## |
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 |
470 |
119 |
24125 |
◊ |
C |
x,y,z |
1_555 |
469 |
125 |
19743 |
4417.3 |
-48.1 |
0.025 |
63 |
20 |
0 |
0.535 |
2 |
|
B |
475 |
118 |
24032 |
◊ |
A |
x,y,z |
1_555 |
469 |
129 |
19885 |
4403.6 |
-48.2 |
0.026 |
60 |
20 |
0 |
0.535 |
Average: |
4410.5 |
-48.1 |
0.025 |
62 |
20 |
0 |
0.535 |
2 |
3 |
|
D |
313 |
77 |
24125 |
◊ |
B |
x,y,z |
1_555 |
315 |
77 |
24032 |
2893.4 |
-17.8 |
0.486 |
54 |
26 |
0 |
0.694 |
3 |
4 |
|
F |
187 |
50 |
11686 |
◊ |
E |
x,y,z |
1_555 |
191 |
52 |
11538 |
1865.1 |
-16.2 |
0.141 |
19 |
17 |
0 |
0.585 |
5 |
|
H |
175 |
51 |
11895 |
◊ |
G |
x,y,z |
1_555 |
171 |
50 |
11371 |
1698.3 |
-17.1 |
0.096 |
13 |
21 |
0 |
0.585 |
Average: |
1781.7 |
-16.6 |
0.118 |
16 |
19 |
0 |
0.585 |
4 |
6 |
|
B |
142 |
38 |
24032 |
◊ |
C |
x,y,z |
1_555 |
150 |
41 |
19743 |
1299.4 |
-15.3 |
0.167 |
14 |
5 |
0 |
0.321 |
7 |
|
D |
145 |
38 |
24125 |
◊ |
A |
x,y,z |
1_555 |
151 |
41 |
19885 |
1292.7 |
-17.2 |
0.105 |
17 |
4 |
0 |
0.321 |
Average: |
1296.1 |
-16.2 |
0.136 |
16 |
5 |
0 |
0.321 |
5 |
8 |
|
H |
68 |
20 |
11895 |
◊ |
D |
x,y,z |
1_555 |
65 |
23 |
24125 |
540.7 |
-0.2 |
0.701 |
5 |
4 |
0 |
0.040 |
9 |
|
F |
59 |
18 |
11686 |
◊ |
B |
x,y,z |
1_555 |
55 |
22 |
24032 |
466.0 |
-1.4 |
0.589 |
6 |
4 |
0 |
0.040 |
Average: |
503.3 |
-0.8 |
0.645 |
6 |
4 |
0 |
0.040 |
6 |
10 |
|
E |
59 |
19 |
11538 |
◊ |
A |
x,y,z |
1_555 |
55 |
19 |
19885 |
492.2 |
-0.6 |
0.656 |
5 |
6 |
0 |
0.035 |
11 |
|
G |
59 |
18 |
11371 |
◊ |
C |
x,y,z |
1_555 |
52 |
19 |
19743 |
458.5 |
-0.3 |
0.666 |
5 |
2 |
0 |
0.035 |
Average: |
475.3 |
-0.5 |
0.661 |
5 |
4 |
0 |
0.035 |
7 |
12 |
|
H |
57 |
18 |
11895 |
◊ |
C |
x,y,z |
1_555 |
48 |
12 |
19743 |
447.9 |
-6.5 |
0.153 |
5 |
3 |
0 |
0.087 |
13 |
|
F |
49 |
15 |
11686 |
◊ |
A |
x,y,z |
1_555 |
48 |
12 |
19885 |
435.7 |
-5.7 |
0.148 |
6 |
2 |
0 |
0.087 |
Average: |
441.8 |
-6.1 |
0.150 |
6 |
3 |
0 |
0.087 |
8 |
14 |
|
G |
54 |
18 |
11371 |
◊ |
D |
x,y,z |
1_555 |
44 |
13 |
24125 |
436.9 |
-8.1 |
0.070 |
4 |
3 |
0 |
0.107 |
15 |
|
E |
51 |
18 |
11538 |
◊ |
B |
x,y,z |
1_555 |
46 |
14 |
24032 |
425.2 |
-8.0 |
0.075 |
4 |
2 |
0 |
0.107 |
Average: |
431.1 |
-8.1 |
0.072 |
4 |
3 |
0 |
0.107 |
9 |
16 |
|
[CFM]C:3496 |
15 |
1 |
495 |
f |
C |
x,y,z |
1_555 |
47 |
19 |
19743 |
322.5 |
-19.2 |
0.651 |
3 |
0 |
0 |
0.272 |
17 |
|
[CFM]A:1496 |
17 |
1 |
494 |
f |
A |
x,y,z |
1_555 |
48 |
19 |
19885 |
319.7 |
-19.7 |
0.649 |
3 |
0 |
0 |
0.272 |
Average: |
321.1 |
-19.5 |
0.650 |
3 |
0 |
0 |
0.272 |
10 |
18 |
|
D |
36 |
11 |
24125 |
◊ |
F |
x,y-1,z |
1_545 |
32 |
9 |
11686 |
299.7 |
0.0 |
0.623 |
2 |
1 |
0 |
0.000 |
11 |
19 |
|
H |
26 |
7 |
11895 |
◊ |
H |
-x+1,y,-z |
2_655 |
26 |
7 |
11895 |
238.6 |
-1.4 |
0.479 |
2 |
0 |
0 |
0.000 |
12 |
20 |
|
H |
26 |
7 |
11895 |
◊ |
F |
x,y-1,z |
1_545 |
25 |
9 |
11686 |
224.8 |
0.5 |
0.604 |
2 |
1 |
0 |
0.000 |
13 |
21 |
|
F |
23 |
7 |
11686 |
◊ |
F |
-x+1,y,-z+1 |
2_656 |
24 |
8 |
11686 |
223.1 |
-3.8 |
0.170 |
0 |
0 |
0 |
0.000 |
14 |
22 |
|
[HCA]C:3494 |
13 |
1 |
355 |
f |
C |
x,y,z |
1_555 |
36 |
16 |
19743 |
211.5 |
0.9 |
0.452 |
5 |
0 |
0 |
0.017 |
23 |
|
[HCA]A:1494 |
13 |
1 |
354 |
f |
A |
x,y,z |
1_555 |
37 |
17 |
19885 |
205.2 |
1.2 |
0.488 |
5 |
0 |
0 |
0.017 |
Average: |
208.4 |
1.1 |
0.470 |
5 |
0 |
0 |
0.017 |
15 |
24 |
|
[CLF]B:1498 |
12 |
1 |
466 |
f |
A |
x,y,z |
1_555 |
29 |
11 |
19885 |
186.5 |
-19.8 |
0.085 |
1 |
0 |
0 |
0.265 |
25 |
|
[CLF]D:3498 |
12 |
1 |
465 |
f |
C |
x,y,z |
1_555 |
28 |
11 |
19743 |
185.0 |
-19.6 |
0.083 |
1 |
0 |
0 |
0.265 |
Average: |
185.7 |
-19.7 |
0.084 |
1 |
0 |
0 |
0.265 |
16 |
26 |
|
[CLF]D:3498 |
13 |
1 |
465 |
◊ |
D |
x,y,z |
1_555 |
22 |
11 |
24125 |
181.9 |
-18.1 |
0.079 |
1 |
0 |
0 |
0.126 |
27 |
|
[CLF]B:1498 |
12 |
1 |
466 |
◊ |
B |
x,y,z |
1_555 |
23 |
11 |
24032 |
181.1 |
-18.0 |
0.095 |
1 |
0 |
0 |
0.126 |
Average: |
181.5 |
-18.1 |
0.087 |
1 |
0 |
0 |
0.126 |
17 |
28 |
|
A |
21 |
10 |
19885 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
21 |
8 |
11538 |
181.1 |
-0.7 |
0.557 |
0 |
0 |
0 |
0.000 |
18 |
29 |
|
H |
18 |
7 |
11895 |
◊ |
B |
x,y-1,z |
1_545 |
20 |
8 |
24032 |
168.0 |
0.1 |
0.541 |
0 |
0 |
0 |
0.000 |
19 |
30 |
|
G |
13 |
7 |
11371 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
18 |
7 |
24125 |
110.7 |
0.8 |
0.761 |
1 |
1 |
0 |
0.000 |
20 |
31 |
|
B |
12 |
3 |
24032 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
12 |
3 |
24032 |
105.0 |
-0.8 |
0.516 |
2 |
0 |
0 |
0.000 |
21 |
32 |
|
[SF4]E:5290 |
8 |
1 |
313 |
f |
F |
x,y,z |
1_555 |
18 |
9 |
11686 |
100.8 |
-8.9 |
0.000 |
2 |
0 |
0 |
0.213 |
33 |
|
[SF4]G:7290 |
8 |
1 |
312 |
f |
H |
x,y,z |
1_555 |
16 |
9 |
11895 |
99.6 |
-8.8 |
0.000 |
2 |
0 |
0 |
0.213 |
Average: |
100.2 |
-8.8 |
0.000 |
2 |
0 |
0 |
0.213 |
22 |
34 |
|
[SF4]G:7290 |
8 |
1 |
312 |
◊ |
G |
x,y,z |
1_555 |
18 |
9 |
11371 |
99.6 |
-8.9 |
0.000 |
2 |
0 |
0 |
0.215 |
35 |
|
[SF4]E:5290 |
8 |
1 |
313 |
◊ |
E |
x,y,z |
1_555 |
17 |
10 |
11538 |
98.0 |
-8.6 |
0.000 |
2 |
0 |
0 |
0.215 |
Average: |
98.8 |
-8.7 |
0.000 |
2 |
0 |
0 |
0.215 |
23 |
36 |
|
G |
11 |
4 |
11371 |
◊ |
B |
x,y-1,z |
1_545 |
14 |
5 |
24032 |
97.9 |
-1.7 |
0.303 |
0 |
0 |
0 |
0.000 |
24 |
37 |
|
[CFM]A:1496 |
7 |
1 |
494 |
f |
[HCA]A:1494 |
x,y,z |
1_555 |
7 |
1 |
354 |
70.6 |
-3.7 |
0.430 |
0 |
0 |
0 |
0.049 |
38 |
|
[CFM]C:3496 |
7 |
1 |
495 |
f |
[HCA]C:3494 |
x,y,z |
1_555 |
7 |
1 |
355 |
70.0 |
-3.7 |
0.431 |
0 |
0 |
0 |
0.049 |
Average: |
70.3 |
-3.7 |
0.431 |
0 |
0 |
0 |
0.049 |
25 |
39 |
|
C |
10 |
6 |
19743 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
7 |
2 |
24032 |
64.6 |
1.4 |
0.693 |
0 |
0 |
0 |
0.000 |
26 |
40 |
|
[HCA]A:1494 |
7 |
1 |
354 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
24032 |
40.7 |
0.6 |
0.487 |
0 |
0 |
0 |
0.000 |
41 |
|
[HCA]C:3494 |
8 |
1 |
355 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
24125 |
38.0 |
0.6 |
0.469 |
0 |
0 |
0 |
0.000 |
Average: |
39.4 |
0.6 |
0.478 |
0 |
0 |
0 |
0.000 |
27 |
42 |
|
[SF4]E:5290 |
4 |
1 |
313 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
24032 |
40.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.030 |
43 |
|
[SF4]G:7290 |
4 |
1 |
312 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
24125 |
39.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
39.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.030 |
28 |
44 |
|
[SF4]E:5290 |
4 |
1 |
313 |
◊ |
A |
x,y,z |
1_555 |
10 |
2 |
19885 |
38.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.027 |
45 |
|
[SF4]G:7290 |
4 |
1 |
312 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
19743 |
37.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
38.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.027 |
29 |
46 |
|
D |
5 |
1 |
24125 |
◊ |
D |
-x+1,y,-z |
2_655 |
5 |
1 |
24125 |
35.7 |
-0.1 |
0.601 |
0 |
0 |
0 |
0.000 |
30 |
47 |
|
[CA]D:524 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
4 |
24032 |
27.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.151 |
48 |
|
[CA]B:524 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
5 |
4 |
24125 |
27.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.151 |
Average: |
27.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.151 |
31 |
49 |
|
[CA]D:524 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
24125 |
26.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.155 |
50 |
|
[CA]B:524 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
24032 |
26.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.155 |
Average: |
26.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.155 |
32 |
51 |
|
[CA]B:524 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
19743 |
17.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.036 |
52 |
|
[CA]D:524 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
19885 |
15.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
16.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.036 |
33 |
53 |
|
G |
2 |
2 |
11371 |
◊ |
E |
x,y-1,z-1 |
1_544 |
4 |
2 |
11538 |
15.2 |
-0.2 |
0.502 |
0 |
0 |
0 |
0.000 |
34 |
54 |
|
B |
4 |
1 |
24032 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
11538 |
13.3 |
0.0 |
0.647 |
0 |
0 |
0 |
0.000 |
35 |
55 |
|
D |
3 |
2 |
24125 |
◊ |
E |
x,y-1,z |
1_545 |
1 |
1 |
11538 |
2.0 |
-0.1 |
0.509 |
0 |
0 |
0 |
0.000 |
36 |
56 |
|
A |
1 |
1 |
19885 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
19885 |
0.1 |
0.0 |
0.684 |
0 |
0 |
0 |
0.000 |
|