| ## |
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 |
|
F |
114 |
30 |
7025 |
◊ |
E |
x,y,z |
1_555 |
123 |
33 |
7144 |
1109.2 |
-14.1 |
0.089 |
8 |
4 |
0 |
1.000 |
2 |
|
L |
116 |
30 |
6896 |
◊ |
J |
x,y,z |
1_555 |
109 |
28 |
6912 |
1092.1 |
-12.2 |
0.192 |
10 |
0 |
0 |
1.000 |
3 |
|
E |
109 |
29 |
7144 |
◊ |
D |
x,y,z |
1_555 |
117 |
30 |
6807 |
1083.0 |
-12.6 |
0.123 |
9 |
0 |
0 |
1.000 |
4 |
|
B |
100 |
30 |
6947 |
◊ |
A |
x,y,z |
1_555 |
123 |
30 |
6820 |
1074.0 |
-11.2 |
0.161 |
8 |
1 |
0 |
1.000 |
5 |
|
I |
114 |
31 |
6665 |
◊ |
G |
x,y,z |
1_555 |
101 |
26 |
6878 |
1053.7 |
-11.6 |
0.140 |
10 |
1 |
0 |
1.000 |
6 |
|
K |
106 |
27 |
7101 |
◊ |
J |
x,y,z |
1_555 |
116 |
31 |
6912 |
1046.6 |
-13.1 |
0.114 |
6 |
3 |
0 |
1.000 |
7 |
|
C |
105 |
30 |
7025 |
◊ |
B |
x,y,z |
1_555 |
110 |
30 |
6947 |
1043.6 |
-14.0 |
0.099 |
10 |
0 |
0 |
1.000 |
8 |
|
H |
103 |
29 |
7136 |
◊ |
G |
x,y,z |
1_555 |
117 |
32 |
6878 |
1040.6 |
-13.8 |
0.083 |
8 |
0 |
0 |
1.000 |
9 |
|
L |
100 |
28 |
6896 |
◊ |
K |
x,y,z |
1_555 |
108 |
30 |
7101 |
1007.5 |
-15.4 |
0.043 |
11 |
0 |
0 |
1.000 |
10 |
|
I |
99 |
28 |
6665 |
◊ |
H |
x,y,z |
1_555 |
109 |
29 |
7136 |
1005.0 |
-14.6 |
0.052 |
8 |
1 |
0 |
1.000 |
11 |
|
C |
113 |
30 |
7025 |
◊ |
A |
x,y,z |
1_555 |
100 |
27 |
6820 |
996.9 |
-12.6 |
0.109 |
6 |
1 |
0 |
1.000 |
12 |
|
F |
109 |
30 |
7025 |
◊ |
D |
x,y,z |
1_555 |
94 |
26 |
6807 |
969.6 |
-14.5 |
0.049 |
8 |
0 |
0 |
1.000 |
| Average: |
1043.5 |
-13.3 |
0.104 |
9 |
1 |
0 |
1.000 |
| 2 |
13 |
|
K |
53 |
13 |
7101 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
51 |
16 |
7025 |
482.0 |
0.9 |
0.752 |
1 |
4 |
0 |
0.000 |
| 3 |
14 |
|
H |
35 |
11 |
7136 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
33 |
10 |
7025 |
347.6 |
2.1 |
0.824 |
2 |
1 |
0 |
0.000 |
| 4 |
15 |
|
A |
31 |
9 |
6820 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
38 |
10 |
6947 |
299.6 |
3.1 |
0.835 |
1 |
4 |
0 |
0.000 |
16 |
|
D |
31 |
7 |
6807 |
◊ |
E |
-x+2,y-1/2,-z+1 |
2_746 |
36 |
10 |
7144 |
282.0 |
1.0 |
0.705 |
0 |
4 |
0 |
0.000 |
| Average: |
290.8 |
2.0 |
0.770 |
1 |
4 |
0 |
0.000 |
| 5 |
17 |
|
L |
36 |
14 |
6896 |
◊ |
J |
-x+2,y-1/2,-z+2 |
2_747 |
30 |
12 |
6912 |
281.4 |
-3.5 |
0.309 |
0 |
0 |
0 |
0.000 |
18 |
|
I |
31 |
10 |
6665 |
◊ |
G |
-x+1,y-1/2,-z+2 |
2_647 |
26 |
11 |
6878 |
244.8 |
-1.2 |
0.530 |
0 |
1 |
0 |
0.000 |
| Average: |
263.1 |
-2.3 |
0.419 |
0 |
1 |
0 |
0.000 |
| 6 |
19 |
|
E |
28 |
8 |
7144 |
x |
E |
-x+2,y-1/2,-z+1 |
2_746 |
25 |
8 |
7144 |
254.1 |
-1.7 |
0.437 |
0 |
2 |
0 |
0.000 |
20 |
|
B |
31 |
9 |
6947 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
8 |
6947 |
242.4 |
-0.8 |
0.541 |
0 |
1 |
0 |
0.000 |
| Average: |
248.3 |
-1.2 |
0.489 |
0 |
2 |
0 |
0.000 |
| 7 |
21 |
|
I |
29 |
9 |
6665 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
26 |
10 |
6820 |
252.8 |
-0.9 |
0.569 |
1 |
0 |
0 |
0.000 |
22 |
|
L |
30 |
10 |
6896 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
29 |
9 |
6807 |
229.7 |
-0.6 |
0.610 |
3 |
0 |
0 |
0.000 |
| Average: |
241.2 |
-0.7 |
0.590 |
2 |
0 |
0 |
0.000 |
| 8 |
23 |
|
F |
27 |
9 |
7025 |
◊ |
E |
-x+2,y-1/2,-z+1 |
2_746 |
21 |
7 |
7144 |
200.3 |
-1.8 |
0.427 |
0 |
5 |
0 |
0.000 |
24 |
|
C |
27 |
9 |
7025 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
7 |
6947 |
192.6 |
-0.5 |
0.578 |
0 |
3 |
0 |
0.000 |
| Average: |
196.5 |
-1.2 |
0.502 |
0 |
4 |
0 |
0.000 |
| 9 |
25 |
|
K |
28 |
8 |
7101 |
◊ |
H |
-x+1,y-1/2,-z+2 |
2_647 |
18 |
7 |
7136 |
192.2 |
-0.3 |
0.475 |
0 |
1 |
0 |
0.000 |
| 10 |
26 |
|
H |
22 |
7 |
7136 |
◊ |
L |
x-1,y,z |
1_455 |
19 |
7 |
6896 |
175.8 |
0.5 |
0.694 |
0 |
1 |
0 |
0.000 |
| 11 |
27 |
|
L |
17 |
5 |
6896 |
x |
L |
-x+2,y-1/2,-z+2 |
2_747 |
22 |
6 |
6896 |
169.2 |
2.0 |
0.836 |
1 |
5 |
0 |
0.000 |
28 |
|
I |
18 |
5 |
6665 |
x |
I |
-x+1,y-1/2,-z+2 |
2_647 |
21 |
6 |
6665 |
152.2 |
1.3 |
0.780 |
1 |
4 |
0 |
0.000 |
| Average: |
160.7 |
1.6 |
0.808 |
1 |
5 |
0 |
0.000 |
| 12 |
29 |
|
[TSA]A:203 |
12 |
1 |
344 |
◊ |
C |
x,y,z |
1_555 |
25 |
7 |
7025 |
156.1 |
2.1 |
0.538 |
0 |
0 |
0 |
0.000 |
30 |
|
[TSA]K:210 |
12 |
1 |
342 |
◊ |
J |
x,y,z |
1_555 |
25 |
7 |
6912 |
143.9 |
0.7 |
0.412 |
0 |
0 |
0 |
0.000 |
31 |
|
[TSA]B:201 |
13 |
1 |
342 |
◊ |
A |
x,y,z |
1_555 |
22 |
7 |
6820 |
143.4 |
1.4 |
0.441 |
1 |
0 |
0 |
0.000 |
32 |
|
[TSA]J:212 |
12 |
1 |
343 |
◊ |
L |
x,y,z |
1_555 |
25 |
7 |
6896 |
142.0 |
0.6 |
0.377 |
0 |
0 |
0 |
0.000 |
33 |
|
[TSA]E:204 |
12 |
1 |
343 |
◊ |
D |
x,y,z |
1_555 |
26 |
7 |
6807 |
141.6 |
1.3 |
0.446 |
0 |
0 |
0 |
0.000 |
34 |
|
[TSA]L:211 |
13 |
1 |
340 |
◊ |
K |
x,y,z |
1_555 |
23 |
7 |
7101 |
140.7 |
0.6 |
0.342 |
0 |
0 |
0 |
0.000 |
35 |
|
[TSA]G:209 |
14 |
1 |
342 |
◊ |
I |
x,y,z |
1_555 |
24 |
7 |
6665 |
140.5 |
0.9 |
0.377 |
0 |
0 |
0 |
0.000 |
36 |
|
[TSA]F:205 |
13 |
1 |
343 |
◊ |
E |
x,y,z |
1_555 |
23 |
8 |
7144 |
138.7 |
1.0 |
0.383 |
0 |
0 |
0 |
0.000 |
37 |
|
[TSA]H:207 |
10 |
1 |
346 |
◊ |
G |
x,y,z |
1_555 |
24 |
7 |
6878 |
137.7 |
0.6 |
0.379 |
0 |
0 |
0 |
0.000 |
38 |
|
[TSA]C:202 |
12 |
1 |
343 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
6947 |
136.8 |
0.7 |
0.366 |
0 |
0 |
0 |
0.000 |
| Average: |
142.1 |
1.0 |
0.406 |
0 |
0 |
0 |
0.000 |
| 13 |
39 |
|
C |
15 |
7 |
7025 |
◊ |
D |
x-1,y,z |
1_455 |
19 |
7 |
6807 |
155.6 |
2.5 |
0.865 |
0 |
0 |
0 |
0.000 |
| 14 |
40 |
|
K |
16 |
4 |
7101 |
◊ |
G |
-x+1,y-1/2,-z+2 |
2_647 |
22 |
7 |
6878 |
155.4 |
-1.8 |
0.388 |
1 |
0 |
0 |
0.000 |
| 15 |
41 |
|
[TSA]D:206 |
11 |
1 |
341 |
◊ |
F |
x,y,z |
1_555 |
25 |
7 |
7025 |
147.9 |
1.0 |
0.424 |
0 |
0 |
0 |
0.000 |
| 16 |
42 |
|
[TSA]I:208 |
12 |
1 |
344 |
◊ |
H |
x,y,z |
1_555 |
25 |
7 |
7136 |
142.4 |
0.6 |
0.360 |
0 |
0 |
0 |
0.000 |
| 17 |
43 |
|
[TSA]H:207 |
13 |
1 |
346 |
f |
H |
x,y,z |
1_555 |
18 |
6 |
7136 |
140.7 |
1.7 |
0.401 |
4 |
0 |
0 |
0.100 |
44 |
|
[TSA]B:201 |
13 |
1 |
342 |
f |
B |
x,y,z |
1_555 |
21 |
6 |
6947 |
137.2 |
1.5 |
0.428 |
3 |
0 |
0 |
0.100 |
45 |
|
[TSA]F:205 |
13 |
1 |
343 |
f |
F |
x,y,z |
1_555 |
20 |
6 |
7025 |
137.0 |
2.1 |
0.456 |
5 |
0 |
0 |
0.100 |
46 |
|
[TSA]K:210 |
13 |
1 |
342 |
f |
K |
x,y,z |
1_555 |
19 |
6 |
7101 |
132.0 |
0.6 |
0.394 |
2 |
0 |
0 |
0.100 |
47 |
|
[TSA]L:211 |
11 |
1 |
340 |
f |
L |
x,y,z |
1_555 |
18 |
5 |
6896 |
130.6 |
2.4 |
0.499 |
5 |
0 |
0 |
0.100 |
| Average: |
135.5 |
1.7 |
0.435 |
4 |
0 |
0 |
0.100 |
| 18 |
48 |
|
[TSA]E:204 |
13 |
1 |
343 |
f |
E |
x,y,z |
1_555 |
19 |
6 |
7144 |
135.7 |
1.4 |
0.416 |
3 |
0 |
0 |
0.100 |
49 |
|
[TSA]J:212 |
13 |
1 |
343 |
f |
J |
x,y,z |
1_555 |
17 |
6 |
6912 |
133.4 |
1.7 |
0.429 |
3 |
0 |
0 |
0.100 |
50 |
|
[TSA]G:209 |
13 |
1 |
342 |
f |
G |
x,y,z |
1_555 |
18 |
6 |
6878 |
133.1 |
1.4 |
0.418 |
4 |
0 |
0 |
0.100 |
51 |
|
[TSA]I:208 |
11 |
1 |
344 |
f |
I |
x,y,z |
1_555 |
17 |
5 |
6665 |
128.3 |
2.3 |
0.477 |
6 |
0 |
0 |
0.100 |
52 |
|
[TSA]A:203 |
11 |
1 |
344 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
6820 |
124.5 |
2.0 |
0.480 |
2 |
0 |
0 |
0.100 |
| Average: |
131.0 |
1.8 |
0.444 |
4 |
0 |
0 |
0.100 |
| 19 |
53 |
|
[TSA]C:202 |
13 |
1 |
343 |
f |
C |
x,y,z |
1_555 |
20 |
6 |
7025 |
135.5 |
1.4 |
0.425 |
3 |
0 |
0 |
0.000 |
| 20 |
54 |
|
[TSA]D:206 |
11 |
1 |
341 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
6807 |
122.9 |
0.1 |
0.340 |
3 |
0 |
0 |
0.100 |
| 21 |
55 |
|
D |
18 |
8 |
6807 |
◊ |
J |
-x+2,y-1/2,-z+1 |
2_746 |
17 |
5 |
6912 |
121.7 |
1.1 |
0.772 |
0 |
1 |
0 |
0.000 |
56 |
|
A |
11 |
6 |
6820 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
5 |
6878 |
55.9 |
0.7 |
0.727 |
0 |
0 |
0 |
0.000 |
| Average: |
88.8 |
0.9 |
0.749 |
0 |
1 |
0 |
0.000 |
| 22 |
57 |
|
D |
10 |
5 |
6807 |
◊ |
L |
x,y,z-1 |
1_554 |
15 |
5 |
6896 |
121.1 |
1.0 |
0.736 |
2 |
0 |
0 |
0.000 |
58 |
|
A |
12 |
4 |
6820 |
◊ |
I |
x,y,z-1 |
1_554 |
13 |
6 |
6665 |
105.3 |
2.1 |
0.839 |
1 |
2 |
0 |
0.000 |
| Average: |
113.2 |
1.5 |
0.788 |
2 |
1 |
0 |
0.000 |
| 23 |
59 |
|
K |
15 |
5 |
7101 |
◊ |
I |
x,y,z |
1_555 |
15 |
5 |
6665 |
113.0 |
1.3 |
0.782 |
0 |
0 |
0 |
0.000 |
| 24 |
60 |
|
F |
19 |
6 |
7025 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
6820 |
110.5 |
1.0 |
0.760 |
0 |
0 |
0 |
0.000 |
| 25 |
61 |
|
H |
11 |
4 |
7136 |
◊ |
J |
-x+1,y-1/2,-z+2 |
2_647 |
13 |
3 |
6912 |
107.8 |
-0.5 |
0.551 |
0 |
2 |
0 |
0.000 |
| 26 |
62 |
|
F |
6 |
2 |
7025 |
◊ |
L |
x,y,z-1 |
1_554 |
6 |
3 |
6896 |
69.0 |
0.3 |
0.576 |
0 |
0 |
0 |
0.000 |
63 |
|
C |
5 |
2 |
7025 |
◊ |
I |
x,y,z-1 |
1_554 |
6 |
3 |
6665 |
54.0 |
0.1 |
0.487 |
0 |
0 |
0 |
0.000 |
| Average: |
61.5 |
0.2 |
0.531 |
0 |
0 |
0 |
0.000 |
| 27 |
64 |
|
E |
5 |
3 |
7144 |
◊ |
F |
-x+2,y-1/2,-z+1 |
2_746 |
8 |
2 |
7025 |
65.1 |
-0.1 |
0.539 |
0 |
1 |
0 |
0.000 |
65 |
|
B |
7 |
3 |
6947 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
2 |
7025 |
53.8 |
-0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
| Average: |
59.5 |
-0.1 |
0.569 |
0 |
1 |
0 |
0.000 |
| 28 |
66 |
|
H |
9 |
3 |
7136 |
◊ |
K |
-x+1,y-1/2,-z+2 |
2_647 |
7 |
3 |
7101 |
55.2 |
-0.7 |
0.413 |
0 |
0 |
0 |
0.000 |
| 29 |
67 |
|
J |
5 |
1 |
6912 |
◊ |
E |
-x+2,y-1/2,-z+1 |
2_746 |
5 |
1 |
7144 |
47.5 |
-0.1 |
0.596 |
0 |
0 |
0 |
0.000 |
68 |
|
G |
6 |
1 |
6878 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
6947 |
46.8 |
-0.1 |
0.603 |
0 |
0 |
0 |
0.000 |
| Average: |
47.1 |
-0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
| 30 |
69 |
|
K |
6 |
2 |
7101 |
◊ |
L |
-x+2,y-1/2,-z+2 |
2_747 |
6 |
3 |
6896 |
36.2 |
0.4 |
0.691 |
0 |
0 |
0 |
0.000 |
70 |
|
H |
3 |
1 |
7136 |
◊ |
I |
-x+1,y-1/2,-z+2 |
2_647 |
5 |
3 |
6665 |
18.3 |
-0.1 |
0.589 |
0 |
0 |
0 |
0.000 |
| Average: |
27.2 |
0.2 |
0.640 |
0 |
0 |
0 |
0.000 |
| 31 |
71 |
|
G |
1 |
1 |
6878 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
7144 |
3.0 |
0.2 |
0.787 |
0 |
0 |
0 |
0.000 |
| 32 |
72 |
|
L |
1 |
1 |
6896 |
◊ |
F |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
7025 |
1.6 |
-0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
73 |
|
H |
1 |
1 |
7136 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
6820 |
0.7 |
-0.0 |
0.627 |
0 |
0 |
0 |
0.000 |
| Average: |
1.2 |
-0.0 |
0.617 |
0 |
0 |
0 |
0.000 |
| 33 |
74 |
|
I |
1 |
1 |
6665 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
7025 |
1.4 |
0.0 |
0.720 |
0 |
0 |
0 |
0.000 |
|