| ## |
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 |
|
E |
302 |
87 |
19120 |
◊ |
D |
x,y,z |
1_555 |
287 |
79 |
18793 |
3000.2 |
-49.3 |
0.011 |
31 |
7 |
0 |
1.000 |
2 |
|
F |
283 |
78 |
18915 |
◊ |
D |
x,y,z |
1_555 |
300 |
86 |
18793 |
2992.1 |
-49.6 |
0.010 |
25 |
3 |
0 |
1.000 |
3 |
|
B |
300 |
85 |
18685 |
◊ |
A |
x,y,z |
1_555 |
293 |
79 |
18922 |
2974.4 |
-50.1 |
0.013 |
28 |
5 |
0 |
1.000 |
4 |
|
C |
295 |
87 |
18867 |
◊ |
B |
x,y,z |
1_555 |
288 |
79 |
18685 |
2973.0 |
-48.9 |
0.015 |
30 |
6 |
0 |
1.000 |
5 |
|
C |
295 |
79 |
18867 |
◊ |
A |
x,y,z |
1_555 |
295 |
85 |
18922 |
2967.8 |
-50.7 |
0.009 |
30 |
2 |
0 |
1.000 |
6 |
|
F |
292 |
86 |
18915 |
◊ |
E |
x,y,z |
1_555 |
295 |
79 |
19120 |
2960.9 |
-49.3 |
0.012 |
30 |
5 |
0 |
1.000 |
| Average: |
2978.0 |
-49.7 |
0.012 |
29 |
5 |
0 |
1.000 |
| 2 |
7 |
|
I |
42 |
12 |
4791 |
◊ |
C |
x,y-1,z |
1_545 |
56 |
16 |
18867 |
446.3 |
-6.3 |
0.201 |
5 |
0 |
0 |
0.043 |
| 3 |
8 |
|
F |
36 |
11 |
18915 |
◊ |
B |
x,y,z |
1_555 |
39 |
13 |
18685 |
354.0 |
2.7 |
0.857 |
9 |
0 |
0 |
0.000 |
| 4 |
9 |
|
J |
29 |
11 |
5062 |
◊ |
E |
x,y,z |
1_555 |
40 |
12 |
19120 |
352.7 |
-5.2 |
0.126 |
1 |
2 |
0 |
0.080 |
10 |
|
G |
26 |
11 |
4837 |
◊ |
B |
x,y,z |
1_555 |
38 |
11 |
18685 |
312.6 |
-6.6 |
0.044 |
0 |
0 |
0 |
0.080 |
11 |
|
K |
24 |
9 |
4673 |
◊ |
F |
x,y,z |
1_555 |
36 |
10 |
18915 |
303.0 |
-4.9 |
0.055 |
1 |
1 |
0 |
0.080 |
| Average: |
322.8 |
-5.5 |
0.075 |
1 |
1 |
0 |
0.080 |
| 5 |
12 |
|
E |
28 |
10 |
19120 |
◊ |
C |
x,y,z |
1_555 |
30 |
8 |
18867 |
297.9 |
1.1 |
0.790 |
3 |
0 |
0 |
0.000 |
| 6 |
13 |
|
H |
21 |
8 |
1162 |
◊ |
A |
x,y,z |
1_555 |
33 |
10 |
18922 |
279.2 |
-5.5 |
0.345 |
0 |
0 |
0 |
0.769 |
14 |
|
L |
18 |
7 |
1162 |
◊ |
C |
x,y,z |
1_555 |
29 |
9 |
18867 |
268.3 |
-7.1 |
0.192 |
0 |
0 |
0 |
0.769 |
| Average: |
273.7 |
-6.3 |
0.268 |
0 |
0 |
0 |
0.769 |
| 7 |
15 |
|
B |
32 |
8 |
18685 |
◊ |
A |
x-1,y,z |
1_455 |
31 |
9 |
18922 |
271.9 |
-1.2 |
0.627 |
2 |
1 |
0 |
0.000 |
| 8 |
16 |
|
I |
22 |
8 |
4791 |
◊ |
D |
x,y,z |
1_555 |
33 |
9 |
18793 |
252.3 |
-5.6 |
0.081 |
1 |
0 |
0 |
0.025 |
| 9 |
17 |
|
G |
28 |
9 |
4837 |
◊ |
C |
x,y,z |
1_555 |
23 |
7 |
18867 |
231.7 |
0.7 |
0.674 |
5 |
12 |
0 |
0.038 |
18 |
|
J |
26 |
8 |
5062 |
◊ |
F |
x,y,z |
1_555 |
24 |
7 |
18915 |
229.1 |
1.6 |
0.805 |
5 |
11 |
0 |
0.038 |
19 |
|
K |
24 |
8 |
4673 |
◊ |
D |
x,y,z |
1_555 |
20 |
7 |
18793 |
207.2 |
1.4 |
0.722 |
5 |
12 |
0 |
0.038 |
| Average: |
222.7 |
1.2 |
0.733 |
5 |
12 |
0 |
0.038 |
| 10 |
20 |
|
E |
26 |
10 |
19120 |
◊ |
C |
x,y,z-1 |
1_554 |
19 |
4 |
18867 |
208.6 |
0.9 |
0.805 |
2 |
0 |
0 |
0.000 |
21 |
|
F |
19 |
4 |
18915 |
◊ |
B |
x,y,z-1 |
1_554 |
24 |
11 |
18685 |
206.6 |
0.8 |
0.803 |
5 |
0 |
0 |
0.000 |
| Average: |
207.6 |
0.9 |
0.804 |
4 |
0 |
0 |
0.000 |
| 11 |
22 |
|
D |
35 |
11 |
18793 |
◊ |
E |
x-1,y,z |
1_455 |
27 |
10 |
19120 |
206.5 |
0.6 |
0.769 |
3 |
3 |
0 |
0.000 |
| 12 |
23 |
|
[MES]F:401 |
11 |
1 |
335 |
◊ |
F |
x,y,z |
1_555 |
30 |
11 |
18915 |
196.9 |
4.0 |
0.294 |
0 |
0 |
0 |
0.000 |
24 |
|
[MES]C:401 |
12 |
1 |
327 |
◊ |
C |
x,y,z |
1_555 |
29 |
10 |
18867 |
188.5 |
3.9 |
0.199 |
0 |
0 |
0 |
0.000 |
| Average: |
192.7 |
4.0 |
0.247 |
0 |
0 |
0 |
0.000 |
| 13 |
25 |
|
J |
19 |
3 |
5062 |
◊ |
E |
x,y-1,z |
1_545 |
24 |
8 |
19120 |
193.0 |
-3.4 |
0.223 |
2 |
0 |
0 |
0.000 |
| 14 |
26 |
|
[MES]E:401 |
12 |
1 |
337 |
◊ |
E |
x,y,z |
1_555 |
27 |
10 |
19120 |
189.9 |
4.0 |
0.194 |
0 |
0 |
0 |
0.000 |
| 15 |
27 |
|
[MES]A:401 |
12 |
1 |
336 |
◊ |
A |
x,y,z |
1_555 |
28 |
11 |
18922 |
189.7 |
4.0 |
0.209 |
0 |
0 |
0 |
0.000 |
| 16 |
28 |
|
[MES]B:401 |
12 |
1 |
328 |
◊ |
B |
x,y,z |
1_555 |
26 |
10 |
18685 |
187.7 |
3.8 |
0.215 |
0 |
0 |
0 |
0.000 |
| 17 |
29 |
|
[MES]D:401 |
12 |
1 |
334 |
◊ |
D |
x,y,z |
1_555 |
31 |
10 |
18793 |
187.5 |
3.9 |
0.230 |
0 |
0 |
0 |
0.000 |
| 18 |
30 |
|
[MES]A:402 |
11 |
1 |
338 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
18922 |
177.9 |
3.9 |
0.191 |
0 |
0 |
0 |
0.000 |
| 19 |
31 |
|
[PNS]G:101 |
12 |
1 |
502 |
◊ |
C |
x,y,z |
1_555 |
21 |
7 |
18867 |
170.8 |
-5.5 |
0.493 |
2 |
0 |
0 |
0.866 |
32 |
|
[PNS]J:101 |
13 |
1 |
498 |
◊ |
F |
x,y,z |
1_555 |
21 |
7 |
18915 |
170.5 |
-5.8 |
0.487 |
2 |
0 |
0 |
0.866 |
33 |
|
[PNS]K:101 |
12 |
1 |
498 |
◊ |
D |
x,y,z |
1_555 |
20 |
7 |
18793 |
168.6 |
-5.2 |
0.492 |
3 |
0 |
0 |
0.866 |
34 |
|
[PNS]H:101 |
11 |
1 |
498 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
18685 |
167.6 |
-5.3 |
0.487 |
2 |
0 |
0 |
0.866 |
35 |
|
[PNS]L:101 |
11 |
1 |
497 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
18922 |
167.3 |
-5.3 |
0.465 |
1 |
0 |
0 |
0.866 |
| Average: |
169.0 |
-5.4 |
0.485 |
2 |
0 |
0 |
0.866 |
| 20 |
36 |
|
[PNS]I:101 |
10 |
1 |
547 |
◊ |
E |
x,y,z |
1_555 |
20 |
6 |
19120 |
157.8 |
-5.9 |
0.488 |
2 |
0 |
0 |
0.028 |
| 21 |
37 |
|
I |
30 |
9 |
4791 |
◊ |
E |
x,y,z |
1_555 |
14 |
6 |
19120 |
152.9 |
1.7 |
0.778 |
4 |
6 |
0 |
0.004 |
| 22 |
38 |
|
F |
14 |
6 |
18915 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
18922 |
151.6 |
2.3 |
0.850 |
4 |
0 |
0 |
0.000 |
| 23 |
39 |
|
D |
16 |
5 |
18793 |
◊ |
C |
x-1,y,z |
1_455 |
17 |
4 |
18867 |
130.7 |
-0.7 |
0.604 |
0 |
0 |
0 |
0.000 |
40 |
|
F |
16 |
4 |
18915 |
◊ |
A |
x-1,y,z |
1_455 |
14 |
6 |
18922 |
113.8 |
-1.0 |
0.497 |
0 |
0 |
0 |
0.000 |
| Average: |
122.3 |
-0.8 |
0.550 |
0 |
0 |
0 |
0.000 |
| 24 |
41 |
|
E |
11 |
4 |
19120 |
◊ |
A |
x,y,z-1 |
1_554 |
13 |
3 |
18922 |
118.0 |
0.0 |
0.644 |
0 |
0 |
0 |
0.000 |
42 |
|
D |
12 |
3 |
18793 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
2 |
18685 |
94.6 |
-1.4 |
0.340 |
0 |
0 |
0 |
0.000 |
| Average: |
106.3 |
-0.7 |
0.492 |
0 |
0 |
0 |
0.000 |
| 25 |
43 |
|
[PNS]K:101 |
13 |
1 |
498 |
◊ |
E |
x,y,z |
1_555 |
19 |
8 |
19120 |
115.4 |
-3.5 |
0.606 |
2 |
0 |
0 |
0.046 |
44 |
|
[PNS]G:101 |
13 |
1 |
502 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
18922 |
115.4 |
-3.8 |
0.552 |
1 |
0 |
0 |
0.046 |
45 |
|
[PNS]J:101 |
12 |
1 |
498 |
◊ |
D |
x,y,z |
1_555 |
19 |
7 |
18793 |
115.0 |
-2.9 |
0.610 |
2 |
0 |
0 |
0.046 |
46 |
|
[PNS]L:101 |
13 |
1 |
497 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
18685 |
109.2 |
-2.8 |
0.656 |
1 |
0 |
0 |
0.046 |
47 |
|
[PNS]H:101 |
13 |
1 |
498 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
18867 |
107.8 |
-3.1 |
0.602 |
1 |
0 |
0 |
0.046 |
| Average: |
112.6 |
-3.2 |
0.605 |
1 |
0 |
0 |
0.046 |
| 26 |
48 |
|
L |
13 |
5 |
1162 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
18922 |
114.2 |
0.2 |
0.759 |
3 |
10 |
0 |
0.339 |
49 |
|
H |
12 |
5 |
1162 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
18685 |
110.9 |
0.5 |
0.860 |
4 |
7 |
0 |
0.339 |
| Average: |
112.5 |
0.4 |
0.809 |
4 |
9 |
0 |
0.339 |
| 27 |
50 |
|
D |
11 |
2 |
18793 |
◊ |
C |
x,y,z |
1_555 |
19 |
8 |
18867 |
103.2 |
1.2 |
0.802 |
0 |
0 |
0 |
0.000 |
| 28 |
51 |
|
[PNS]I:101 |
9 |
1 |
547 |
◊ |
F |
x,y,z |
1_555 |
15 |
7 |
18915 |
102.3 |
-2.9 |
0.652 |
1 |
0 |
0 |
0.014 |
| 29 |
52 |
|
[PNS]I:101 |
9 |
1 |
547 |
◊ |
D |
x,y,z |
1_555 |
15 |
3 |
18793 |
101.5 |
-2.6 |
0.757 |
0 |
0 |
0 |
0.011 |
| 30 |
53 |
|
[PNS]I:101 |
6 |
1 |
547 |
cf |
I |
x,y,z |
1_555 |
14 |
4 |
4791 |
97.6 |
-1.4 |
0.641 |
1 |
0 |
0 |
0.100 |
| 31 |
54 |
|
F |
9 |
3 |
18915 |
◊ |
K |
x-1,y+1,z |
1_465 |
9 |
2 |
4673 |
86.0 |
-0.9 |
0.393 |
0 |
0 |
0 |
0.000 |
| 32 |
55 |
|
[PNS]K:101 |
6 |
1 |
498 |
◊ |
F |
x,y,z |
1_555 |
9 |
3 |
18915 |
71.2 |
-1.9 |
0.642 |
2 |
0 |
0 |
0.333 |
56 |
|
[PNS]G:101 |
6 |
1 |
502 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
18685 |
71.0 |
-2.1 |
0.628 |
2 |
0 |
0 |
0.333 |
57 |
|
[PNS]L:101 |
6 |
1 |
497 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
18867 |
71.0 |
-2.0 |
0.618 |
2 |
0 |
0 |
0.333 |
58 |
|
[PNS]J:101 |
7 |
1 |
498 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
19120 |
70.7 |
-1.2 |
0.698 |
2 |
0 |
0 |
0.333 |
59 |
|
[PNS]H:101 |
6 |
1 |
498 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
18922 |
66.1 |
-2.0 |
0.622 |
1 |
0 |
0 |
0.333 |
| Average: |
70.0 |
-1.8 |
0.641 |
2 |
0 |
0 |
0.333 |
| 33 |
60 |
|
F |
9 |
2 |
18915 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
1 |
18685 |
69.3 |
1.6 |
0.886 |
0 |
0 |
0 |
0.000 |
61 |
|
E |
5 |
1 |
19120 |
◊ |
C |
x-1,y,z |
1_455 |
6 |
2 |
18867 |
53.0 |
0.7 |
0.706 |
0 |
0 |
0 |
0.000 |
| Average: |
61.1 |
1.2 |
0.796 |
0 |
0 |
0 |
0.000 |
| 34 |
62 |
|
[PNS]H:101 |
5 |
1 |
498 |
cf |
H |
x,y,z |
1_555 |
3 |
1 |
1162 |
49.6 |
0.5 |
0.793 |
0 |
0 |
0 |
0.000 |
63 |
|
[PNS]L:101 |
5 |
1 |
497 |
cf |
L |
x,y,z |
1_555 |
3 |
1 |
1162 |
48.7 |
0.4 |
0.806 |
0 |
0 |
0 |
0.000 |
| Average: |
49.2 |
0.5 |
0.800 |
0 |
0 |
0 |
0.000 |
| 35 |
64 |
|
[PNS]G:101 |
5 |
1 |
502 |
cf |
G |
x,y,z |
1_555 |
5 |
2 |
4837 |
47.9 |
0.5 |
0.682 |
0 |
0 |
0 |
0.000 |
65 |
|
[PNS]K:101 |
5 |
1 |
498 |
cf |
K |
x,y,z |
1_555 |
3 |
1 |
4673 |
47.2 |
0.5 |
0.680 |
0 |
0 |
0 |
0.000 |
66 |
|
[PNS]J:101 |
5 |
1 |
498 |
cf |
J |
x,y,z |
1_555 |
2 |
1 |
5062 |
46.1 |
0.5 |
0.701 |
0 |
0 |
0 |
0.000 |
| Average: |
47.1 |
0.5 |
0.688 |
0 |
0 |
0 |
0.000 |
| 36 |
67 |
|
[MES]A:402 |
6 |
1 |
338 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
18685 |
42.9 |
0.7 |
0.060 |
0 |
0 |
0 |
0.000 |
| 37 |
68 |
|
K |
3 |
3 |
4673 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
19120 |
34.3 |
-0.4 |
0.363 |
0 |
0 |
0 |
0.005 |
69 |
|
G |
1 |
1 |
4837 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
18922 |
25.0 |
-0.8 |
0.095 |
0 |
0 |
0 |
0.005 |
70 |
|
J |
1 |
1 |
5062 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
18793 |
24.1 |
-0.8 |
0.098 |
0 |
0 |
0 |
0.005 |
| Average: |
27.8 |
-0.6 |
0.185 |
0 |
0 |
0 |
0.005 |
| 38 |
71 |
|
[MES]F:401 |
2 |
1 |
335 |
f |
E |
x,y,z |
1_555 |
2 |
2 |
19120 |
24.5 |
0.5 |
0.263 |
0 |
0 |
0 |
0.000 |
72 |
|
[MES]C:401 |
2 |
1 |
327 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
18685 |
15.3 |
0.1 |
0.154 |
0 |
0 |
0 |
0.000 |
| Average: |
19.9 |
0.3 |
0.208 |
0 |
0 |
0 |
0.000 |
| 39 |
73 |
|
[MES]A:401 |
4 |
1 |
336 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
18867 |
22.0 |
0.3 |
0.080 |
0 |
0 |
0 |
0.000 |
| 40 |
74 |
|
L |
1 |
1 |
1162 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
18685 |
21.8 |
-0.7 |
0.248 |
0 |
0 |
0 |
0.005 |
75 |
|
H |
2 |
1 |
1162 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
18867 |
18.8 |
-0.6 |
0.337 |
0 |
0 |
0 |
0.005 |
| Average: |
20.3 |
-0.6 |
0.293 |
0 |
0 |
0 |
0.005 |
| 41 |
76 |
|
[MES]E:401 |
4 |
1 |
337 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
18793 |
18.4 |
0.1 |
0.041 |
0 |
0 |
0 |
0.000 |
| 42 |
77 |
|
[MES]D:401 |
4 |
1 |
334 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
18915 |
16.1 |
0.1 |
0.047 |
0 |
0 |
0 |
0.000 |
| 43 |
78 |
|
I |
1 |
1 |
4791 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
18915 |
15.2 |
-0.5 |
0.162 |
0 |
0 |
0 |
0.002 |
| 44 |
79 |
|
[MES]B:401 |
3 |
1 |
328 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
18922 |
15.2 |
0.2 |
0.137 |
0 |
0 |
0 |
0.000 |
| 45 |
80 |
|
E |
3 |
2 |
19120 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
18867 |
12.8 |
-0.1 |
0.615 |
0 |
0 |
0 |
0.000 |
| 46 |
81 |
|
J |
2 |
1 |
5062 |
◊ |
F |
x,y-1,z |
1_545 |
3 |
1 |
18915 |
11.4 |
0.2 |
0.636 |
0 |
0 |
0 |
0.000 |
| 47 |
82 |
|
K |
2 |
1 |
4673 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
18922 |
10.1 |
0.3 |
0.762 |
0 |
0 |
0 |
0.000 |
| 48 |
83 |
|
D |
1 |
1 |
18793 |
◊ |
A |
x-1,y,z-1 |
1_454 |
1 |
1 |
18922 |
0.2 |
-0.0 |
0.619 |
0 |
0 |
0 |
0.000 |
|