| ## |
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 |
73 |
17 |
7551 |
◊ |
A |
x,y,z |
1_555 |
90 |
25 |
7649 |
795.2 |
-12.4 |
0.142 |
9 |
6 |
0 |
0.170 |
2 |
|
C |
92 |
24 |
7697 |
◊ |
A |
x,y,z |
1_555 |
74 |
17 |
7649 |
792.5 |
-13.4 |
0.102 |
7 |
7 |
0 |
0.170 |
3 |
|
C |
76 |
17 |
7697 |
◊ |
B |
x,y,z |
1_555 |
90 |
23 |
7551 |
789.2 |
-12.8 |
0.125 |
8 |
4 |
0 |
0.170 |
| Average: |
792.3 |
-12.9 |
0.123 |
8 |
6 |
0 |
0.170 |
| 2 |
4 |
|
A |
35 |
11 |
7649 |
◊ |
B |
x,y,z-1 |
1_554 |
40 |
10 |
7551 |
369.8 |
-1.6 |
0.554 |
7 |
8 |
0 |
0.000 |
5 |
|
A |
39 |
10 |
7649 |
◊ |
C |
x-1,y-1,z-1 |
1_444 |
32 |
10 |
7697 |
353.3 |
-1.4 |
0.509 |
7 |
8 |
0 |
0.000 |
6 |
|
B |
34 |
11 |
7551 |
◊ |
C |
x,y-1,z |
1_545 |
38 |
10 |
7697 |
352.8 |
-1.2 |
0.559 |
7 |
8 |
0 |
0.000 |
| Average: |
358.6 |
-1.4 |
0.541 |
7 |
8 |
0 |
0.000 |
| 3 |
7 |
|
[MPD]B:713 |
7 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
7551 |
156.7 |
-9.8 |
0.744 |
0 |
0 |
0 |
0.032 |
| 4 |
8 |
|
[MPD]C:707 |
7 |
1 |
278 |
f |
C |
x,y,z |
1_555 |
23 |
8 |
7697 |
154.7 |
-9.8 |
0.722 |
2 |
0 |
0 |
0.035 |
| 5 |
9 |
|
[MPD]C:709 |
7 |
1 |
280 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
7697 |
144.4 |
-10.1 |
0.664 |
1 |
0 |
0 |
0.034 |
| 6 |
10 |
|
[MPD]A:703 |
7 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
7649 |
142.9 |
-10.2 |
0.633 |
0 |
0 |
0 |
0.033 |
| 7 |
11 |
|
[MPD]B:706 |
7 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
7551 |
139.8 |
-9.9 |
0.645 |
1 |
0 |
0 |
0.034 |
| 8 |
12 |
|
[MPD]A:702 |
6 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
7649 |
118.8 |
-8.1 |
0.553 |
0 |
0 |
0 |
0.027 |
| 9 |
13 |
|
[MPD]C:710 |
6 |
1 |
277 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
7697 |
118.2 |
-8.0 |
0.538 |
1 |
0 |
0 |
0.055 |
14 |
|
[MPD]B:705 |
6 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
7551 |
116.2 |
-7.8 |
0.531 |
1 |
0 |
0 |
0.055 |
| Average: |
117.2 |
-7.9 |
0.534 |
1 |
0 |
0 |
0.055 |
| 10 |
15 |
|
[MPD]C:711 |
5 |
1 |
278 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
7697 |
102.9 |
-6.3 |
0.718 |
0 |
0 |
0 |
0.021 |
| 11 |
16 |
|
[GOL]C:805 |
6 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
7697 |
100.3 |
-0.1 |
0.580 |
3 |
0 |
0 |
0.010 |
17 |
|
[GOL]A:801 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
7649 |
95.2 |
0.0 |
0.584 |
2 |
0 |
0 |
0.010 |
18 |
|
[GOL]B:803 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
7551 |
92.3 |
0.1 |
0.598 |
2 |
0 |
0 |
0.010 |
| Average: |
95.9 |
-0.0 |
0.587 |
2 |
0 |
0 |
0.010 |
| 12 |
19 |
|
[MPD]A:712 |
6 |
1 |
276 |
f |
C |
x-1,y-1,z-1 |
1_444 |
14 |
4 |
7697 |
98.6 |
-6.4 |
0.614 |
0 |
0 |
0 |
0.021 |
| 13 |
20 |
|
[MPD]A:715 |
6 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
7649 |
98.2 |
-6.0 |
0.703 |
0 |
0 |
0 |
0.020 |
| 14 |
21 |
|
[MPD]C:708 |
5 |
1 |
277 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
7697 |
90.6 |
-5.6 |
0.751 |
2 |
0 |
0 |
0.021 |
| 15 |
22 |
|
[MPD]A:712 |
5 |
1 |
276 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
7649 |
89.9 |
-5.7 |
0.673 |
1 |
0 |
0 |
0.000 |
| 16 |
23 |
|
B |
14 |
5 |
7551 |
◊ |
[MPD]C:711 |
x,y-1,z |
1_545 |
7 |
1 |
278 |
89.3 |
-5.7 |
0.669 |
0 |
0 |
0 |
0.000 |
| 17 |
24 |
|
[MPD]A:701 |
5 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
7649 |
86.1 |
-5.2 |
0.755 |
1 |
0 |
0 |
0.018 |
| 18 |
25 |
|
B |
12 |
3 |
7551 |
◊ |
[GOL]C:806 |
x,y-1,z |
1_545 |
5 |
1 |
221 |
80.1 |
-0.8 |
0.479 |
1 |
0 |
0 |
0.000 |
| 19 |
26 |
|
A |
12 |
3 |
7649 |
◊ |
[GOL]B:804 |
x,y,z-1 |
1_554 |
6 |
1 |
222 |
80.0 |
-0.3 |
0.564 |
0 |
0 |
0 |
0.000 |
| 20 |
27 |
|
[GOL]A:802 |
5 |
1 |
221 |
◊ |
C |
x-1,y-1,z-1 |
1_444 |
12 |
3 |
7697 |
79.1 |
-0.5 |
0.513 |
0 |
0 |
0 |
0.000 |
| 21 |
28 |
|
[MPD]B:704 |
5 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
7551 |
77.0 |
-4.7 |
0.752 |
1 |
0 |
0 |
0.017 |
| 22 |
29 |
|
[MPD]A:714 |
5 |
1 |
279 |
f |
C |
x-1,y-1,z-1 |
1_444 |
10 |
4 |
7697 |
75.7 |
-3.8 |
0.818 |
0 |
0 |
0 |
0.012 |
| 23 |
30 |
|
A |
10 |
2 |
7649 |
◊ |
[MPD]B:704 |
x,y,z-1 |
1_554 |
4 |
1 |
279 |
75.1 |
-3.3 |
0.910 |
0 |
0 |
0 |
0.000 |
| 24 |
31 |
|
A |
11 |
4 |
7649 |
f |
[MPD]B:716 |
x,y,z-1 |
1_554 |
5 |
1 |
280 |
74.5 |
-4.0 |
0.791 |
0 |
0 |
0 |
0.013 |
| 25 |
32 |
|
B |
10 |
2 |
7551 |
◊ |
[MPD]C:708 |
x,y-1,z |
1_545 |
5 |
1 |
277 |
72.5 |
-3.6 |
0.925 |
0 |
0 |
0 |
0.000 |
| 26 |
33 |
|
[MPD]C:707 |
5 |
1 |
278 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
7649 |
71.1 |
-3.7 |
0.870 |
0 |
0 |
0 |
0.012 |
| 27 |
34 |
|
[MPD]C:717 |
6 |
1 |
277 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
7697 |
67.8 |
-3.5 |
0.715 |
0 |
0 |
0 |
0.000 |
| 28 |
35 |
|
[MPD]B:716 |
6 |
1 |
280 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
7551 |
67.6 |
-2.9 |
0.000 |
1 |
0 |
0 |
0.000 |
| 29 |
36 |
|
[MPD]A:701 |
5 |
1 |
279 |
◊ |
C |
x-1,y-1,z-1 |
1_444 |
10 |
2 |
7697 |
67.0 |
-2.8 |
0.927 |
1 |
0 |
0 |
0.000 |
| 30 |
37 |
|
[MPD]A:714 |
5 |
1 |
279 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
7649 |
66.5 |
-2.7 |
0.905 |
2 |
0 |
0 |
0.000 |
| 31 |
38 |
|
[MPD]B:713 |
4 |
1 |
277 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
7697 |
65.8 |
-3.5 |
0.838 |
1 |
0 |
0 |
0.013 |
| 32 |
39 |
|
B |
8 |
4 |
7551 |
f |
[MPD]C:717 |
x,y-1,z |
1_545 |
6 |
1 |
277 |
63.8 |
-3.5 |
0.786 |
3 |
0 |
0 |
0.016 |
| 33 |
40 |
|
[GOL]A:802 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
10 |
2 |
7649 |
60.0 |
-0.1 |
0.566 |
1 |
0 |
0 |
0.002 |
| 34 |
41 |
|
[GOL]C:806 |
4 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
9 |
2 |
7697 |
59.6 |
0.1 |
0.609 |
1 |
0 |
0 |
0.001 |
| 35 |
42 |
|
[GOL]B:804 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
7551 |
58.6 |
-0.1 |
0.572 |
1 |
0 |
0 |
0.002 |
| 36 |
43 |
|
[MPD]A:715 |
5 |
1 |
280 |
f |
[MPD]A:702 |
x,y,z |
1_555 |
5 |
1 |
279 |
53.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.017 |
| 37 |
44 |
|
[MPD]C:710 |
3 |
1 |
277 |
f |
[MPD]C:709 |
x,y,z |
1_555 |
5 |
1 |
280 |
42.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.013 |
| 38 |
45 |
|
[GOL]B:804 |
5 |
1 |
222 |
f |
[NA]B:505 |
x,y,z |
1_555 |
1 |
1 |
125 |
41.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.096 |
46 |
|
[GOL]A:802 |
5 |
1 |
221 |
f |
[NA]A:504 |
x,y,z |
1_555 |
1 |
1 |
125 |
41.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.096 |
47 |
|
[GOL]C:806 |
5 |
1 |
221 |
f |
[NA]C:506 |
x,y,z |
1_555 |
1 |
1 |
125 |
40.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.096 |
48 |
|
[GOL]B:803 |
5 |
1 |
222 |
f |
[NA]B:505 |
x,y,z |
1_555 |
1 |
1 |
125 |
39.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.096 |
49 |
|
[GOL]C:805 |
5 |
1 |
222 |
f |
[NA]C:506 |
x,y,z |
1_555 |
1 |
1 |
125 |
39.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.096 |
50 |
|
[GOL]A:801 |
5 |
1 |
222 |
f |
[NA]A:504 |
x,y,z |
1_555 |
1 |
1 |
125 |
39.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.096 |
| Average: |
40.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.096 |
| 39 |
51 |
|
[MPD]A:703 |
4 |
1 |
278 |
f |
[MPD]A:702 |
x,y,z |
1_555 |
4 |
1 |
279 |
36.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.012 |
| 40 |
52 |
|
[MPD]B:706 |
4 |
1 |
279 |
f |
[MPD]B:705 |
x,y,z |
1_555 |
3 |
1 |
278 |
36.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.012 |
| 41 |
53 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
7649 |
36.3 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.196 |
54 |
|
[ZN]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
7551 |
35.8 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.196 |
55 |
|
[ZN]C:503 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
7697 |
35.7 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.196 |
| Average: |
35.9 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.196 |
| 42 |
56 |
|
[ZN]A:501 |
1 |
1 |
98 |
◊ |
C |
x-1,y-1,z-1 |
1_444 |
5 |
2 |
7697 |
35.4 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
|
B |
6 |
2 |
7551 |
◊ |
[ZN]C:503 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
35.1 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
|
A |
5 |
2 |
7649 |
◊ |
[ZN]B:502 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
34.8 |
-18.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
35.1 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 43 |
59 |
|
[NA]A:504 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
7649 |
29.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.028 |
60 |
|
[NA]C:506 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
7697 |
29.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.028 |
61 |
|
[NA]B:505 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
7551 |
29.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.028 |
| Average: |
29.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.028 |
| 44 |
62 |
|
[MPD]C:717 |
3 |
1 |
277 |
◊ |
[MPD]C:711 |
x,y,z |
1_555 |
2 |
1 |
278 |
29.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 45 |
63 |
|
[MPD]A:714 |
1 |
1 |
279 |
f |
[MPD]A:712 |
x,y,z |
1_555 |
3 |
1 |
276 |
23.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.007 |
| 46 |
64 |
|
[GOL]B:804 |
4 |
1 |
222 |
f |
[GOL]B:803 |
x,y,z |
1_555 |
2 |
1 |
222 |
19.0 |
0.3 |
0.604 |
1 |
0 |
0 |
0.000 |
| 47 |
65 |
|
[GOL]C:806 |
3 |
1 |
221 |
f |
[GOL]C:805 |
x,y,z |
1_555 |
2 |
1 |
222 |
18.6 |
0.1 |
0.533 |
0 |
0 |
0 |
0.000 |
| 48 |
66 |
|
[GOL]A:802 |
3 |
1 |
221 |
f |
[GOL]A:801 |
x,y,z |
1_555 |
2 |
1 |
222 |
17.4 |
0.1 |
0.525 |
0 |
0 |
0 |
0.000 |
| 49 |
67 |
|
[MPD]A:715 |
1 |
1 |
280 |
◊ |
[MPD]A:714 |
x,y,z |
1_555 |
1 |
1 |
279 |
11.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 50 |
68 |
|
[MPD]A:715 |
1 |
1 |
280 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
7551 |
8.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 51 |
69 |
|
[GOL]A:802 |
1 |
1 |
221 |
◊ |
[MPD]A:714 |
x,y,z |
1_555 |
1 |
1 |
279 |
7.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 52 |
70 |
|
[GOL]B:804 |
1 |
1 |
222 |
◊ |
[MPD]B:716 |
x,y,z |
1_555 |
1 |
1 |
280 |
4.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 53 |
71 |
|
[MPD]B:705 |
1 |
1 |
278 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
7697 |
3.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 54 |
72 |
|
[MPD]A:702 |
1 |
1 |
279 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
7551 |
3.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|