## |
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 |
422 |
99 |
17267 |
◊ |
C |
x,y,z |
1_555 |
416 |
99 |
17500 |
4183.6 |
-43.1 |
0.149 |
73 |
24 |
0 |
1.000 |
2 |
|
F |
428 |
103 |
17204 |
◊ |
E |
x,y,z |
1_555 |
426 |
102 |
17575 |
4158.8 |
-41.7 |
0.219 |
73 |
28 |
0 |
1.000 |
3 |
|
H |
426 |
101 |
17297 |
◊ |
G |
x,y,z |
1_555 |
418 |
99 |
17182 |
4154.6 |
-42.5 |
0.202 |
74 |
27 |
0 |
1.000 |
4 |
|
B |
423 |
99 |
16926 |
◊ |
A |
x,y,z |
1_555 |
419 |
102 |
17752 |
4133.3 |
-42.5 |
0.138 |
67 |
26 |
0 |
1.000 |
Average: |
4157.6 |
-42.4 |
0.177 |
72 |
26 |
0 |
1.000 |
2 |
5 |
|
E |
92 |
24 |
17575 |
◊ |
C |
x,y,z |
1_555 |
89 |
24 |
17500 |
909.6 |
2.1 |
0.925 |
22 |
10 |
0 |
0.000 |
6 |
|
H |
88 |
23 |
17297 |
◊ |
A |
x,y,z |
1_555 |
87 |
22 |
17752 |
898.1 |
1.9 |
0.904 |
23 |
11 |
0 |
0.000 |
Average: |
903.8 |
2.0 |
0.914 |
23 |
11 |
0 |
0.000 |
3 |
7 |
|
G |
76 |
22 |
17182 |
◊ |
F |
x,y,z |
1_555 |
76 |
27 |
17204 |
730.6 |
1.4 |
0.830 |
7 |
3 |
0 |
0.000 |
8 |
|
D |
74 |
23 |
17267 |
◊ |
B |
x,y,z |
1_555 |
72 |
27 |
16926 |
693.8 |
-2.1 |
0.661 |
6 |
0 |
0 |
0.000 |
Average: |
712.2 |
-0.4 |
0.745 |
7 |
2 |
0 |
0.000 |
4 |
9 |
|
D |
59 |
19 |
17267 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
51 |
17 |
17752 |
498.1 |
-0.1 |
0.716 |
8 |
5 |
0 |
0.000 |
5 |
10 |
|
E |
25 |
6 |
17575 |
◊ |
D |
-x-3/2,-y,z-1/2 |
2_354 |
40 |
10 |
17267 |
275.3 |
-3.4 |
0.275 |
2 |
0 |
0 |
0.000 |
6 |
11 |
|
F |
22 |
7 |
17204 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
24 |
5 |
17500 |
209.0 |
-1.8 |
0.458 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
F |
20 |
5 |
17204 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
21 |
5 |
17752 |
198.7 |
1.3 |
0.820 |
1 |
3 |
0 |
0.000 |
8 |
13 |
|
F |
18 |
7 |
17204 |
◊ |
D |
-x-3/2,-y,z-1/2 |
2_354 |
18 |
7 |
17267 |
191.6 |
-0.4 |
0.541 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
H |
23 |
6 |
17297 |
◊ |
B |
x,y,z |
1_555 |
23 |
7 |
16926 |
190.1 |
1.2 |
0.828 |
3 |
3 |
0 |
0.000 |
15 |
|
E |
21 |
5 |
17575 |
◊ |
D |
x,y,z |
1_555 |
19 |
7 |
17267 |
183.1 |
1.0 |
0.796 |
4 |
3 |
0 |
0.000 |
16 |
|
F |
19 |
7 |
17204 |
◊ |
C |
x,y,z |
1_555 |
21 |
5 |
17500 |
179.0 |
0.9 |
0.793 |
4 |
3 |
0 |
0.000 |
17 |
|
G |
20 |
7 |
17182 |
◊ |
A |
x,y,z |
1_555 |
21 |
5 |
17752 |
177.7 |
0.8 |
0.760 |
4 |
3 |
0 |
0.000 |
Average: |
182.5 |
1.0 |
0.794 |
4 |
3 |
0 |
0.000 |
10 |
18 |
|
G |
18 |
7 |
17182 |
◊ |
E |
x,y,z |
1_555 |
19 |
5 |
17575 |
163.8 |
-1.5 |
0.450 |
2 |
0 |
0 |
0.000 |
19 |
|
D |
18 |
6 |
17267 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
17752 |
155.3 |
-1.7 |
0.367 |
3 |
0 |
0 |
0.000 |
Average: |
159.6 |
-1.6 |
0.409 |
3 |
0 |
0 |
0.000 |
11 |
20 |
|
F |
17 |
7 |
17204 |
◊ |
D |
x,y,z |
1_555 |
17 |
7 |
17267 |
160.3 |
2.3 |
0.896 |
4 |
0 |
0 |
0.000 |
21 |
|
G |
14 |
6 |
17182 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
16926 |
146.9 |
2.2 |
0.900 |
3 |
0 |
0 |
0.000 |
Average: |
153.6 |
2.3 |
0.898 |
4 |
0 |
0 |
0.000 |
12 |
22 |
|
[SIN]H:415 |
8 |
1 |
247 |
◊ |
H |
x,y,z |
1_555 |
24 |
12 |
17297 |
149.7 |
3.8 |
0.462 |
4 |
0 |
0 |
0.000 |
23 |
|
[SIN]E:416 |
8 |
1 |
246 |
◊ |
E |
x,y,z |
1_555 |
24 |
12 |
17575 |
148.1 |
4.5 |
0.489 |
4 |
0 |
0 |
0.000 |
24 |
|
[SIN]A:401 |
8 |
1 |
252 |
◊ |
A |
x,y,z |
1_555 |
25 |
12 |
17752 |
146.1 |
3.5 |
0.464 |
4 |
0 |
0 |
0.000 |
25 |
|
[SIN]B:405 |
8 |
1 |
247 |
◊ |
B |
x,y,z |
1_555 |
25 |
13 |
16926 |
144.8 |
4.2 |
0.528 |
4 |
0 |
0 |
0.000 |
26 |
|
[SIN]G:413 |
8 |
1 |
248 |
◊ |
G |
x,y,z |
1_555 |
22 |
12 |
17182 |
142.5 |
3.4 |
0.452 |
4 |
0 |
0 |
0.000 |
27 |
|
[SIN]D:409 |
8 |
1 |
248 |
◊ |
D |
x,y,z |
1_555 |
22 |
12 |
17267 |
142.0 |
3.4 |
0.447 |
4 |
0 |
0 |
0.000 |
Average: |
145.5 |
3.8 |
0.474 |
4 |
0 |
0 |
0.000 |
13 |
28 |
|
[SIN]A:404 |
8 |
1 |
252 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
17752 |
148.1 |
2.5 |
0.436 |
4 |
0 |
0 |
0.000 |
14 |
29 |
|
[SIN]C:407 |
8 |
1 |
247 |
◊ |
C |
x,y,z |
1_555 |
22 |
11 |
17500 |
147.7 |
4.2 |
0.479 |
4 |
0 |
0 |
0.000 |
15 |
30 |
|
[SIN]F:411 |
8 |
1 |
249 |
◊ |
F |
x,y,z |
1_555 |
24 |
12 |
17204 |
144.3 |
3.8 |
0.584 |
4 |
0 |
0 |
0.000 |
16 |
31 |
|
[SIN]C:408 |
8 |
1 |
249 |
◊ |
C |
x,y,z |
1_555 |
20 |
7 |
17500 |
139.7 |
1.8 |
0.388 |
3 |
0 |
0 |
0.000 |
17 |
32 |
|
G |
14 |
4 |
17182 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
15 |
5 |
17752 |
137.3 |
1.5 |
0.830 |
3 |
3 |
0 |
0.000 |
18 |
33 |
|
E |
17 |
7 |
17575 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
22 |
6 |
17500 |
136.2 |
-1.4 |
0.524 |
0 |
0 |
0 |
0.000 |
19 |
34 |
|
[SIN]B:406 |
8 |
1 |
245 |
◊ |
B |
x,y,z |
1_555 |
22 |
9 |
16926 |
135.0 |
2.4 |
0.472 |
4 |
0 |
0 |
0.000 |
20 |
35 |
|
[SIN]A:402 |
8 |
1 |
247 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
17752 |
133.9 |
2.1 |
0.400 |
3 |
0 |
0 |
0.000 |
21 |
36 |
|
[SIN]G:414 |
8 |
1 |
245 |
◊ |
G |
x,y,z |
1_555 |
22 |
10 |
17182 |
133.2 |
2.3 |
0.466 |
3 |
0 |
0 |
0.000 |
37 |
|
[SIN]F:412 |
8 |
1 |
245 |
◊ |
F |
x,y,z |
1_555 |
22 |
9 |
17204 |
132.4 |
2.7 |
0.530 |
3 |
0 |
0 |
0.000 |
Average: |
132.8 |
2.5 |
0.498 |
3 |
0 |
0 |
0.000 |
22 |
38 |
|
[SIN]D:410 |
8 |
1 |
247 |
◊ |
D |
x,y,z |
1_555 |
21 |
9 |
17267 |
132.0 |
2.8 |
0.517 |
2 |
0 |
0 |
0.000 |
23 |
39 |
|
[SIN]A:403 |
8 |
1 |
247 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
17752 |
125.3 |
2.1 |
0.355 |
1 |
0 |
0 |
0.000 |
24 |
40 |
|
H |
12 |
4 |
17297 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
13 |
5 |
17500 |
100.1 |
-0.2 |
0.662 |
2 |
0 |
0 |
0.000 |
25 |
41 |
|
[SIN]D:410 |
6 |
1 |
247 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
17500 |
61.1 |
1.3 |
0.332 |
2 |
0 |
0 |
0.000 |
26 |
42 |
|
[SIN]A:402 |
6 |
1 |
247 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
16926 |
59.9 |
1.9 |
0.329 |
2 |
0 |
0 |
0.000 |
27 |
43 |
|
[SIN]F:412 |
7 |
1 |
245 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
17575 |
59.5 |
1.4 |
0.267 |
2 |
0 |
0 |
0.000 |
28 |
44 |
|
[SIN]G:414 |
6 |
1 |
245 |
f |
H |
x,y,z |
1_555 |
8 |
3 |
17297 |
57.6 |
1.0 |
0.204 |
2 |
0 |
0 |
0.000 |
29 |
45 |
|
H |
4 |
2 |
17297 |
◊ |
E |
-x-3/2,-y,z-1/2 |
2_354 |
8 |
3 |
17575 |
55.9 |
-0.5 |
0.338 |
1 |
2 |
0 |
0.000 |
30 |
46 |
|
[SIN]B:406 |
6 |
1 |
245 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
17752 |
54.2 |
1.2 |
0.234 |
2 |
0 |
0 |
0.000 |
31 |
47 |
|
[SIN]H:415 |
4 |
1 |
247 |
f |
G |
x,y,z |
1_555 |
6 |
2 |
17182 |
47.8 |
1.4 |
0.375 |
2 |
0 |
0 |
0.000 |
48 |
|
[SIN]E:416 |
4 |
1 |
246 |
f |
F |
x,y,z |
1_555 |
5 |
2 |
17204 |
45.6 |
1.1 |
0.403 |
2 |
0 |
0 |
0.000 |
49 |
|
[SIN]A:401 |
4 |
1 |
252 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
16926 |
43.7 |
1.1 |
0.428 |
2 |
0 |
0 |
0.000 |
50 |
|
[SIN]B:405 |
4 |
1 |
247 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
17752 |
43.5 |
1.1 |
0.410 |
2 |
0 |
0 |
0.000 |
51 |
|
[SIN]G:413 |
4 |
1 |
248 |
f |
H |
x,y,z |
1_555 |
4 |
2 |
17297 |
43.4 |
1.2 |
0.379 |
2 |
0 |
0 |
0.000 |
52 |
|
[SIN]D:409 |
4 |
1 |
248 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
17500 |
42.8 |
1.1 |
0.374 |
2 |
0 |
0 |
0.000 |
Average: |
44.5 |
1.2 |
0.395 |
2 |
0 |
0 |
0.000 |
32 |
53 |
|
[SIN]C:407 |
4 |
1 |
247 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
17267 |
46.6 |
1.3 |
0.430 |
2 |
0 |
0 |
0.000 |
33 |
54 |
|
C |
6 |
2 |
17500 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
16926 |
45.8 |
0.2 |
0.659 |
1 |
0 |
0 |
0.000 |
55 |
|
H |
5 |
2 |
17297 |
◊ |
F |
x,y,z |
1_555 |
8 |
2 |
17204 |
44.4 |
0.4 |
0.745 |
1 |
0 |
0 |
0.000 |
Average: |
45.1 |
0.3 |
0.702 |
1 |
0 |
0 |
0.000 |
34 |
56 |
|
[SIN]F:411 |
4 |
1 |
249 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
17575 |
43.0 |
0.0 |
0.243 |
2 |
0 |
0 |
0.012 |
35 |
57 |
|
E |
3 |
2 |
17575 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
4 |
2 |
17267 |
37.2 |
-0.9 |
0.262 |
0 |
0 |
0 |
0.000 |
36 |
58 |
|
B |
7 |
2 |
16926 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
2 |
17752 |
36.3 |
0.2 |
0.750 |
0 |
0 |
0 |
0.000 |
37 |
59 |
|
[SIN]A:403 |
4 |
1 |
247 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
16926 |
35.3 |
0.4 |
0.206 |
0 |
0 |
0 |
0.000 |
38 |
60 |
|
G |
4 |
1 |
17182 |
◊ |
D |
-x-3/2,-y,z-1/2 |
2_354 |
2 |
1 |
17267 |
33.4 |
0.6 |
0.767 |
1 |
2 |
0 |
0.000 |
39 |
61 |
|
F |
4 |
3 |
17204 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
16926 |
27.5 |
0.4 |
0.745 |
0 |
0 |
0 |
0.000 |
40 |
62 |
|
D |
2 |
1 |
17267 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
3 |
2 |
16926 |
23.9 |
-0.7 |
0.252 |
0 |
0 |
0 |
0.000 |
41 |
63 |
|
H |
2 |
2 |
17297 |
◊ |
D |
-x-3/2,-y,z-1/2 |
2_354 |
1 |
1 |
17267 |
12.5 |
0.4 |
0.693 |
0 |
0 |
0 |
0.000 |
42 |
64 |
|
G |
1 |
1 |
17182 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
16926 |
11.0 |
0.3 |
0.863 |
0 |
0 |
0 |
0.000 |
43 |
65 |
|
[SIN]C:408 |
3 |
1 |
249 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
17575 |
10.7 |
0.3 |
0.399 |
0 |
0 |
0 |
0.000 |
44 |
66 |
|
[SIN]G:414 |
3 |
1 |
245 |
f |
[SIN]G:413 |
x,y,z |
1_555 |
1 |
1 |
248 |
5.6 |
0.2 |
0.154 |
0 |
0 |
0 |
0.000 |
45 |
67 |
|
[SIN]A:402 |
2 |
1 |
247 |
f |
[SIN]A:401 |
x,y,z |
1_555 |
1 |
1 |
252 |
5.2 |
0.2 |
0.171 |
0 |
0 |
0 |
0.000 |
46 |
68 |
|
[SIN]B:406 |
2 |
1 |
245 |
f |
[SIN]B:405 |
x,y,z |
1_555 |
1 |
1 |
247 |
4.7 |
0.2 |
0.171 |
0 |
0 |
0 |
0.000 |
47 |
69 |
|
[SIN]D:410 |
1 |
1 |
247 |
f |
[SIN]D:409 |
x,y,z |
1_555 |
1 |
1 |
248 |
4.6 |
0.2 |
0.125 |
0 |
0 |
0 |
0.000 |
48 |
70 |
|
[SIN]F:412 |
2 |
1 |
245 |
f |
[SIN]F:411 |
x,y,z |
1_555 |
1 |
1 |
249 |
4.5 |
0.2 |
0.171 |
0 |
0 |
0 |
0.000 |
49 |
71 |
|
E |
1 |
1 |
17575 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
17500 |
0.6 |
-0.0 |
0.617 |
0 |
0 |
0 |
0.000 |
|