## |
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 |
|
H |
274 |
73 |
19794 |
◊ |
F |
x,y,z |
1_555 |
266 |
69 |
19485 |
2523.8 |
-22.5 |
0.243 |
59 |
14 |
0 |
0.587 |
2 |
|
D |
258 |
67 |
19351 |
◊ |
B |
x,y,z |
1_555 |
266 |
69 |
19685 |
2437.8 |
-21.8 |
0.226 |
50 |
11 |
0 |
0.587 |
3 |
|
C |
268 |
71 |
19589 |
◊ |
A |
x,y,z |
1_555 |
258 |
68 |
19401 |
2400.1 |
-22.9 |
0.207 |
54 |
14 |
0 |
0.587 |
4 |
|
G |
251 |
68 |
19548 |
◊ |
E |
x,y,z |
1_555 |
252 |
73 |
19776 |
2379.4 |
-21.0 |
0.233 |
51 |
14 |
0 |
0.587 |
Average: |
2435.3 |
-22.1 |
0.227 |
54 |
13 |
0 |
0.587 |
2 |
5 |
|
B |
110 |
29 |
19685 |
◊ |
A |
x,y,z |
1_555 |
109 |
30 |
19401 |
1060.4 |
-7.5 |
0.392 |
8 |
8 |
0 |
0.295 |
6 |
|
H |
110 |
29 |
19794 |
◊ |
G |
x,y,z |
1_555 |
110 |
29 |
19548 |
1040.9 |
-10.2 |
0.226 |
8 |
6 |
0 |
0.295 |
7 |
|
D |
107 |
29 |
19351 |
◊ |
C |
x,y,z |
1_555 |
111 |
29 |
19589 |
1031.3 |
-9.9 |
0.221 |
7 |
6 |
0 |
0.295 |
8 |
|
F |
110 |
29 |
19485 |
◊ |
E |
x,y,z |
1_555 |
107 |
30 |
19776 |
1024.1 |
-8.4 |
0.315 |
10 |
7 |
0 |
0.295 |
Average: |
1039.2 |
-9.0 |
0.288 |
8 |
7 |
0 |
0.295 |
3 |
9 |
|
H |
89 |
24 |
19794 |
◊ |
E |
x,y,z |
1_555 |
87 |
24 |
19776 |
789.5 |
-6.3 |
0.380 |
6 |
6 |
0 |
0.088 |
10 |
|
C |
87 |
24 |
19589 |
◊ |
B |
x,y,z |
1_555 |
91 |
24 |
19685 |
772.2 |
-6.0 |
0.417 |
6 |
5 |
0 |
0.088 |
11 |
|
D |
87 |
24 |
19351 |
◊ |
A |
x,y,z |
1_555 |
92 |
24 |
19401 |
764.7 |
-5.9 |
0.427 |
6 |
6 |
0 |
0.088 |
12 |
|
G |
85 |
24 |
19548 |
◊ |
F |
x,y,z |
1_555 |
90 |
24 |
19485 |
748.7 |
-5.5 |
0.457 |
7 |
6 |
0 |
0.088 |
Average: |
768.8 |
-5.9 |
0.420 |
6 |
6 |
0 |
0.088 |
4 |
13 |
|
F |
69 |
23 |
19485 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
61 |
16 |
19685 |
607.7 |
-5.4 |
0.382 |
2 |
2 |
0 |
0.000 |
5 |
14 |
|
F |
63 |
21 |
19485 |
◊ |
E |
-x-1,y-1/2,-z-2 |
2_443 |
58 |
20 |
19776 |
530.0 |
0.3 |
0.794 |
5 |
6 |
0 |
0.000 |
15 |
|
C |
56 |
17 |
19589 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
58 |
21 |
19351 |
509.8 |
0.2 |
0.781 |
4 |
2 |
0 |
0.000 |
Average: |
519.9 |
0.2 |
0.788 |
5 |
4 |
0 |
0.000 |
6 |
16 |
|
H |
23 |
7 |
19794 |
◊ |
F |
x-1,y,z |
1_455 |
21 |
7 |
19485 |
231.5 |
-0.4 |
0.656 |
3 |
0 |
0 |
0.000 |
17 |
|
G |
15 |
6 |
19548 |
◊ |
E |
x-1,y,z |
1_455 |
14 |
5 |
19776 |
123.6 |
-0.8 |
0.539 |
1 |
0 |
0 |
0.000 |
Average: |
177.6 |
-0.6 |
0.598 |
2 |
0 |
0 |
0.000 |
7 |
18 |
|
G |
28 |
13 |
19548 |
◊ |
D |
x,y,z |
1_555 |
26 |
9 |
19351 |
214.8 |
-1.2 |
0.528 |
1 |
1 |
0 |
0.000 |
8 |
19 |
|
D |
20 |
7 |
19351 |
◊ |
B |
x-1,y,z |
1_455 |
16 |
5 |
19685 |
155.9 |
0.3 |
0.691 |
2 |
0 |
0 |
0.000 |
9 |
20 |
|
[GOL]F:498 |
6 |
1 |
218 |
f |
F |
x,y,z |
1_555 |
23 |
12 |
19485 |
143.8 |
-1.9 |
0.403 |
1 |
0 |
0 |
0.045 |
10 |
21 |
|
H |
19 |
6 |
19794 |
◊ |
G |
-x-1,y-1/2,-z-2 |
2_443 |
19 |
8 |
19548 |
135.8 |
0.5 |
0.763 |
0 |
0 |
0 |
0.000 |
22 |
|
A |
18 |
6 |
19401 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
14 |
4 |
19685 |
125.2 |
0.1 |
0.695 |
1 |
2 |
0 |
0.000 |
Average: |
130.5 |
0.3 |
0.729 |
1 |
1 |
0 |
0.000 |
11 |
23 |
|
[GOL]C:497 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
21 |
7 |
19589 |
127.9 |
-0.3 |
0.595 |
3 |
0 |
0 |
0.030 |
12 |
24 |
|
H |
14 |
5 |
19794 |
◊ |
E |
-x-1,y-1/2,-z-2 |
2_443 |
16 |
4 |
19776 |
124.4 |
-1.0 |
0.477 |
2 |
2 |
0 |
0.000 |
25 |
|
C |
7 |
3 |
19589 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
9 |
4 |
19685 |
83.8 |
2.1 |
0.920 |
1 |
1 |
0 |
0.000 |
Average: |
104.1 |
0.5 |
0.699 |
2 |
2 |
0 |
0.000 |
13 |
26 |
|
[GOL]H:496 |
6 |
1 |
219 |
f |
H |
x,y,z |
1_555 |
20 |
11 |
19794 |
123.0 |
-0.0 |
0.571 |
3 |
0 |
0 |
0.046 |
27 |
|
[GOL]A:496 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
19401 |
122.2 |
-0.0 |
0.646 |
5 |
0 |
0 |
0.046 |
28 |
|
[GOL]D:498 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
16 |
10 |
19351 |
120.8 |
-0.0 |
0.642 |
5 |
0 |
0 |
0.046 |
Average: |
122.0 |
-0.0 |
0.620 |
4 |
0 |
0 |
0.046 |
14 |
29 |
|
[ACT]E:499 |
4 |
1 |
182 |
f |
E |
x,y,z |
1_555 |
15 |
7 |
19776 |
110.3 |
-1.0 |
0.575 |
3 |
0 |
0 |
0.045 |
15 |
30 |
|
F |
14 |
5 |
19485 |
◊ |
C |
x-1,y,z |
1_455 |
12 |
4 |
19589 |
110.0 |
-0.1 |
0.652 |
0 |
0 |
0 |
0.000 |
16 |
31 |
|
[GOL]F:496 |
6 |
1 |
217 |
◊ |
F |
x,y,z |
1_555 |
16 |
8 |
19485 |
108.0 |
0.4 |
0.670 |
3 |
0 |
0 |
0.020 |
32 |
|
[GOL]B:496 |
6 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
17 |
8 |
19685 |
105.6 |
0.4 |
0.696 |
3 |
0 |
0 |
0.020 |
33 |
|
[GOL]G:498 |
6 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
16 |
8 |
19548 |
103.6 |
0.5 |
0.735 |
3 |
0 |
0 |
0.020 |
Average: |
105.7 |
0.4 |
0.700 |
3 |
0 |
0 |
0.020 |
17 |
34 |
|
[GOL]E:496 |
6 |
1 |
217 |
f |
E |
x,y,z |
1_555 |
17 |
8 |
19776 |
107.6 |
0.3 |
0.656 |
3 |
0 |
0 |
0.020 |
18 |
35 |
|
[ACT]C:498 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
19589 |
105.9 |
-1.1 |
0.565 |
4 |
0 |
0 |
0.054 |
36 |
|
[ACT]F:500 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
17 |
7 |
19485 |
102.1 |
-0.8 |
0.620 |
3 |
0 |
0 |
0.054 |
Average: |
104.0 |
-1.0 |
0.592 |
4 |
0 |
0 |
0.054 |
19 |
37 |
|
[ACT]B:498 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
19685 |
105.9 |
-0.9 |
0.573 |
3 |
0 |
0 |
0.046 |
20 |
38 |
|
[ACT]D:500 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
19351 |
104.7 |
-0.8 |
0.577 |
3 |
0 |
0 |
0.040 |
21 |
39 |
|
F |
17 |
8 |
19485 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
19589 |
103.9 |
1.8 |
0.756 |
0 |
0 |
0 |
0.000 |
22 |
40 |
|
[GOL]F:497 |
5 |
1 |
222 |
◊ |
F |
x,y,z |
1_555 |
12 |
5 |
19485 |
102.3 |
0.3 |
0.644 |
2 |
0 |
0 |
0.007 |
23 |
41 |
|
[ACT]C:499 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
19589 |
100.4 |
-0.6 |
0.648 |
1 |
0 |
0 |
0.019 |
24 |
42 |
|
[GOL]D:497 |
6 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
18 |
8 |
19589 |
96.4 |
0.6 |
0.757 |
3 |
0 |
0 |
0.018 |
43 |
|
[GOL]B:497 |
6 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
19401 |
90.8 |
0.4 |
0.722 |
3 |
0 |
0 |
0.018 |
Average: |
93.6 |
0.5 |
0.740 |
3 |
0 |
0 |
0.018 |
25 |
44 |
|
[GOL]D:496 |
6 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
16 |
8 |
19351 |
93.7 |
0.5 |
0.699 |
3 |
0 |
0 |
0.020 |
45 |
|
[GOL]G:497 |
6 |
1 |
217 |
◊ |
H |
x,y,z |
1_555 |
16 |
8 |
19794 |
93.1 |
0.4 |
0.714 |
3 |
0 |
0 |
0.020 |
Average: |
93.4 |
0.4 |
0.706 |
3 |
0 |
0 |
0.020 |
26 |
46 |
|
[GOL]F:497 |
5 |
1 |
222 |
f |
H |
x,y,z |
1_555 |
11 |
4 |
19794 |
80.1 |
-0.7 |
0.434 |
1 |
0 |
0 |
0.023 |
27 |
47 |
|
[GOL]B:499 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
19685 |
79.4 |
-0.9 |
0.426 |
2 |
0 |
0 |
0.037 |
28 |
48 |
|
A |
8 |
2 |
19401 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
10 |
3 |
19351 |
76.8 |
0.7 |
0.767 |
1 |
2 |
0 |
0.000 |
29 |
49 |
|
[GOL]G:498 |
5 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
13 |
3 |
19794 |
73.5 |
-1.4 |
0.421 |
0 |
0 |
0 |
0.027 |
50 |
|
[GOL]B:496 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
19401 |
73.0 |
-1.3 |
0.421 |
0 |
0 |
0 |
0.027 |
51 |
|
[GOL]F:496 |
5 |
1 |
217 |
f |
E |
x,y,z |
1_555 |
11 |
3 |
19776 |
69.9 |
-1.1 |
0.394 |
0 |
0 |
0 |
0.027 |
Average: |
72.1 |
-1.2 |
0.412 |
0 |
0 |
0 |
0.027 |
30 |
52 |
|
[CL]G:499 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
16 |
10 |
19548 |
71.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.511 |
53 |
|
[CL]F:499 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
17 |
10 |
19485 |
70.9 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.511 |
54 |
|
[CL]A:497 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
19401 |
70.8 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.511 |
55 |
|
[CL]C:496 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
16 |
11 |
19589 |
70.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.511 |
56 |
|
[CL]D:499 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
16 |
10 |
19351 |
70.2 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.511 |
57 |
|
[CL]E:498 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
17 |
11 |
19776 |
70.0 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.511 |
58 |
|
[CL]B:500 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
19685 |
69.4 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.511 |
59 |
|
[CL]H:497 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
15 |
10 |
19794 |
68.7 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.511 |
Average: |
70.3 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.511 |
31 |
60 |
|
[GOL]E:496 |
5 |
1 |
217 |
◊ |
F |
x,y,z |
1_555 |
11 |
3 |
19485 |
71.4 |
-0.9 |
0.416 |
0 |
0 |
0 |
0.017 |
32 |
61 |
|
[GOL]D:497 |
5 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
13 |
3 |
19351 |
68.0 |
-1.2 |
0.411 |
0 |
0 |
0 |
0.042 |
62 |
|
[GOL]B:497 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
19685 |
65.7 |
-1.2 |
0.413 |
0 |
0 |
0 |
0.042 |
63 |
|
[GOL]D:496 |
5 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
19589 |
63.6 |
-1.0 |
0.409 |
0 |
0 |
0 |
0.042 |
Average: |
65.8 |
-1.1 |
0.411 |
0 |
0 |
0 |
0.042 |
33 |
64 |
|
[GOL]G:497 |
5 |
1 |
217 |
f |
G |
x,y,z |
1_555 |
12 |
3 |
19548 |
63.4 |
-1.2 |
0.407 |
0 |
0 |
0 |
0.024 |
34 |
65 |
|
[GOL]B:499 |
5 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
19589 |
58.4 |
-0.4 |
0.492 |
1 |
0 |
0 |
0.004 |
35 |
66 |
|
[GOL]E:497 |
4 |
1 |
222 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
19776 |
55.9 |
-0.8 |
0.372 |
1 |
0 |
0 |
0.023 |
36 |
67 |
|
[GOL]G:496 |
5 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
19776 |
54.3 |
-0.2 |
0.478 |
0 |
0 |
0 |
0.003 |
37 |
68 |
|
[GOL]E:497 |
5 |
1 |
222 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
19794 |
52.8 |
-0.3 |
0.469 |
0 |
0 |
0 |
0.003 |
38 |
69 |
|
[GOL]G:496 |
5 |
1 |
219 |
◊ |
H |
x,y,z |
1_555 |
6 |
4 |
19794 |
52.8 |
-0.7 |
0.387 |
1 |
0 |
0 |
0.024 |
39 |
70 |
|
[GOL]G:496 |
4 |
1 |
219 |
f |
G |
x,y,z |
1_555 |
6 |
4 |
19548 |
51.6 |
-0.8 |
0.336 |
1 |
0 |
0 |
0.026 |
40 |
71 |
|
[GOL]E:497 |
4 |
1 |
222 |
◊ |
G |
x,y,z |
1_555 |
8 |
3 |
19548 |
51.4 |
-0.1 |
0.493 |
1 |
0 |
0 |
0.002 |
41 |
72 |
|
[GOL]E:497 |
4 |
1 |
222 |
f |
F |
x,y,z |
1_555 |
6 |
4 |
19485 |
50.5 |
-0.8 |
0.336 |
1 |
0 |
0 |
0.023 |
42 |
73 |
|
[GOL]G:496 |
4 |
1 |
219 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
19485 |
49.7 |
-0.1 |
0.500 |
1 |
0 |
0 |
0.002 |
43 |
74 |
|
E |
6 |
3 |
19776 |
◊ |
B |
x-1,y,z-1 |
1_454 |
8 |
4 |
19685 |
48.8 |
-0.6 |
0.450 |
0 |
0 |
0 |
0.000 |
44 |
75 |
|
H |
10 |
4 |
19794 |
◊ |
A |
x,y,z-1 |
1_554 |
7 |
3 |
19401 |
47.9 |
0.1 |
0.667 |
0 |
0 |
0 |
0.000 |
45 |
76 |
|
[GOL]B:497 |
4 |
1 |
218 |
◊ |
[GOL]A:496 |
x,y,z |
1_555 |
4 |
1 |
219 |
35.5 |
0.3 |
0.592 |
1 |
0 |
0 |
0.004 |
46 |
77 |
|
[GOL]H:496 |
4 |
1 |
219 |
◊ |
[GOL]G:497 |
x,y,z |
1_555 |
4 |
1 |
217 |
34.7 |
0.4 |
0.687 |
2 |
0 |
0 |
0.010 |
78 |
|
[GOL]D:498 |
4 |
1 |
219 |
◊ |
[GOL]D:496 |
x,y,z |
1_555 |
3 |
1 |
218 |
33.7 |
0.4 |
0.696 |
2 |
0 |
0 |
0.010 |
Average: |
34.2 |
0.4 |
0.691 |
2 |
0 |
0 |
0.010 |
47 |
79 |
|
[ACT]F:500 |
3 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
7 |
4 |
19794 |
31.1 |
-0.6 |
0.599 |
0 |
0 |
0 |
0.006 |
80 |
|
[ACT]E:499 |
2 |
1 |
182 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
19548 |
7.3 |
-0.2 |
0.642 |
0 |
0 |
0 |
0.006 |
Average: |
19.2 |
-0.4 |
0.620 |
0 |
0 |
0 |
0.006 |
48 |
81 |
|
[GOL]B:499 |
4 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
19401 |
31.1 |
-0.3 |
0.480 |
0 |
0 |
0 |
0.006 |
49 |
82 |
|
[ACT]C:499 |
3 |
1 |
182 |
◊ |
[GOL]D:497 |
x,y,z |
1_555 |
3 |
1 |
220 |
24.9 |
0.4 |
0.718 |
1 |
0 |
0 |
0.002 |
50 |
83 |
|
[GOL]B:499 |
3 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
5 |
4 |
19351 |
21.6 |
-0.1 |
0.546 |
0 |
0 |
0 |
0.002 |
51 |
84 |
|
[ACT]D:500 |
1 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
19685 |
19.7 |
-0.2 |
0.614 |
0 |
0 |
0 |
0.002 |
52 |
85 |
|
[ACT]B:498 |
1 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
19351 |
16.3 |
-0.1 |
0.640 |
0 |
0 |
0 |
0.000 |
53 |
86 |
|
[GOL]A:496 |
3 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
19685 |
13.6 |
-0.4 |
0.393 |
0 |
0 |
0 |
0.009 |
87 |
|
[GOL]H:496 |
1 |
1 |
219 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
19548 |
13.1 |
-0.4 |
0.367 |
0 |
0 |
0 |
0.009 |
Average: |
13.4 |
-0.4 |
0.380 |
0 |
0 |
0 |
0.009 |
54 |
88 |
|
[GOL]D:498 |
2 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
19589 |
13.0 |
-0.4 |
0.449 |
0 |
0 |
0 |
0.008 |
55 |
89 |
|
[ACT]C:498 |
2 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
19401 |
12.7 |
-0.3 |
0.467 |
0 |
0 |
0 |
0.004 |
56 |
90 |
|
[ACT]C:499 |
3 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
19351 |
11.8 |
-0.4 |
0.436 |
0 |
0 |
0 |
0.007 |
57 |
91 |
|
G |
1 |
1 |
19548 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
19685 |
2.7 |
0.0 |
0.680 |
0 |
0 |
0 |
0.000 |
58 |
92 |
|
A |
1 |
1 |
19401 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
19589 |
1.0 |
-0.0 |
0.516 |
0 |
0 |
0 |
0.000 |
|