## |
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 |
173 |
47 |
8686 |
◊ |
D |
x,y,z |
1_555 |
168 |
45 |
8606 |
1568.9 |
-20.9 |
0.094 |
20 |
10 |
0 |
0.773 |
2 |
|
F |
167 |
45 |
8354 |
◊ |
B |
x,y,z |
1_555 |
168 |
46 |
8612 |
1555.0 |
-20.5 |
0.067 |
19 |
11 |
0 |
0.773 |
3 |
|
E |
172 |
45 |
8703 |
◊ |
C |
x,y,z |
1_555 |
167 |
45 |
8523 |
1549.0 |
-21.0 |
0.081 |
19 |
10 |
0 |
0.773 |
4 |
|
G |
167 |
44 |
8326 |
◊ |
A |
x,y,z |
1_555 |
164 |
45 |
8514 |
1543.3 |
-21.8 |
0.051 |
19 |
10 |
0 |
0.773 |
Average: |
1554.1 |
-21.0 |
0.073 |
19 |
10 |
0 |
0.773 |
2 |
5 |
|
H |
57 |
14 |
8686 |
◊ |
E |
x,y-1,z |
1_545 |
49 |
16 |
8703 |
537.2 |
-5.6 |
0.259 |
6 |
2 |
0 |
0.000 |
6 |
|
E |
57 |
16 |
8703 |
◊ |
H |
x-1,y+1,z |
1_465 |
50 |
15 |
8686 |
533.8 |
-5.9 |
0.288 |
4 |
3 |
0 |
0.000 |
7 |
|
G |
43 |
11 |
8326 |
◊ |
F |
x,y-1,z |
1_545 |
42 |
14 |
8354 |
395.8 |
0.1 |
0.663 |
6 |
4 |
0 |
0.000 |
8 |
|
G |
39 |
13 |
8326 |
◊ |
F |
x-1,y-1,z |
1_445 |
39 |
11 |
8354 |
343.6 |
-0.1 |
0.662 |
4 |
2 |
0 |
0.000 |
Average: |
452.6 |
-2.9 |
0.468 |
5 |
3 |
0 |
0.000 |
3 |
9 |
|
F |
42 |
12 |
8354 |
◊ |
B |
x-1,y,z |
1_455 |
43 |
15 |
8612 |
391.1 |
3.8 |
0.886 |
4 |
6 |
0 |
0.000 |
10 |
|
D |
45 |
16 |
8606 |
◊ |
H |
x-1,y,z |
1_455 |
42 |
13 |
8686 |
369.7 |
3.8 |
0.917 |
4 |
6 |
0 |
0.000 |
11 |
|
G |
36 |
12 |
8326 |
◊ |
A |
x-1,y,z |
1_455 |
46 |
16 |
8514 |
352.9 |
3.9 |
0.918 |
4 |
6 |
0 |
0.000 |
12 |
|
C |
41 |
16 |
8523 |
◊ |
E |
x-1,y,z |
1_455 |
34 |
11 |
8703 |
344.3 |
3.4 |
0.885 |
4 |
6 |
0 |
0.000 |
Average: |
364.5 |
3.7 |
0.902 |
4 |
6 |
0 |
0.000 |
4 |
13 |
|
A |
35 |
11 |
8514 |
◊ |
D |
x-1,y-1,z-1 |
1_444 |
38 |
15 |
8606 |
333.4 |
-4.8 |
0.238 |
3 |
1 |
0 |
0.000 |
14 |
|
B |
37 |
14 |
8612 |
◊ |
C |
x,y-1,z |
1_545 |
36 |
11 |
8523 |
328.5 |
-4.6 |
0.250 |
3 |
1 |
0 |
0.000 |
15 |
|
C |
33 |
13 |
8523 |
◊ |
B |
x,y,z |
1_555 |
34 |
11 |
8612 |
312.5 |
-3.9 |
0.273 |
1 |
1 |
0 |
0.000 |
16 |
|
A |
33 |
13 |
8514 |
◊ |
D |
x-1,y,z-1 |
1_454 |
34 |
11 |
8606 |
309.7 |
-3.8 |
0.278 |
2 |
1 |
0 |
0.000 |
Average: |
321.0 |
-4.3 |
0.260 |
2 |
1 |
0 |
0.000 |
5 |
17 |
|
B |
28 |
6 |
8612 |
◊ |
F |
x,y-1,z |
1_545 |
25 |
8 |
8354 |
218.9 |
-1.5 |
0.480 |
4 |
0 |
0 |
0.000 |
18 |
|
H |
23 |
8 |
8686 |
◊ |
D |
x,y-1,z |
1_545 |
26 |
6 |
8606 |
209.9 |
-0.2 |
0.643 |
6 |
1 |
0 |
0.000 |
19 |
|
C |
24 |
6 |
8523 |
◊ |
E |
x,y-1,z |
1_545 |
20 |
5 |
8703 |
200.0 |
-0.4 |
0.572 |
5 |
0 |
0 |
0.000 |
20 |
|
G |
18 |
5 |
8326 |
◊ |
A |
x,y-1,z |
1_545 |
24 |
6 |
8514 |
196.6 |
-0.6 |
0.560 |
6 |
1 |
0 |
0.000 |
Average: |
206.3 |
-0.7 |
0.564 |
5 |
1 |
0 |
0.000 |
6 |
21 |
|
B |
17 |
8 |
8612 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
8514 |
144.4 |
-1.4 |
0.449 |
0 |
1 |
0 |
0.000 |
22 |
|
D |
21 |
7 |
8606 |
◊ |
C |
x,y,z |
1_555 |
17 |
8 |
8523 |
142.7 |
-1.4 |
0.442 |
0 |
1 |
0 |
0.000 |
23 |
|
C |
22 |
7 |
8523 |
◊ |
D |
x-1,y,z |
1_455 |
16 |
8 |
8606 |
140.7 |
-1.5 |
0.420 |
0 |
1 |
0 |
0.000 |
24 |
|
A |
16 |
8 |
8514 |
◊ |
B |
x-1,y,z |
1_455 |
20 |
7 |
8612 |
139.4 |
-1.5 |
0.418 |
0 |
1 |
0 |
0.000 |
Average: |
141.8 |
-1.5 |
0.432 |
0 |
1 |
0 |
0.000 |
7 |
25 |
|
[GOL]H:203 |
6 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
20 |
11 |
8686 |
134.6 |
0.1 |
0.646 |
4 |
0 |
0 |
0.038 |
8 |
26 |
|
A |
12 |
4 |
8514 |
◊ |
H |
x-1,y,z-1 |
1_454 |
12 |
6 |
8686 |
128.6 |
0.4 |
0.675 |
0 |
1 |
0 |
0.000 |
27 |
|
B |
10 |
4 |
8612 |
◊ |
E |
x,y-1,z |
1_545 |
12 |
6 |
8703 |
127.9 |
0.3 |
0.659 |
1 |
1 |
0 |
0.000 |
28 |
|
F |
12 |
6 |
8354 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
8523 |
119.9 |
-0.2 |
0.577 |
0 |
0 |
0 |
0.000 |
29 |
|
G |
14 |
7 |
8326 |
◊ |
D |
x-1,y-1,z-1 |
1_444 |
12 |
4 |
8606 |
113.3 |
-0.3 |
0.581 |
0 |
0 |
0 |
0.000 |
Average: |
122.4 |
0.0 |
0.623 |
0 |
1 |
0 |
0.000 |
9 |
30 |
|
[GOL]E:201 |
6 |
1 |
217 |
f |
E |
x,y,z |
1_555 |
26 |
11 |
8703 |
126.5 |
-0.9 |
0.527 |
1 |
0 |
0 |
0.039 |
10 |
31 |
|
[GOL]F:202 |
6 |
1 |
213 |
f |
F |
x,y,z |
1_555 |
26 |
11 |
8354 |
124.1 |
-0.8 |
0.527 |
2 |
0 |
0 |
0.044 |
11 |
32 |
|
[GOL]C:202 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
8523 |
122.7 |
-0.5 |
0.523 |
3 |
0 |
0 |
0.046 |
12 |
33 |
|
[GOL]H:202 |
6 |
1 |
217 |
f |
H |
x,y,z |
1_555 |
27 |
11 |
8686 |
111.7 |
-0.7 |
0.557 |
2 |
0 |
0 |
0.037 |
13 |
34 |
|
[GOL]G:202 |
6 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
24 |
10 |
8326 |
110.0 |
-0.5 |
0.536 |
4 |
0 |
0 |
0.056 |
14 |
35 |
|
[GOL]G:201 |
6 |
1 |
219 |
f |
G |
x,y,z |
1_555 |
22 |
10 |
8326 |
104.3 |
-0.8 |
0.503 |
3 |
0 |
0 |
0.101 |
36 |
|
[GOL]F:201 |
6 |
1 |
219 |
f |
F |
x,y,z |
1_555 |
21 |
10 |
8354 |
104.2 |
-0.8 |
0.468 |
3 |
0 |
0 |
0.101 |
37 |
|
[GOL]H:201 |
6 |
1 |
218 |
f |
H |
x,y,z |
1_555 |
21 |
9 |
8686 |
104.0 |
-0.8 |
0.487 |
3 |
0 |
0 |
0.101 |
38 |
|
[GOL]C:203 |
6 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
22 |
10 |
8703 |
103.8 |
-0.7 |
0.489 |
3 |
0 |
0 |
0.101 |
39 |
|
[GOL]C:201 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
8523 |
103.5 |
-0.8 |
0.461 |
3 |
0 |
0 |
0.101 |
40 |
|
[GOL]A:201 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
8514 |
96.3 |
-0.8 |
0.475 |
2 |
0 |
0 |
0.101 |
41 |
|
[GOL]D:202 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
23 |
10 |
8606 |
95.7 |
-0.8 |
0.479 |
2 |
0 |
0 |
0.101 |
Average: |
101.7 |
-0.8 |
0.480 |
3 |
0 |
0 |
0.101 |
15 |
42 |
|
[GOL]B:201 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
8612 |
103.7 |
-0.8 |
0.485 |
2 |
0 |
0 |
0.100 |
16 |
43 |
|
E |
14 |
5 |
8703 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
8606 |
101.1 |
2.7 |
0.895 |
3 |
1 |
0 |
0.000 |
44 |
|
C |
9 |
5 |
8523 |
◊ |
H |
x-1,y,z |
1_455 |
15 |
5 |
8686 |
97.4 |
2.9 |
0.900 |
3 |
2 |
0 |
0.000 |
45 |
|
F |
12 |
5 |
8354 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
8514 |
85.0 |
2.8 |
0.905 |
2 |
3 |
0 |
0.000 |
46 |
|
G |
11 |
4 |
8326 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
3 |
8612 |
79.2 |
1.7 |
0.859 |
2 |
1 |
0 |
0.000 |
Average: |
90.7 |
2.5 |
0.890 |
3 |
2 |
0 |
0.000 |
17 |
47 |
|
[GOL]D:201 |
5 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
8606 |
76.1 |
1.6 |
0.850 |
4 |
0 |
0 |
0.000 |
18 |
48 |
|
[GOL]F:201 |
6 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
8612 |
71.6 |
-0.6 |
0.501 |
2 |
0 |
0 |
0.075 |
49 |
|
[GOL]C:203 |
6 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
8523 |
71.3 |
-0.6 |
0.457 |
2 |
0 |
0 |
0.075 |
50 |
|
[GOL]G:201 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
8514 |
71.0 |
-0.6 |
0.481 |
2 |
0 |
0 |
0.075 |
51 |
|
[GOL]H:201 |
5 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
8606 |
70.8 |
-0.7 |
0.463 |
2 |
0 |
0 |
0.075 |
52 |
|
[GOL]C:201 |
5 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
8703 |
65.2 |
-0.7 |
0.443 |
2 |
0 |
0 |
0.075 |
53 |
|
[GOL]A:201 |
6 |
1 |
220 |
◊ |
G |
x,y,z |
1_555 |
9 |
4 |
8326 |
62.4 |
-0.7 |
0.423 |
2 |
0 |
0 |
0.075 |
54 |
|
[GOL]D:202 |
6 |
1 |
219 |
◊ |
H |
x,y,z |
1_555 |
9 |
4 |
8686 |
61.5 |
-0.6 |
0.443 |
2 |
0 |
0 |
0.075 |
Average: |
67.7 |
-0.7 |
0.459 |
2 |
0 |
0 |
0.075 |
19 |
55 |
|
[GOL]B:201 |
5 |
1 |
218 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
8354 |
66.2 |
-0.7 |
0.425 |
2 |
0 |
0 |
0.041 |
20 |
56 |
|
[GOL]D:201 |
4 |
1 |
216 |
f |
H |
x-1,y,z |
1_455 |
9 |
4 |
8686 |
59.6 |
-0.7 |
0.487 |
1 |
0 |
0 |
0.026 |
21 |
57 |
|
F |
4 |
1 |
8354 |
◊ |
E |
x-1,y,z |
1_455 |
4 |
2 |
8703 |
57.1 |
0.1 |
0.400 |
1 |
0 |
0 |
0.000 |
58 |
|
F |
3 |
2 |
8354 |
◊ |
E |
x-1,y-1,z |
1_445 |
4 |
2 |
8703 |
32.9 |
-0.3 |
0.334 |
0 |
0 |
0 |
0.000 |
59 |
|
G |
4 |
1 |
8326 |
◊ |
H |
x-2,y-1,z-1 |
1_344 |
2 |
1 |
8686 |
31.7 |
-0.4 |
0.279 |
0 |
0 |
0 |
0.000 |
60 |
|
G |
2 |
1 |
8326 |
◊ |
H |
x-2,y,z-1 |
1_354 |
4 |
1 |
8686 |
30.0 |
-0.2 |
0.296 |
0 |
0 |
0 |
0.000 |
Average: |
37.9 |
-0.2 |
0.327 |
0 |
0 |
0 |
0.000 |
22 |
61 |
|
A |
8 |
2 |
8514 |
◊ |
H |
x-2,y,z-1 |
1_354 |
2 |
1 |
8686 |
51.4 |
0.6 |
0.760 |
1 |
0 |
0 |
0.000 |
62 |
|
B |
8 |
2 |
8612 |
◊ |
E |
x-1,y-1,z |
1_445 |
2 |
1 |
8703 |
47.7 |
0.7 |
0.772 |
1 |
0 |
0 |
0.000 |
63 |
|
G |
4 |
1 |
8326 |
◊ |
D |
x-2,y-1,z-1 |
1_344 |
8 |
2 |
8606 |
43.3 |
1.0 |
0.759 |
1 |
0 |
0 |
0.000 |
64 |
|
F |
3 |
1 |
8354 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
3 |
8523 |
15.1 |
0.3 |
0.713 |
0 |
0 |
0 |
0.000 |
Average: |
39.4 |
0.6 |
0.751 |
1 |
0 |
0 |
0.000 |
23 |
65 |
|
D |
5 |
2 |
8606 |
x |
D |
x-1,y,z |
1_455 |
6 |
3 |
8606 |
50.5 |
0.1 |
0.598 |
0 |
0 |
0 |
0.000 |
66 |
|
B |
6 |
3 |
8612 |
x |
B |
x-1,y,z |
1_455 |
5 |
2 |
8612 |
50.5 |
0.1 |
0.607 |
0 |
0 |
0 |
0.000 |
67 |
|
A |
6 |
3 |
8514 |
x |
A |
x-1,y,z |
1_455 |
5 |
2 |
8514 |
49.0 |
0.1 |
0.625 |
0 |
0 |
0 |
0.000 |
68 |
|
C |
5 |
2 |
8523 |
x |
C |
x-1,y,z |
1_455 |
6 |
3 |
8523 |
48.7 |
0.1 |
0.623 |
0 |
0 |
0 |
0.000 |
Average: |
49.7 |
0.1 |
0.613 |
0 |
0 |
0 |
0.000 |
24 |
69 |
|
[GOL]H:202 |
5 |
1 |
217 |
◊ |
D |
x,y,z |
1_555 |
9 |
5 |
8606 |
48.8 |
-0.3 |
0.555 |
0 |
0 |
0 |
0.007 |
25 |
70 |
|
[GOL]G:202 |
5 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
8514 |
45.7 |
-0.4 |
0.503 |
0 |
0 |
0 |
0.009 |
26 |
71 |
|
[GOL]E:201 |
4 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
8523 |
41.0 |
-0.2 |
0.549 |
0 |
0 |
0 |
0.005 |
27 |
72 |
|
[GOL]F:202 |
4 |
1 |
213 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
8612 |
39.0 |
-0.6 |
0.427 |
0 |
0 |
0 |
0.014 |
28 |
73 |
|
B |
9 |
4 |
8612 |
◊ |
[GOL]C:202 |
x,y-1,z |
1_545 |
3 |
1 |
220 |
32.3 |
0.2 |
0.653 |
0 |
0 |
0 |
0.000 |
29 |
74 |
|
[GOL]G:202 |
2 |
1 |
216 |
◊ |
[GOL]A:201 |
x,y,z |
1_555 |
3 |
1 |
220 |
28.0 |
0.5 |
0.692 |
2 |
0 |
0 |
0.010 |
30 |
75 |
|
[GOL]H:202 |
2 |
1 |
217 |
◊ |
[GOL]D:202 |
x,y,z |
1_555 |
4 |
1 |
219 |
27.5 |
0.5 |
0.696 |
2 |
0 |
0 |
0.010 |
31 |
76 |
|
D |
3 |
2 |
8606 |
◊ |
[GOL]H:203 |
x-1,y,z |
1_455 |
3 |
1 |
216 |
18.6 |
-0.5 |
0.384 |
0 |
0 |
0 |
0.000 |
32 |
77 |
|
D |
5 |
2 |
8606 |
◊ |
E |
x,y-1,z |
1_545 |
2 |
1 |
8703 |
17.1 |
-0.3 |
0.398 |
0 |
0 |
0 |
0.000 |
33 |
78 |
|
E |
1 |
1 |
8703 |
x |
E |
x-1,y,z |
1_455 |
1 |
1 |
8703 |
12.0 |
0.4 |
0.871 |
0 |
0 |
0 |
0.000 |
79 |
|
F |
1 |
1 |
8354 |
x |
F |
x-1,y,z |
1_455 |
1 |
1 |
8354 |
0.3 |
-0.0 |
0.630 |
0 |
0 |
0 |
0.000 |
Average: |
6.2 |
0.2 |
0.751 |
0 |
0 |
0 |
0.000 |
34 |
80 |
|
[GOL]E:201 |
1 |
1 |
217 |
◊ |
[GOL]C:201 |
x,y,z |
1_555 |
2 |
1 |
219 |
8.4 |
0.2 |
0.565 |
0 |
0 |
0 |
0.000 |
35 |
81 |
|
[GOL]F:202 |
2 |
1 |
213 |
◊ |
[GOL]B:201 |
x,y,z |
1_555 |
1 |
1 |
218 |
6.6 |
0.1 |
0.612 |
0 |
0 |
0 |
0.000 |
36 |
82 |
|
E |
1 |
1 |
8703 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
8606 |
0.2 |
0.0 |
0.654 |
0 |
0 |
0 |
0.000 |
|