## |
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 |
|
J |
676 |
145 |
32811 |
◊ |
I |
x,y,z |
1_555 |
673 |
146 |
32923 |
6371.8 |
-71.9 |
0.993 |
318 |
0 |
0 |
0.896 |
2 |
2 |
|
F |
250 |
56 |
7173 |
◊ |
E |
x,y,z |
1_555 |
259 |
61 |
8750 |
2566.4 |
-43.5 |
0.032 |
23 |
4 |
0 |
1.000 |
3 |
|
B |
229 |
51 |
6399 |
◊ |
A |
x,y,z |
1_555 |
243 |
58 |
8396 |
2431.9 |
-40.9 |
0.049 |
20 |
6 |
0 |
1.000 |
Average: |
2499.1 |
-42.2 |
0.040 |
22 |
5 |
0 |
1.000 |
3 |
4 |
|
H |
253 |
62 |
7595 |
◊ |
G |
x,y,z |
1_555 |
242 |
59 |
8416 |
2454.4 |
-44.9 |
0.032 |
20 |
6 |
0 |
0.906 |
5 |
|
D |
252 |
62 |
7929 |
◊ |
C |
x,y,z |
1_555 |
243 |
61 |
8555 |
2447.6 |
-41.7 |
0.042 |
22 |
9 |
0 |
0.906 |
Average: |
2451.0 |
-43.3 |
0.037 |
21 |
8 |
0 |
0.906 |
4 |
6 |
|
I |
105 |
21 |
32923 |
◊ |
E |
x,y,z |
1_555 |
82 |
24 |
8750 |
777.2 |
-3.1 |
0.881 |
16 |
0 |
0 |
0.113 |
5 |
7 |
|
J |
91 |
18 |
32811 |
◊ |
E |
x,y,z |
1_555 |
79 |
24 |
8750 |
684.3 |
-11.4 |
0.640 |
14 |
0 |
0 |
0.807 |
6 |
8 |
|
G |
61 |
19 |
8416 |
◊ |
A |
x,y,z |
1_555 |
65 |
21 |
8396 |
681.5 |
-8.5 |
0.247 |
6 |
0 |
0 |
1.000 |
9 |
|
C |
60 |
17 |
8555 |
◊ |
E |
x,y,z |
1_555 |
57 |
21 |
8750 |
651.5 |
-8.5 |
0.266 |
7 |
0 |
0 |
1.000 |
Average: |
666.5 |
-8.5 |
0.256 |
7 |
0 |
0 |
1.000 |
7 |
10 |
|
I |
87 |
18 |
32923 |
◊ |
A |
x,y,z |
1_555 |
68 |
21 |
8396 |
673.8 |
-11.6 |
0.562 |
14 |
0 |
0 |
0.324 |
8 |
11 |
|
J |
75 |
13 |
32811 |
◊ |
A |
x,y,z |
1_555 |
63 |
18 |
8396 |
622.5 |
-10.1 |
0.604 |
12 |
0 |
0 |
0.372 |
9 |
12 |
|
E |
52 |
14 |
8750 |
◊ |
A |
x,y,z |
1_555 |
58 |
14 |
8396 |
579.9 |
-12.4 |
0.111 |
2 |
2 |
0 |
0.266 |
10 |
13 |
|
D |
48 |
13 |
7929 |
◊ |
B |
x,y,z |
1_555 |
52 |
11 |
6399 |
497.2 |
-2.5 |
0.632 |
8 |
2 |
0 |
0.160 |
14 |
|
H |
49 |
11 |
7595 |
◊ |
F |
x,y,z |
1_555 |
47 |
11 |
7173 |
480.1 |
-2.5 |
0.632 |
6 |
2 |
0 |
0.160 |
Average: |
488.6 |
-2.5 |
0.632 |
7 |
2 |
0 |
0.160 |
11 |
15 |
|
J |
58 |
13 |
32811 |
◊ |
C |
x,y,z |
1_555 |
51 |
18 |
8555 |
482.7 |
-7.7 |
0.595 |
8 |
0 |
0 |
0.119 |
12 |
16 |
|
I |
56 |
12 |
32923 |
◊ |
D |
x,y,z |
1_555 |
46 |
15 |
7929 |
427.7 |
-7.1 |
0.572 |
19 |
0 |
0 |
0.417 |
13 |
17 |
|
I |
50 |
12 |
32923 |
◊ |
G |
x,y,z |
1_555 |
44 |
15 |
8416 |
420.7 |
-5.9 |
0.611 |
10 |
0 |
0 |
0.098 |
14 |
18 |
|
G |
39 |
14 |
8416 |
◊ |
B |
x,y,z |
1_555 |
51 |
12 |
6399 |
417.3 |
-2.4 |
0.523 |
6 |
0 |
0 |
0.072 |
19 |
|
C |
42 |
14 |
8555 |
◊ |
F |
x,y,z |
1_555 |
46 |
12 |
7173 |
392.0 |
-3.7 |
0.404 |
5 |
0 |
0 |
0.072 |
Average: |
404.6 |
-3.0 |
0.464 |
6 |
0 |
0 |
0.072 |
15 |
20 |
|
I |
51 |
12 |
32923 |
◊ |
C |
x,y,z |
1_555 |
46 |
13 |
8555 |
404.9 |
-7.1 |
0.560 |
7 |
0 |
0 |
0.098 |
16 |
21 |
|
J |
43 |
8 |
32811 |
◊ |
D |
x,y,z |
1_555 |
39 |
12 |
7929 |
361.8 |
-5.6 |
0.585 |
5 |
0 |
0 |
0.062 |
17 |
22 |
|
J |
47 |
11 |
32811 |
◊ |
H |
x,y,z |
1_555 |
35 |
13 |
7595 |
345.9 |
-7.2 |
0.514 |
9 |
0 |
0 |
0.116 |
18 |
23 |
|
J |
43 |
8 |
32811 |
◊ |
B |
x,y,z |
1_555 |
42 |
15 |
6399 |
343.7 |
-6.6 |
0.530 |
6 |
0 |
0 |
0.116 |
19 |
24 |
|
J |
47 |
10 |
32811 |
◊ |
G |
x,y,z |
1_555 |
46 |
11 |
8416 |
341.3 |
-4.5 |
0.649 |
7 |
0 |
0 |
0.183 |
20 |
25 |
|
I |
40 |
7 |
32923 |
◊ |
F |
x,y,z |
1_555 |
37 |
14 |
7173 |
324.9 |
-6.9 |
0.474 |
6 |
0 |
0 |
0.130 |
21 |
26 |
|
J |
38 |
10 |
32811 |
◊ |
F |
x,y,z |
1_555 |
29 |
10 |
7173 |
291.9 |
-2.4 |
0.688 |
3 |
0 |
0 |
0.047 |
22 |
27 |
|
I |
29 |
4 |
32923 |
◊ |
H |
x,y,z |
1_555 |
30 |
10 |
7595 |
258.4 |
-4.8 |
0.538 |
3 |
0 |
0 |
0.083 |
23 |
28 |
|
I |
37 |
11 |
32923 |
◊ |
B |
x,y,z |
1_555 |
25 |
8 |
6399 |
250.5 |
-2.0 |
0.708 |
2 |
0 |
0 |
0.040 |
24 |
29 |
|
H |
28 |
10 |
7595 |
◊ |
B |
x,y,z |
1_555 |
28 |
6 |
6399 |
230.7 |
-1.6 |
0.600 |
4 |
1 |
0 |
0.082 |
30 |
|
D |
31 |
13 |
7929 |
◊ |
F |
x,y,z |
1_555 |
24 |
7 |
7173 |
229.4 |
-1.1 |
0.606 |
3 |
1 |
0 |
0.082 |
Average: |
230.0 |
-1.3 |
0.603 |
4 |
1 |
0 |
0.082 |
25 |
31 |
|
F |
26 |
6 |
7173 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
6 |
7929 |
230.6 |
0.4 |
0.709 |
3 |
2 |
0 |
0.010 |
26 |
32 |
|
F |
16 |
5 |
7173 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
22 |
6 |
8555 |
183.4 |
-1.0 |
0.547 |
1 |
1 |
0 |
0.013 |
27 |
33 |
|
J |
26 |
5 |
32811 |
◊ |
I |
x-1/2,-y-1/2,-z+1 |
4_446 |
25 |
4 |
32923 |
161.2 |
2.7 |
0.884 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
G |
17 |
4 |
8416 |
◊ |
C |
x,y,z |
1_555 |
17 |
4 |
8555 |
131.2 |
0.2 |
0.705 |
1 |
0 |
0 |
0.003 |
29 |
35 |
|
J |
16 |
4 |
32811 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
6 |
7929 |
114.7 |
-1.9 |
0.556 |
0 |
0 |
0 |
0.013 |
30 |
36 |
|
E |
10 |
5 |
8750 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
3 |
8555 |
108.2 |
1.4 |
0.826 |
2 |
0 |
0 |
0.000 |
31 |
37 |
|
I |
10 |
3 |
32923 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
8 |
3 |
8396 |
94.2 |
-0.6 |
0.632 |
2 |
0 |
0 |
0.003 |
32 |
38 |
|
H |
7 |
3 |
7595 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
2 |
32923 |
65.2 |
-1.8 |
0.481 |
0 |
0 |
0 |
0.008 |
33 |
39 |
|
I |
10 |
3 |
32923 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
4 |
7929 |
65.1 |
-1.4 |
0.529 |
0 |
0 |
0 |
0.011 |
34 |
40 |
|
D |
7 |
2 |
7929 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
8416 |
63.8 |
-0.1 |
0.650 |
1 |
0 |
0 |
0.006 |
41 |
|
H |
6 |
2 |
7595 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
8555 |
56.6 |
-0.3 |
0.582 |
1 |
0 |
0 |
0.006 |
Average: |
60.2 |
-0.2 |
0.616 |
1 |
0 |
0 |
0.006 |
35 |
42 |
|
C |
6 |
4 |
8555 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
8396 |
60.4 |
1.6 |
0.863 |
1 |
0 |
0 |
0.000 |
43 |
|
G |
1 |
1 |
8416 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
8750 |
2.2 |
-0.0 |
0.628 |
0 |
0 |
0 |
0.000 |
Average: |
31.3 |
0.8 |
0.746 |
1 |
0 |
0 |
0.000 |
36 |
44 |
|
I |
11 |
3 |
32923 |
◊ |
J |
x-1/2,-y-1/2,-z+1 |
4_446 |
10 |
3 |
32811 |
58.3 |
1.1 |
0.761 |
0 |
0 |
0 |
0.000 |
37 |
45 |
|
J |
8 |
1 |
32811 |
x |
J |
x-1/2,-y-1/2,-z+1 |
4_446 |
11 |
1 |
32811 |
57.9 |
0.7 |
0.717 |
0 |
0 |
0 |
0.000 |
38 |
46 |
|
[MN]I:201 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
10 |
3 |
32923 |
55.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.076 |
39 |
47 |
|
[CL]I:204 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
7 |
2 |
32923 |
55.7 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.193 |
40 |
48 |
|
E |
9 |
3 |
8750 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
4 |
7929 |
49.9 |
0.2 |
0.703 |
0 |
0 |
0 |
0.000 |
41 |
49 |
|
[MN]I:203 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
12 |
3 |
32923 |
47.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.082 |
42 |
50 |
|
E |
13 |
3 |
8750 |
◊ |
[MN]D:202 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
123 |
45.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.031 |
51 |
|
E |
12 |
3 |
8750 |
◊ |
[MN]D:201 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
123 |
44.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
44.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.031 |
43 |
52 |
|
[MN]G:201 |
1 |
1 |
123 |
f |
G |
x,y,z |
1_555 |
9 |
4 |
8416 |
44.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.100 |
44 |
53 |
|
[MN]I:202 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
5 |
3 |
32923 |
41.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.074 |
45 |
54 |
|
[MN]G:201 |
1 |
1 |
123 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
7595 |
40.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.044 |
46 |
55 |
|
J |
5 |
2 |
32811 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
7 |
3 |
8396 |
37.6 |
0.6 |
0.711 |
0 |
0 |
0 |
0.000 |
47 |
56 |
|
[CL]J:301 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
6 |
3 |
32811 |
35.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.193 |
48 |
57 |
|
H |
5 |
2 |
7595 |
◊ |
J |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
32811 |
35.1 |
-0.8 |
0.480 |
1 |
0 |
0 |
0.005 |
49 |
58 |
|
I |
5 |
2 |
32923 |
◊ |
J |
-x-1,y-1/2,-z+1/2 |
3_445 |
5 |
2 |
32811 |
31.6 |
-2.8 |
0.295 |
0 |
0 |
0 |
0.000 |
50 |
59 |
|
[MN]D:201 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
7929 |
29.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.085 |
60 |
|
[MN]D:202 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
7929 |
28.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
28.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.085 |
51 |
61 |
|
I |
6 |
2 |
32923 |
x |
I |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
32923 |
27.8 |
-0.6 |
0.536 |
0 |
0 |
0 |
0.000 |
52 |
62 |
|
[MN]D:202 |
1 |
1 |
123 |
f |
[MN]D:201 |
x,y,z |
1_555 |
1 |
1 |
123 |
27.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.074 |
53 |
63 |
|
[MN]I:201 |
1 |
1 |
123 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
8396 |
26.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.002 |
54 |
64 |
|
[CL]J:301 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
32923 |
24.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.013 |
55 |
65 |
|
J |
4 |
2 |
32811 |
◊ |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
7 |
3 |
32923 |
24.8 |
-1.0 |
0.471 |
0 |
0 |
0 |
0.000 |
56 |
66 |
|
I |
4 |
2 |
32923 |
◊ |
J |
x-1,y,z |
1_455 |
4 |
2 |
32811 |
20.9 |
-1.4 |
0.399 |
0 |
0 |
0 |
0.000 |
57 |
67 |
|
[MN]G:201 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32923 |
19.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.019 |
58 |
68 |
|
J |
4 |
2 |
32811 |
x |
J |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
32811 |
18.7 |
-1.2 |
0.277 |
0 |
0 |
0 |
0.000 |
59 |
69 |
|
[MN]D:202 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8555 |
18.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.015 |
70 |
|
[MN]D:201 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8555 |
9.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
13.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.015 |
60 |
71 |
|
J |
4 |
2 |
32811 |
◊ |
[CL]J:301 |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
125 |
17.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
72 |
|
I |
1 |
1 |
32923 |
◊ |
J |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
32811 |
14.8 |
-1.5 |
0.246 |
0 |
0 |
0 |
0.000 |
62 |
73 |
|
F |
3 |
2 |
7173 |
◊ |
[MN]D:201 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
123 |
14.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
74 |
|
F |
2 |
2 |
7173 |
◊ |
[MN]D:202 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
123 |
5.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
10.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
63 |
75 |
|
I |
4 |
2 |
32923 |
x |
I |
x-1/2,-y-1/2,-z+1 |
4_446 |
2 |
1 |
32923 |
11.8 |
-0.0 |
0.544 |
0 |
0 |
0 |
0.000 |
64 |
76 |
|
[MN]I:202 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32811 |
10.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.005 |
65 |
77 |
|
I |
3 |
1 |
32923 |
x |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
1 |
32923 |
10.4 |
-0.3 |
0.477 |
0 |
0 |
0 |
0.000 |
66 |
78 |
|
[MN]I:201 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
32811 |
9.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
67 |
79 |
|
[MN]I:203 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
32811 |
6.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
68 |
80 |
|
J |
1 |
1 |
32811 |
x |
J |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
1 |
32811 |
3.8 |
-0.2 |
0.340 |
0 |
0 |
0 |
0.000 |
69 |
81 |
|
J |
1 |
1 |
32811 |
◊ |
I |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
32923 |
3.5 |
-0.4 |
0.249 |
0 |
0 |
0 |
0.000 |
70 |
82 |
|
I |
1 |
1 |
32923 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
6399 |
0.6 |
-0.0 |
0.443 |
0 |
0 |
0 |
0.000 |
|