## |
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 |
138 |
35 |
6724 |
◊ |
E |
x,y,z |
1_555 |
151 |
45 |
15237 |
1336.3 |
-8.2 |
0.172 |
23 |
7 |
0 |
1.000 |
2 |
|
N |
136 |
35 |
6696 |
◊ |
M |
x,y,z |
1_555 |
133 |
40 |
15099 |
1269.3 |
-9.9 |
0.216 |
21 |
5 |
0 |
1.000 |
3 |
|
J |
136 |
34 |
6844 |
◊ |
I |
x,y,z |
1_555 |
133 |
43 |
15169 |
1259.0 |
-11.4 |
0.183 |
18 |
9 |
0 |
1.000 |
4 |
|
B |
130 |
34 |
6689 |
◊ |
A |
x,y,z |
1_555 |
137 |
43 |
14948 |
1231.7 |
-8.4 |
0.212 |
20 |
7 |
0 |
1.000 |
Average: |
1274.1 |
-9.5 |
0.196 |
21 |
7 |
0 |
1.000 |
2 |
5 |
|
C |
67 |
9 |
1577 |
◊ |
A |
x,y,z |
1_555 |
120 |
36 |
14948 |
888.3 |
-10.8 |
0.301 |
14 |
0 |
0 |
0.642 |
6 |
|
O |
67 |
9 |
1572 |
◊ |
M |
x,y,z |
1_555 |
116 |
36 |
15099 |
879.7 |
-11.1 |
0.296 |
14 |
0 |
0 |
0.642 |
7 |
|
G |
71 |
9 |
1520 |
◊ |
E |
x,y,z |
1_555 |
118 |
35 |
15237 |
873.6 |
-9.6 |
0.434 |
15 |
0 |
0 |
0.642 |
8 |
|
K |
71 |
9 |
1525 |
◊ |
I |
x,y,z |
1_555 |
120 |
35 |
15169 |
863.7 |
-9.9 |
0.433 |
16 |
0 |
0 |
0.642 |
Average: |
876.3 |
-10.3 |
0.366 |
15 |
0 |
0 |
0.642 |
3 |
9 |
|
I |
63 |
21 |
15169 |
◊ |
A |
-x+y-1,y-1,-z+1/3 |
5_445 |
61 |
23 |
14948 |
551.3 |
3.2 |
0.803 |
3 |
2 |
0 |
0.000 |
10 |
|
E |
55 |
21 |
15237 |
◊ |
M |
x-1,x-y-1,-z |
6_445 |
59 |
18 |
15099 |
501.6 |
-1.2 |
0.468 |
1 |
0 |
0 |
0.000 |
Average: |
526.4 |
1.0 |
0.635 |
2 |
1 |
0 |
0.000 |
4 |
11 |
|
I |
59 |
18 |
15169 |
◊ |
A |
x,y,z |
1_555 |
47 |
15 |
14948 |
455.6 |
-0.8 |
0.506 |
5 |
0 |
0 |
0.000 |
12 |
|
M |
50 |
15 |
15099 |
◊ |
E |
x,y,z |
1_555 |
50 |
15 |
15237 |
405.4 |
-1.8 |
0.415 |
2 |
0 |
0 |
0.000 |
Average: |
430.5 |
-1.3 |
0.460 |
4 |
0 |
0 |
0.000 |
5 |
13 |
|
E |
43 |
15 |
15237 |
◊ |
M |
x-1,y,z |
1_455 |
40 |
14 |
15099 |
421.0 |
-0.2 |
0.570 |
5 |
6 |
0 |
0.000 |
14 |
|
I |
37 |
13 |
15169 |
◊ |
A |
x,y-1,z |
1_545 |
41 |
14 |
14948 |
410.9 |
0.9 |
0.678 |
4 |
5 |
0 |
0.000 |
Average: |
415.9 |
0.4 |
0.624 |
5 |
6 |
0 |
0.000 |
6 |
15 |
|
E |
40 |
11 |
15237 |
◊ |
A |
x,y,z |
1_555 |
41 |
11 |
14948 |
311.7 |
0.0 |
0.578 |
6 |
1 |
0 |
0.000 |
7 |
16 |
|
J |
41 |
11 |
6844 |
◊ |
N |
x-1,y-1,z |
1_445 |
37 |
12 |
6696 |
309.4 |
3.1 |
0.860 |
6 |
5 |
0 |
0.000 |
8 |
17 |
|
B |
36 |
11 |
6689 |
◊ |
E |
x,y,z |
1_555 |
34 |
10 |
15237 |
295.8 |
0.8 |
0.545 |
3 |
0 |
0 |
0.000 |
18 |
|
F |
34 |
11 |
6724 |
◊ |
A |
x,y,z |
1_555 |
32 |
10 |
14948 |
280.4 |
0.8 |
0.600 |
2 |
0 |
0 |
0.000 |
Average: |
288.1 |
0.8 |
0.573 |
3 |
0 |
0 |
0.000 |
9 |
19 |
|
M |
37 |
13 |
15099 |
◊ |
M |
x,x-y-1,-z |
6_545 |
37 |
13 |
15099 |
276.3 |
3.0 |
0.832 |
0 |
0 |
0 |
0.000 |
20 |
|
I |
32 |
13 |
15169 |
◊ |
I |
-x+y,y,-z+1/3 |
5_555 |
31 |
13 |
15169 |
251.5 |
1.1 |
0.706 |
2 |
0 |
0 |
0.000 |
Average: |
263.9 |
2.1 |
0.769 |
1 |
0 |
0 |
0.000 |
10 |
21 |
|
I |
28 |
9 |
15169 |
◊ |
E |
x,y,z |
1_555 |
27 |
10 |
15237 |
227.0 |
-0.9 |
0.354 |
5 |
0 |
0 |
0.000 |
11 |
22 |
|
J |
20 |
6 |
6844 |
◊ |
A |
x,y-1,z |
1_545 |
22 |
6 |
14948 |
213.7 |
0.5 |
0.663 |
4 |
4 |
0 |
0.000 |
23 |
|
E |
22 |
6 |
15237 |
◊ |
N |
x-1,y,z |
1_455 |
17 |
5 |
6696 |
209.8 |
0.5 |
0.650 |
2 |
4 |
0 |
0.000 |
24 |
|
F |
17 |
4 |
6724 |
◊ |
M |
x-1,y,z |
1_455 |
20 |
5 |
15099 |
189.4 |
-0.1 |
0.558 |
2 |
4 |
0 |
0.000 |
25 |
|
I |
16 |
5 |
15169 |
◊ |
B |
x,y-1,z |
1_545 |
15 |
4 |
6689 |
155.3 |
0.5 |
0.656 |
2 |
4 |
0 |
0.000 |
Average: |
192.0 |
0.3 |
0.631 |
3 |
4 |
0 |
0.000 |
12 |
26 |
|
O |
18 |
5 |
1572 |
◊ |
E |
x,y,z |
1_555 |
19 |
6 |
15237 |
161.5 |
-0.6 |
0.512 |
0 |
0 |
0 |
0.000 |
27 |
|
C |
17 |
5 |
1577 |
◊ |
I |
x,y,z |
1_555 |
22 |
7 |
15169 |
147.1 |
-1.0 |
0.536 |
0 |
0 |
0 |
0.000 |
Average: |
154.3 |
-0.8 |
0.524 |
0 |
0 |
0 |
0.000 |
13 |
28 |
|
G |
15 |
5 |
1520 |
◊ |
M |
x,y,z |
1_555 |
24 |
9 |
15099 |
155.9 |
-1.6 |
0.488 |
0 |
0 |
0 |
0.000 |
29 |
|
K |
15 |
5 |
1525 |
◊ |
A |
x,y,z |
1_555 |
21 |
9 |
14948 |
153.0 |
-2.2 |
0.346 |
0 |
0 |
0 |
0.000 |
Average: |
154.4 |
-1.9 |
0.417 |
0 |
0 |
0 |
0.000 |
14 |
30 |
|
M |
17 |
5 |
15099 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
14948 |
145.3 |
-0.5 |
0.511 |
0 |
0 |
0 |
0.000 |
15 |
31 |
|
E |
13 |
6 |
15237 |
◊ |
N |
x-1,y-1,z |
1_445 |
13 |
6 |
6696 |
112.7 |
0.8 |
0.662 |
0 |
1 |
0 |
0.000 |
32 |
|
J |
12 |
7 |
6844 |
◊ |
A |
x-1,y-1,z |
1_445 |
13 |
5 |
14948 |
95.8 |
0.4 |
0.598 |
0 |
0 |
0 |
0.000 |
Average: |
104.3 |
0.6 |
0.630 |
0 |
1 |
0 |
0.000 |
16 |
33 |
|
[EDO]F:101 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
18 |
8 |
6724 |
109.0 |
3.5 |
0.583 |
1 |
0 |
0 |
0.000 |
17 |
34 |
|
[EDO]M:301 |
4 |
1 |
184 |
f |
M |
x,y,z |
1_555 |
14 |
8 |
15099 |
106.7 |
3.8 |
0.493 |
2 |
0 |
0 |
0.000 |
18 |
35 |
|
[EDO]B:101 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
6689 |
105.4 |
3.2 |
0.405 |
1 |
0 |
0 |
0.000 |
19 |
36 |
|
O |
12 |
4 |
1572 |
◊ |
G |
x,y,z |
1_555 |
14 |
4 |
1520 |
102.5 |
-0.2 |
0.704 |
1 |
0 |
0 |
0.000 |
37 |
|
K |
15 |
4 |
1525 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
1577 |
98.2 |
-0.2 |
0.686 |
1 |
0 |
0 |
0.000 |
Average: |
100.3 |
-0.2 |
0.695 |
1 |
0 |
0 |
0.000 |
20 |
38 |
|
[EDO]I:302 |
4 |
1 |
184 |
◊ |
I |
x,y,z |
1_555 |
18 |
8 |
15169 |
96.5 |
3.1 |
0.389 |
1 |
0 |
0 |
0.000 |
21 |
39 |
|
[EDO]J:101 |
4 |
1 |
184 |
f |
J |
x,y,z |
1_555 |
20 |
10 |
6844 |
89.0 |
2.4 |
0.496 |
4 |
0 |
0 |
0.000 |
22 |
40 |
|
[EDO]N:101 |
4 |
1 |
184 |
f |
N |
x,y,z |
1_555 |
18 |
9 |
6696 |
87.6 |
2.2 |
0.273 |
3 |
0 |
0 |
0.000 |
23 |
41 |
|
[EDO]F:102 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
16 |
8 |
6724 |
84.2 |
2.1 |
0.261 |
3 |
0 |
0 |
0.000 |
24 |
42 |
|
[EDO]B:102 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
6689 |
83.8 |
2.0 |
0.264 |
3 |
0 |
0 |
0.000 |
25 |
43 |
|
[EDO]O:102 |
4 |
1 |
184 |
f |
O |
x,y,z |
1_555 |
16 |
4 |
1572 |
82.8 |
1.7 |
0.520 |
1 |
0 |
0 |
0.000 |
26 |
44 |
|
[EDO]C:101 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
1577 |
81.5 |
1.4 |
0.284 |
1 |
0 |
0 |
0.000 |
45 |
|
[EDO]G:101 |
4 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
12 |
4 |
1520 |
77.8 |
0.9 |
0.793 |
2 |
0 |
0 |
0.000 |
Average: |
79.6 |
1.2 |
0.539 |
2 |
0 |
0 |
0.000 |
27 |
46 |
|
[EDO]K:101 |
4 |
1 |
183 |
◊ |
K |
x,y,z |
1_555 |
12 |
4 |
1525 |
78.9 |
1.3 |
0.282 |
2 |
0 |
0 |
0.000 |
28 |
47 |
|
[EDO]I:301 |
4 |
1 |
183 |
◊ |
J |
x,y,z |
1_555 |
11 |
5 |
6844 |
77.6 |
1.5 |
0.200 |
0 |
0 |
0 |
0.000 |
29 |
48 |
|
M |
11 |
4 |
15099 |
◊ |
I |
x,y,z |
1_555 |
8 |
3 |
15169 |
75.5 |
0.6 |
0.705 |
2 |
0 |
0 |
0.000 |
30 |
49 |
|
B |
8 |
4 |
6689 |
◊ |
M |
x-1,y,z |
1_455 |
8 |
4 |
15099 |
72.5 |
0.8 |
0.702 |
1 |
0 |
0 |
0.000 |
50 |
|
I |
9 |
4 |
15169 |
◊ |
F |
x,y-1,z |
1_545 |
9 |
4 |
6724 |
65.2 |
0.5 |
0.600 |
0 |
0 |
0 |
0.000 |
Average: |
68.8 |
0.6 |
0.651 |
1 |
0 |
0 |
0.000 |
31 |
51 |
|
[EDO]G:101 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
13 |
5 |
15237 |
71.0 |
1.8 |
0.196 |
0 |
0 |
0 |
0.000 |
32 |
52 |
|
[EDO]E:301 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
15237 |
70.4 |
1.9 |
0.348 |
0 |
0 |
0 |
0.000 |
33 |
53 |
|
[EDO]I:303 |
3 |
1 |
184 |
◊ |
I |
x,y,z |
1_555 |
7 |
4 |
15169 |
69.4 |
1.8 |
0.406 |
0 |
0 |
0 |
0.000 |
34 |
54 |
|
[EDO]K:101 |
4 |
1 |
183 |
◊ |
I |
x,y,z |
1_555 |
13 |
4 |
15169 |
67.2 |
1.5 |
0.192 |
0 |
0 |
0 |
0.000 |
35 |
55 |
|
[EDO]N:101 |
4 |
1 |
184 |
◊ |
M |
x,y,z |
1_555 |
10 |
4 |
15099 |
67.1 |
2.0 |
0.253 |
1 |
0 |
0 |
0.000 |
36 |
56 |
|
[EDO]C:101 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
14948 |
67.0 |
1.5 |
0.193 |
0 |
0 |
0 |
0.000 |
37 |
57 |
|
[EDO]F:102 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
15237 |
66.6 |
2.2 |
0.259 |
0 |
0 |
0 |
0.000 |
38 |
58 |
|
[EDO]A:301 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
14948 |
65.7 |
1.3 |
0.222 |
1 |
0 |
0 |
0.000 |
39 |
59 |
|
[EDO]O:102 |
4 |
1 |
184 |
◊ |
M |
x,y,z |
1_555 |
13 |
5 |
15099 |
65.0 |
1.4 |
0.197 |
0 |
0 |
0 |
0.000 |
40 |
60 |
|
E |
6 |
2 |
15237 |
◊ |
B |
x-1,y-1,z |
1_445 |
12 |
5 |
6689 |
64.9 |
-0.4 |
0.248 |
0 |
0 |
0 |
0.000 |
61 |
|
F |
7 |
4 |
6724 |
◊ |
A |
x-1,y-1,z |
1_445 |
6 |
2 |
14948 |
45.2 |
0.4 |
0.656 |
0 |
1 |
0 |
0.000 |
Average: |
55.1 |
0.0 |
0.452 |
0 |
1 |
0 |
0.000 |
41 |
62 |
|
[EDO]B:102 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
14948 |
64.6 |
2.4 |
0.462 |
0 |
0 |
0 |
0.000 |
42 |
63 |
|
[EDO]I:301 |
4 |
1 |
183 |
f |
I |
x,y,z |
1_555 |
9 |
6 |
15169 |
64.2 |
0.9 |
0.534 |
0 |
0 |
0 |
0.000 |
43 |
64 |
|
[EDO]O:101 |
4 |
1 |
185 |
◊ |
M |
x,y,z |
1_555 |
6 |
4 |
15099 |
63.6 |
1.6 |
0.231 |
0 |
0 |
0 |
0.000 |
44 |
65 |
|
F |
7 |
2 |
6724 |
◊ |
I |
x,y,z |
1_555 |
8 |
3 |
15169 |
61.1 |
1.6 |
0.839 |
1 |
1 |
0 |
0.000 |
45 |
66 |
|
[EDO]J:101 |
4 |
1 |
184 |
◊ |
I |
x,y,z |
1_555 |
8 |
4 |
15169 |
59.0 |
2.0 |
0.265 |
0 |
0 |
0 |
0.000 |
46 |
67 |
|
[EDO]I:303 |
3 |
1 |
184 |
◊ |
K |
x,y,z |
1_555 |
10 |
3 |
1525 |
54.6 |
1.1 |
0.314 |
1 |
0 |
0 |
0.000 |
47 |
68 |
|
[EDO]O:101 |
3 |
1 |
185 |
f |
O |
x,y,z |
1_555 |
10 |
3 |
1572 |
52.3 |
1.2 |
0.299 |
1 |
0 |
0 |
0.000 |
48 |
69 |
|
[EDO]E:301 |
4 |
1 |
183 |
◊ |
G |
x,y,z |
1_555 |
11 |
3 |
1520 |
50.6 |
1.3 |
0.904 |
1 |
0 |
0 |
0.000 |
49 |
70 |
|
[EDO]A:301 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
1577 |
47.6 |
1.2 |
0.299 |
0 |
0 |
0 |
0.000 |
50 |
71 |
|
[EDO]O:101 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
10 |
2 |
1520 |
43.6 |
1.3 |
0.923 |
0 |
0 |
0 |
0.000 |
51 |
72 |
|
[EDO]A:301 |
4 |
1 |
184 |
◊ |
K |
x,y,z |
1_555 |
9 |
3 |
1525 |
43.3 |
1.2 |
0.910 |
0 |
0 |
0 |
0.000 |
52 |
73 |
|
[EDO]E:301 |
3 |
1 |
183 |
f |
O |
x,y,z |
1_555 |
7 |
3 |
1572 |
37.7 |
0.7 |
0.909 |
2 |
0 |
0 |
0.006 |
53 |
74 |
|
[EDO]I:303 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
1577 |
34.6 |
1.0 |
0.915 |
1 |
0 |
0 |
0.000 |
54 |
75 |
|
[EDO]I:302 |
2 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
3 |
2 |
15237 |
25.8 |
0.3 |
0.490 |
0 |
0 |
0 |
0.000 |
55 |
76 |
|
M |
3 |
1 |
15099 |
◊ |
M |
x,x-y,-z |
6_555 |
3 |
1 |
15099 |
22.3 |
-0.7 |
0.249 |
0 |
0 |
0 |
0.000 |
56 |
77 |
|
F |
2 |
2 |
6724 |
◊ |
B |
x-1,y-1,z |
1_445 |
3 |
2 |
6689 |
20.9 |
0.0 |
0.591 |
0 |
0 |
0 |
0.000 |
57 |
78 |
|
B |
2 |
1 |
6689 |
◊ |
M |
x,y,z |
1_555 |
7 |
4 |
15099 |
18.2 |
0.3 |
0.704 |
0 |
0 |
0 |
0.000 |
58 |
79 |
|
F |
2 |
1 |
6724 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6689 |
7.4 |
-0.2 |
0.345 |
0 |
0 |
0 |
0.000 |
59 |
80 |
|
I |
2 |
1 |
15169 |
◊ |
I |
-x+y-1,y,-z+1/3 |
5_455 |
2 |
1 |
15169 |
6.8 |
-0.2 |
0.397 |
0 |
0 |
0 |
0.000 |
60 |
81 |
|
[EDO]I:303 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
14948 |
6.5 |
0.1 |
0.503 |
0 |
0 |
0 |
0.000 |
61 |
82 |
|
[EDO]A:301 |
1 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
1 |
1 |
15169 |
2.1 |
0.1 |
0.855 |
0 |
0 |
0 |
0.000 |
62 |
83 |
|
[EDO]K:101 |
1 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
14948 |
0.5 |
0.0 |
0.748 |
0 |
0 |
0 |
0.000 |
63 |
84 |
|
I |
1 |
1 |
15169 |
◊ |
B |
-x+y-1,y-1,-z+1/3 |
5_445 |
1 |
1 |
6689 |
0.3 |
-0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
|