |
1 |
385 |
◊ |
F |
x,y,z |
1_555 |
9 |
2 |
22191 |
65.3 |
-2.6 |
0.306 |
1 |
0 |
0 |
0.037 |
38 |
|
[PLP]F:502 |
7 |
1 |
387 |
◊ |
E |
x,y,z |
1_555 |
9 |
2 |
22188 |
64.6 |
-2.5 |
0.314 |
1 |
0 |
0 |
0.037 |
39 |
|
[PLP]C:501 |
7 |
1 |
384 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
21928 |
62.9 |
-2.4 |
0.312 |
1 |
0 |
0 |
0.037 |
| Average: |
69.2 |
-2.3 |
0.339 |
2 |
0 |
0 |
0.037 |
| 17 |
40 |
|
[BR]E:467 |
1 |
1 |
133 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
22188 |
68.1 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.155 |
41 |
|
[BR]A:469 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
22003 |
67.3 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.155 |
42 |
|
[BR]C:467 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
22302 |
67.1 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.155 |
43 |
|
[BR]B:470 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
22172 |
66.8 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.155 |
44 |
|
[BR]C:469 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
21928 |
66.7 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.155 |
45 |
|
[BR]F:467 |
1 |
1 |
133 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
22191 |
66.4 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.155 |
| Average: |
67.1 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.155 |
| 18 |
46 |
|
[BR]D:467 |
1 |
1 |
133 |
f |
E |
x,y,z |
1_555 |
14 |
7 |
22188 |
61.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.125 |
47 |
|
[BR]B:469 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
22172 |
61.5 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.125 |
48 |
|
[BR]A:467 |
1 |
1 |
133 |
f |
F |
x,y,z |
1_555 |
14 |
8 |
22191 |
61.3 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.125 |
49 |
|
[BR]B:467 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
22302 |
61.2 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.125 |
50 |
|
[BR]E:468 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
21928 |
60.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.125 |
51 |
|
[BR]F:468 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
22003 |
59.7 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.125 |
| Average: |
61.0 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.125 |
| 19 |
52 |
|
[BR]E:469 |
1 |
1 |
133 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
22188 |
56.4 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.118 |
53 |
|
[BR]B:468 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
22172 |
56.0 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.118 |
54 |
|
[BR]D:468 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
21928 |
54.8 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.118 |
55 |
|
[BR]C:468 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
22302 |
54.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.118 |
56 |
|
[BR]F:469 |
1 |
1 |
133 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
22191 |
53.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.118 |
57 |
|
[BR]A:468 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
22003 |
51.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.118 |
| Average: |
54.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.118 |
| 20 |
58 |
|
[BR]C:468 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
22172 |
49.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.084 |
59 |
|
[BR]A:468 |
1 |
1 |
133 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
22191 |
47.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.084 |
60 |
|
[BR]D:468 |
1 |
1 |
133 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
22188 |
47.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.084 |
61 |
|
[BR]E:469 |
1 |
1 |
133 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
21928 |
47.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.084 |
62 |
|
[BR]F:469 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
22003 |
46.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.084 |
63 |
|
[BR]B:468 |
1 |
1 |
133 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
22302 |
43.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.084 |
| Average: |
46.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.084 |
| 21 |
64 |
|
[BR]F:468 |
1 |
1 |
133 |
◊ |
F |
x,y,z |
1_555 |
7 |
4 |
22191 |
43.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.085 |
65 |
|
[BR]B:467 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
22172 |
42.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.085 |
66 |
|
[BR]E:468 |
1 |
1 |
133 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
22188 |
41.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.085 |
67 |
|
[BR]A:467 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
22003 |
41.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.085 |
68 |
|
[BR]D:467 |
1 |
1 |
133 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
21928 |
40.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.085 |
69 |
|
[BR]B:469 |
1 |
1 |
133 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
22302 |
39.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.085 |
| Average: |
41.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.085 |
| 22 |
70 |
|
[BR]B:470 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
22003 |
35.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.042 |
71 |
|
[BR]C:469 |
1 |
1 |
133 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
22302 |
34.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.042 |
72 |
|
[BR]E:467 |
1 |
1 |
133 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
22191 |
33.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.042 |
73 |
|
[BR]F:467 |
1 |
1 |
133 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
22188 |
33.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.042 |
74 |
|
[BR]A:469 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
22172 |
33.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.042 |
75 |
|
[BR]C:467 |
1 |
1 |
133 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
21928 |
32.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.042 |
| Average: |
33.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.042 |
| 23 |
76 |
|
F |
5 |
1 |
22191 |
◊ |
A |
x,x-y+1,-z-1/2 |
12_564 |
3 |
1 |
22003 |
21.4 |
0.2 |
0.627 |
0 |
0 |
0 |
0.000 |
| 24 |
77 |
|
F |
3 |
1 |
22191 |
◊ |
B |
-y,x-y+1,z |
3_565 |
1 |
1 |
22172 |
14.0 |
0.5 |
0.761 |
0 |
0 |
0 |
0.000 |
| 25 |
78 |
|
E |
1 |
1 |
22188 |
◊ |
B |
-y,-x,-z-1/2 |
8_554 |
2 |
1 |
22172 |
12.9 |
0.3 |
0.559 |
0 |
0 |
0 |
0.000 |
| 26 |
79 |
|
D |
2 |
1 |
21928 |
◊ |
D |
-y,-x,-z-1/2 |
8_554 |
2 |
1 |
21928 |
11.9 |
-0.1 |
0.517 |
0 |
0 |
0 |
0.000 |
| 27 |
80 |
|
[BR]B:468 |
1 |
1 |
133 |
◊ |
[BR]B:467 |
x,y,z |
1_555 |
1 |
1 |
133 |
11.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.020 |
| 28 |
81 |
|
[BR]E:469 |
1 |
1 |
133 |
◊ |
[BR]E:468 |
x,y,z |
1_555 |
1 |
1 |
133 |
9.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.017 |
| 29 |
82 |
|
[BR]C:468 |
1 |
1 |
133 |
◊ |
[BR]B:469 |
x,y,z |
1_555 |
1 |
1 |
133 |
9.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.016 |
| 30 |
83 |
|
[BR]D:468 |
1 |
1 |
133 |
◊ |
[BR]D:467 |
x,y,z |
1_555 |
1 |
1 |
133 |
9.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.016 |
| 31 |
84 |
|
[BR]F:469 |
1 |
1 |
133 |
◊ |
[BR]F:468 |
x,y,z |
1_555 |
1 |
1 |
133 |
9.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.015 |
| 32 |
85 |
|
[BR]A:468 |
1 |
1 |
133 |
◊ |
[BR]A:467 |
x,y,z |
1_555 |
1 |
1 |
133 |
8.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.014 |
| 33 |
86 |
|
[BR]A:468 |
1 |
1 |
133 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
22188 |
7.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
87 |
|
[BR]F:469 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
22172 |
6.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
88 |
|
[BR]D:468 |
1 |
1 |
133 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
22191 |
1.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
89 |
|
[BR]B:468 |
1 |
1 |
133 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
21928 |
0.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
| Average: |
4.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 34 |
90 |
|
E |
1 |
1 |
22188 |
◊ |
D |
-x,-x+y,-z |
9_555 |
1 |
1 |
21928 |
0.3 |
0.0 |
0.658 |
0 |
0 |
0 |
0.000 |
|