| ## |
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 |
268 |
77 |
21252 |
◊ |
C |
x,y,z |
1_555 |
265 |
76 |
20553 |
2659.3 |
-64.5 |
0.052 |
9 |
0 |
0 |
0.690 |
2 |
|
B |
270 |
78 |
20680 |
◊ |
A |
x,y,z |
1_555 |
261 |
77 |
20731 |
2657.5 |
-64.6 |
0.046 |
10 |
0 |
0 |
0.690 |
| Average: |
2658.4 |
-64.6 |
0.049 |
10 |
0 |
0 |
0.690 |
| 2 |
3 |
|
D |
47 |
12 |
21252 |
◊ |
A |
x,y,z |
1_555 |
55 |
16 |
20731 |
439.6 |
-8.7 |
0.556 |
3 |
0 |
0 |
0.088 |
4 |
|
C |
48 |
13 |
20553 |
◊ |
B |
x,y,z |
1_555 |
47 |
10 |
20680 |
401.0 |
-8.8 |
0.474 |
2 |
0 |
0 |
0.088 |
| Average: |
420.3 |
-8.7 |
0.515 |
3 |
0 |
0 |
0.088 |
| 3 |
5 |
|
[CBS]C:500 |
29 |
1 |
595 |
f |
C |
x,y,z |
1_555 |
53 |
19 |
20553 |
400.6 |
-5.6 |
0.745 |
8 |
0 |
0 |
0.175 |
6 |
|
[CBS]A:500 |
28 |
1 |
589 |
f |
A |
x,y,z |
1_555 |
54 |
17 |
20731 |
387.4 |
-5.8 |
0.740 |
8 |
0 |
0 |
0.175 |
7 |
|
[CBS]D:500 |
29 |
1 |
590 |
f |
D |
x,y,z |
1_555 |
49 |
16 |
21252 |
384.5 |
-5.1 |
0.754 |
7 |
0 |
0 |
0.175 |
8 |
|
[CBS]B:500 |
29 |
1 |
592 |
f |
B |
x,y,z |
1_555 |
49 |
17 |
20680 |
384.1 |
-4.8 |
0.752 |
8 |
0 |
0 |
0.175 |
| Average: |
389.2 |
-5.3 |
0.748 |
8 |
0 |
0 |
0.175 |
| 4 |
9 |
|
C |
49 |
13 |
20553 |
◊ |
A |
-y+3/2,x+1/2,z-1/4 |
3_654 |
45 |
14 |
20731 |
392.8 |
-6.2 |
0.767 |
0 |
0 |
0 |
0.000 |
| 5 |
10 |
|
D |
39 |
9 |
21252 |
◊ |
B |
-y+1/2,x+1/2,z-1/4 |
3_554 |
38 |
9 |
20680 |
310.9 |
-2.3 |
0.910 |
3 |
1 |
0 |
0.000 |
| 6 |
11 |
|
[ZDM]A:443 |
22 |
1 |
678 |
◊ |
A |
x,y,z |
1_555 |
37 |
13 |
20731 |
256.4 |
-0.8 |
0.770 |
0 |
0 |
0 |
0.012 |
12 |
|
[ZDM]C:443 |
22 |
1 |
679 |
◊ |
C |
x,y,z |
1_555 |
45 |
13 |
20553 |
254.6 |
-1.2 |
0.773 |
0 |
0 |
0 |
0.012 |
| Average: |
255.5 |
-1.0 |
0.772 |
0 |
0 |
0 |
0.012 |
| 7 |
13 |
|
[ZDM]A:600 |
23 |
1 |
673 |
◊ |
B |
x,y,z |
1_555 |
40 |
12 |
20680 |
254.2 |
-0.5 |
0.776 |
1 |
0 |
0 |
0.015 |
14 |
|
[ZDM]C:600 |
22 |
1 |
677 |
◊ |
D |
x,y,z |
1_555 |
40 |
13 |
21252 |
251.6 |
-1.1 |
0.762 |
1 |
0 |
0 |
0.015 |
| Average: |
252.9 |
-0.8 |
0.769 |
1 |
0 |
0 |
0.015 |
| 8 |
15 |
|
C |
33 |
13 |
20553 |
◊ |
A |
x,y,z |
1_555 |
35 |
15 |
20731 |
252.3 |
-0.6 |
0.931 |
1 |
0 |
0 |
0.005 |
| 9 |
16 |
|
[ZDM]A:443 |
21 |
1 |
678 |
f |
B |
x,y,z |
1_555 |
31 |
10 |
20680 |
215.6 |
-4.3 |
0.416 |
2 |
0 |
0 |
0.051 |
17 |
|
[ZDM]C:443 |
20 |
1 |
679 |
f |
D |
x,y,z |
1_555 |
31 |
9 |
21252 |
211.9 |
-4.2 |
0.433 |
2 |
0 |
0 |
0.051 |
| Average: |
213.8 |
-4.2 |
0.424 |
2 |
0 |
0 |
0.051 |
| 10 |
18 |
|
[ZDM]A:600 |
18 |
1 |
673 |
f |
A |
x,y,z |
1_555 |
29 |
8 |
20731 |
191.5 |
-4.1 |
0.378 |
1 |
0 |
0 |
0.047 |
19 |
|
[ZDM]C:600 |
15 |
1 |
677 |
f |
C |
x,y,z |
1_555 |
28 |
8 |
20553 |
190.4 |
-4.2 |
0.358 |
1 |
0 |
0 |
0.047 |
| Average: |
191.0 |
-4.2 |
0.368 |
1 |
0 |
0 |
0.047 |
| 11 |
20 |
|
D |
19 |
7 |
21252 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
20680 |
131.0 |
-2.2 |
0.597 |
0 |
0 |
0 |
0.010 |
| 12 |
21 |
|
[CIT]C:445 |
9 |
1 |
315 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
20553 |
122.8 |
0.9 |
0.637 |
1 |
0 |
0 |
0.000 |
| 13 |
22 |
|
[CBS]D:500 |
8 |
1 |
590 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
20553 |
110.8 |
-2.3 |
0.470 |
0 |
0 |
0 |
0.046 |
23 |
|
[CBS]B:500 |
8 |
1 |
592 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
20731 |
106.1 |
-2.3 |
0.499 |
0 |
0 |
0 |
0.046 |
24 |
|
[CBS]A:500 |
8 |
1 |
589 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
20680 |
103.2 |
-2.2 |
0.519 |
0 |
0 |
0 |
0.046 |
25 |
|
[CBS]C:500 |
8 |
1 |
595 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
21252 |
99.1 |
-2.2 |
0.524 |
0 |
0 |
0 |
0.046 |
| Average: |
104.8 |
-2.3 |
0.503 |
0 |
0 |
0 |
0.046 |
| 14 |
26 |
|
[MAL]C:700 |
15 |
1 |
450 |
f |
C |
x,y,z |
1_555 |
17 |
3 |
20553 |
109.6 |
0.3 |
0.541 |
1 |
0 |
0 |
0.004 |
27 |
|
[MAL]A:700 |
14 |
1 |
456 |
f |
A |
x,y,z |
1_555 |
15 |
3 |
20731 |
109.4 |
0.3 |
0.493 |
2 |
0 |
0 |
0.004 |
28 |
|
[MAL]B:700 |
15 |
1 |
458 |
f |
B |
x,y,z |
1_555 |
18 |
3 |
20680 |
107.3 |
0.6 |
0.539 |
0 |
0 |
0 |
0.004 |
29 |
|
[MAL]D:700 |
13 |
1 |
455 |
f |
D |
x,y,z |
1_555 |
16 |
3 |
21252 |
106.7 |
0.4 |
0.533 |
0 |
0 |
0 |
0.004 |
| Average: |
108.3 |
0.4 |
0.526 |
1 |
0 |
0 |
0.004 |
| 15 |
30 |
|
[CIT]B:800 |
10 |
1 |
313 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
20731 |
104.3 |
-0.0 |
0.407 |
1 |
0 |
0 |
0.017 |
31 |
|
[CIT]C:800 |
9 |
1 |
314 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
20553 |
102.9 |
-0.1 |
0.440 |
2 |
0 |
0 |
0.017 |
32 |
|
[CIT]D:800 |
10 |
1 |
312 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
21252 |
102.1 |
0.2 |
0.422 |
2 |
0 |
0 |
0.017 |
| Average: |
103.1 |
0.0 |
0.423 |
2 |
0 |
0 |
0.017 |
| 16 |
33 |
|
[CIT]B:443 |
10 |
1 |
311 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
20680 |
98.1 |
0.1 |
0.419 |
2 |
0 |
0 |
0.008 |
| 17 |
34 |
|
[CIT]A:444 |
9 |
1 |
316 |
f |
A |
x,y,z |
1_555 |
22 |
5 |
20731 |
93.3 |
-0.7 |
0.314 |
1 |
0 |
0 |
0.012 |
| 18 |
35 |
|
[CIT]C:444 |
9 |
1 |
309 |
◊ |
B |
-y+1/2,x+1/2,z-1/4 |
3_554 |
12 |
4 |
20680 |
92.8 |
1.7 |
0.597 |
2 |
0 |
0 |
0.000 |
| 19 |
36 |
|
D |
14 |
5 |
21252 |
◊ |
[ZDM]A:443 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
12 |
1 |
678 |
91.2 |
1.1 |
0.810 |
0 |
0 |
0 |
0.000 |
37 |
|
[ZDM]C:443 |
12 |
1 |
679 |
◊ |
B |
-y+1/2,x+1/2,z-1/4 |
3_554 |
14 |
5 |
20680 |
88.7 |
1.0 |
0.810 |
0 |
0 |
0 |
0.000 |
| Average: |
89.9 |
1.0 |
0.810 |
0 |
0 |
0 |
0.000 |
| 20 |
38 |
|
[CIT]C:800 |
8 |
1 |
314 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
21252 |
84.1 |
1.1 |
0.551 |
0 |
0 |
0 |
0.000 |
| 21 |
39 |
|
[CIT]D:800 |
9 |
1 |
312 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
20553 |
83.4 |
1.0 |
0.547 |
0 |
0 |
0 |
0.000 |
40 |
|
[CIT]B:800 |
8 |
1 |
313 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
20680 |
83.4 |
2.0 |
0.659 |
0 |
0 |
0 |
0.000 |
| Average: |
83.4 |
1.5 |
0.603 |
0 |
0 |
0 |
0.000 |
| 22 |
41 |
|
[CIT]B:443 |
8 |
1 |
311 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
20731 |
78.4 |
1.5 |
0.594 |
1 |
0 |
0 |
0.000 |
| 23 |
42 |
|
[CIT]C:444 |
7 |
1 |
309 |
◊ |
C |
x,y,z |
1_555 |
17 |
4 |
20553 |
76.0 |
1.4 |
0.634 |
0 |
0 |
0 |
0.000 |
| 24 |
43 |
|
D |
10 |
3 |
21252 |
◊ |
[CIT]A:444 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
7 |
1 |
316 |
63.6 |
1.0 |
0.574 |
0 |
0 |
0 |
0.000 |
| 25 |
44 |
|
C |
9 |
3 |
20553 |
◊ |
B |
-y+3/2,x+1/2,z-1/4 |
3_654 |
7 |
2 |
20680 |
61.7 |
-0.8 |
0.547 |
0 |
0 |
0 |
0.000 |
45 |
|
D |
4 |
1 |
21252 |
◊ |
A |
-y+3/2,x+1/2,z-1/4 |
3_654 |
6 |
2 |
20731 |
49.1 |
-0.6 |
0.472 |
0 |
0 |
0 |
0.000 |
| Average: |
55.4 |
-0.7 |
0.510 |
0 |
0 |
0 |
0.000 |
| 26 |
46 |
|
C |
5 |
1 |
20553 |
◊ |
B |
-y+1/2,x+1/2,z-1/4 |
3_554 |
5 |
3 |
20680 |
57.6 |
-0.1 |
0.724 |
1 |
1 |
0 |
0.000 |
47 |
|
D |
6 |
3 |
21252 |
◊ |
A |
-y+1/2,x+1/2,z-1/4 |
3_554 |
5 |
1 |
20731 |
56.5 |
-0.3 |
0.727 |
0 |
0 |
0 |
0.000 |
| Average: |
57.1 |
-0.2 |
0.726 |
1 |
1 |
0 |
0.000 |
| 27 |
48 |
|
[CIT]C:444 |
2 |
1 |
309 |
f |
D |
x,y,z |
1_555 |
2 |
2 |
21252 |
14.3 |
0.4 |
0.517 |
0 |
0 |
0 |
0.000 |
| 28 |
49 |
|
[CIT]C:444 |
2 |
1 |
309 |
f |
[ZDM]C:443 |
x,y,z |
1_555 |
3 |
1 |
679 |
9.2 |
0.5 |
0.424 |
0 |
0 |
0 |
0.000 |
| 29 |
50 |
|
[CIT]A:444 |
1 |
1 |
316 |
◊ |
[ZDM]A:443 |
x,y,z |
1_555 |
2 |
1 |
678 |
3.7 |
-0.1 |
0.306 |
0 |
0 |
0 |
0.001 |
| 30 |
51 |
|
[CIT]A:444 |
1 |
1 |
316 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
20680 |
2.0 |
0.1 |
0.376 |
0 |
0 |
0 |
0.000 |
|