## |
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 |
|
C |
115 |
27 |
7205 |
◊ |
B |
x,y,z |
1_555 |
118 |
30 |
7228 |
1084.0 |
-14.3 |
0.321 |
15 |
0 |
1 |
0.737 |
2 |
|
C |
116 |
30 |
7205 |
◊ |
A |
x,y,z |
1_555 |
105 |
25 |
7267 |
1030.0 |
-16.2 |
0.223 |
13 |
0 |
1 |
0.737 |
3 |
|
F |
109 |
28 |
6798 |
◊ |
D |
x,y,z |
1_555 |
103 |
24 |
7196 |
1011.6 |
-15.5 |
0.232 |
15 |
0 |
1 |
0.737 |
4 |
|
E |
100 |
25 |
7074 |
◊ |
D |
x,y,z |
1_555 |
117 |
30 |
7196 |
1008.9 |
-15.5 |
0.245 |
13 |
0 |
1 |
0.737 |
5 |
|
B |
100 |
24 |
7228 |
◊ |
A |
x,y,z |
1_555 |
117 |
31 |
7267 |
1008.8 |
-13.9 |
0.334 |
17 |
1 |
1 |
0.737 |
6 |
|
I |
104 |
28 |
6926 |
◊ |
G |
x,y,z |
1_555 |
87 |
23 |
7351 |
883.2 |
-14.0 |
0.252 |
12 |
0 |
1 |
0.737 |
Average: |
1004.4 |
-14.9 |
0.268 |
14 |
0 |
1 |
0.737 |
2 |
7 |
|
I |
109 |
29 |
6926 |
◊ |
H |
x,y,z |
1_555 |
114 |
26 |
6250 |
1060.5 |
-15.0 |
0.228 |
13 |
0 |
1 |
0.575 |
8 |
|
F |
97 |
27 |
6798 |
◊ |
E |
x,y,z |
1_555 |
102 |
26 |
7074 |
967.7 |
-13.9 |
0.268 |
11 |
0 |
1 |
0.575 |
9 |
|
H |
79 |
20 |
6250 |
◊ |
G |
x,y,z |
1_555 |
76 |
22 |
7351 |
749.0 |
-11.9 |
0.312 |
10 |
0 |
1 |
0.575 |
Average: |
925.7 |
-13.6 |
0.269 |
11 |
0 |
1 |
0.575 |
3 |
10 |
|
B |
61 |
18 |
7228 |
◊ |
D |
-x-1,y-1/2,-z-1/2 |
3_444 |
73 |
23 |
7196 |
624.9 |
-5.5 |
0.453 |
6 |
0 |
0 |
0.283 |
11 |
|
F |
76 |
23 |
6798 |
◊ |
A |
x,y,z |
1_555 |
58 |
17 |
7267 |
608.4 |
-5.0 |
0.520 |
7 |
0 |
0 |
0.283 |
12 |
|
A |
72 |
23 |
7267 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
57 |
17 |
7074 |
594.6 |
-6.3 |
0.386 |
6 |
0 |
0 |
0.283 |
13 |
|
I |
60 |
19 |
6926 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
47 |
13 |
7351 |
520.6 |
-5.5 |
0.361 |
3 |
0 |
0 |
0.283 |
Average: |
587.1 |
-5.6 |
0.430 |
6 |
0 |
0 |
0.283 |
4 |
14 |
|
I |
39 |
12 |
6926 |
◊ |
C |
x,y,z |
1_555 |
34 |
11 |
7205 |
322.6 |
-2.7 |
0.501 |
2 |
0 |
0 |
0.000 |
5 |
15 |
|
G |
28 |
6 |
7351 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
39 |
11 |
7074 |
297.1 |
-0.0 |
0.834 |
5 |
3 |
0 |
0.000 |
6 |
16 |
|
B |
36 |
12 |
7228 |
◊ |
H |
x-1/2,-y-1/2,-z |
4_445 |
32 |
14 |
6250 |
263.3 |
-0.6 |
0.723 |
4 |
0 |
0 |
0.000 |
7 |
17 |
|
I |
22 |
7 |
6926 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
32 |
7 |
7074 |
226.6 |
-1.5 |
0.627 |
1 |
0 |
0 |
0.000 |
8 |
18 |
|
A |
26 |
8 |
7267 |
x |
D |
-x-1,y-1/2,-z-1/2 |
3_444 |
28 |
8 |
7196 |
221.6 |
1.0 |
0.812 |
4 |
2 |
0 |
0.000 |
19 |
|
A |
30 |
10 |
7267 |
x |
D |
-x,y-1/2,-z-1/2 |
3_544 |
25 |
9 |
7196 |
221.4 |
0.3 |
0.774 |
3 |
1 |
0 |
0.000 |
20 |
|
I |
28 |
10 |
6926 |
x |
I |
x-1/2,-y+1/2,-z |
4_455 |
20 |
7 |
6926 |
177.7 |
0.4 |
0.782 |
3 |
2 |
0 |
0.000 |
21 |
|
F |
26 |
9 |
6798 |
x |
C |
x,y,z |
1_555 |
21 |
7 |
7205 |
174.0 |
-0.7 |
0.701 |
2 |
1 |
0 |
0.000 |
Average: |
198.7 |
0.2 |
0.767 |
3 |
2 |
0 |
0.000 |
9 |
22 |
|
B |
15 |
4 |
7228 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
14 |
5 |
7205 |
131.9 |
1.6 |
0.842 |
3 |
4 |
0 |
0.000 |
10 |
23 |
|
H |
15 |
6 |
6250 |
◊ |
G |
x-1,y,z |
1_455 |
13 |
6 |
7351 |
126.7 |
-0.5 |
0.615 |
1 |
0 |
0 |
0.000 |
11 |
24 |
|
B |
14 |
6 |
7228 |
◊ |
C |
x-1,y,z |
1_455 |
11 |
4 |
7205 |
120.9 |
0.3 |
0.772 |
0 |
0 |
0 |
0.000 |
25 |
|
F |
8 |
3 |
6798 |
◊ |
E |
x-1,y,z |
1_455 |
11 |
4 |
7074 |
70.6 |
-0.6 |
0.562 |
1 |
0 |
0 |
0.000 |
Average: |
95.7 |
-0.1 |
0.667 |
1 |
0 |
0 |
0.000 |
12 |
26 |
|
F |
13 |
3 |
6798 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
13 |
7 |
7351 |
113.6 |
0.2 |
0.751 |
1 |
0 |
0 |
0.000 |
13 |
27 |
|
H |
11 |
4 |
6250 |
◊ |
C |
x,y,z |
1_555 |
18 |
5 |
7205 |
106.9 |
-1.4 |
0.452 |
0 |
0 |
0 |
0.000 |
14 |
28 |
|
A |
10 |
5 |
7267 |
◊ |
H |
x-1/2,-y-1/2,-z |
4_445 |
10 |
3 |
6250 |
93.0 |
-0.1 |
0.695 |
0 |
0 |
0 |
0.000 |
15 |
29 |
|
E |
9 |
5 |
7074 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
13 |
5 |
7351 |
88.8 |
-0.8 |
0.478 |
0 |
0 |
0 |
0.000 |
16 |
30 |
|
H |
12 |
4 |
6250 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
14 |
5 |
7074 |
81.0 |
0.3 |
0.701 |
0 |
1 |
0 |
0.000 |
17 |
31 |
|
H |
5 |
1 |
6250 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
7228 |
72.2 |
0.7 |
0.767 |
2 |
0 |
0 |
0.000 |
18 |
32 |
|
[CL]D:201 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
7196 |
63.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.304 |
33 |
|
[CL]C:201 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
7205 |
63.3 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.304 |
34 |
|
[CL]C:202 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
10 |
6 |
6798 |
59.6 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.304 |
35 |
|
A |
10 |
5 |
7267 |
f |
[CL]D:202 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
125 |
59.2 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.304 |
36 |
|
[CL]I:201 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
10 |
5 |
6926 |
56.1 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.304 |
Average: |
60.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.304 |
19 |
37 |
|
[CL]D:203 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
7196 |
60.3 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.259 |
38 |
|
[CL]A:201 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
7267 |
60.2 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.259 |
Average: |
60.3 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.259 |
20 |
39 |
|
C |
5 |
4 |
7205 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
6 |
3 |
7228 |
50.5 |
-1.0 |
0.374 |
0 |
0 |
0 |
0.000 |
21 |
40 |
|
[CL]E:201 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
7074 |
47.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.100 |
22 |
41 |
|
B |
4 |
2 |
7228 |
◊ |
[CL]D:203 |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
125 |
45.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.153 |
42 |
|
[CL]A:201 |
1 |
1 |
125 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
7074 |
25.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.153 |
Average: |
35.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.153 |
23 |
43 |
|
F |
5 |
2 |
6798 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
7074 |
35.7 |
-0.6 |
0.441 |
0 |
0 |
0 |
0.001 |
24 |
44 |
|
I |
5 |
3 |
6926 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
7228 |
35.4 |
-0.5 |
0.461 |
0 |
0 |
0 |
0.000 |
25 |
45 |
|
E |
4 |
2 |
7074 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7267 |
30.8 |
-0.4 |
0.233 |
0 |
0 |
0 |
0.000 |
26 |
46 |
|
[CL]D:202 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
7196 |
29.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
|
A |
2 |
1 |
7267 |
◊ |
[CL]D:201 |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
125 |
27.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
|
[CL]I:201 |
1 |
1 |
125 |
◊ |
I |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
6926 |
27.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
|
[CL]C:202 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
7205 |
27.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
|
[CL]C:201 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
6250 |
22.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
26.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
51 |
|
D |
2 |
2 |
7196 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
7351 |
28.6 |
-0.1 |
0.405 |
0 |
0 |
0 |
0.000 |
28 |
52 |
|
[CL]I:201 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
3 |
6250 |
27.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.031 |
53 |
|
[CL]C:202 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
7074 |
17.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.031 |
54 |
|
C |
2 |
1 |
7205 |
◊ |
[CL]D:202 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
125 |
17.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.031 |
55 |
|
[CL]C:201 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
7228 |
17.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.031 |
56 |
|
[CL]D:201 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
6798 |
11.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
18.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.031 |
29 |
57 |
|
[CL]E:201 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
7196 |
26.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.028 |
30 |
58 |
|
D |
3 |
1 |
7196 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
7267 |
26.1 |
-0.3 |
0.457 |
0 |
0 |
0 |
0.000 |
59 |
|
B |
3 |
3 |
7228 |
◊ |
E |
-x-1,y-1/2,-z-1/2 |
3_444 |
2 |
1 |
7074 |
15.1 |
-0.1 |
0.602 |
0 |
0 |
0 |
0.000 |
60 |
|
B |
1 |
1 |
7228 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
7074 |
4.2 |
-0.0 |
0.551 |
0 |
0 |
0 |
0.000 |
Average: |
15.1 |
-0.1 |
0.537 |
0 |
0 |
0 |
0.000 |
31 |
61 |
|
E |
4 |
2 |
7074 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
7205 |
23.7 |
0.7 |
0.858 |
0 |
0 |
0 |
0.000 |
62 |
|
H |
3 |
2 |
6250 |
◊ |
I |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
6926 |
15.4 |
0.6 |
0.843 |
0 |
0 |
0 |
0.000 |
Average: |
19.6 |
0.7 |
0.850 |
0 |
0 |
0 |
0.000 |
32 |
63 |
|
C |
3 |
1 |
7205 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
7074 |
22.1 |
-0.4 |
0.428 |
0 |
0 |
0 |
0.000 |
64 |
|
B |
1 |
1 |
7228 |
◊ |
F |
-x-1,y-1/2,-z-1/2 |
3_444 |
3 |
2 |
6798 |
14.4 |
-0.4 |
0.307 |
0 |
0 |
0 |
0.000 |
Average: |
18.3 |
-0.4 |
0.367 |
0 |
0 |
0 |
0.000 |
33 |
65 |
|
H |
4 |
2 |
6250 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
7351 |
20.3 |
0.0 |
0.593 |
0 |
0 |
0 |
0.000 |
34 |
66 |
|
B |
4 |
2 |
7228 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
7267 |
16.2 |
0.3 |
0.793 |
0 |
0 |
0 |
0.000 |
67 |
|
D |
1 |
1 |
7196 |
◊ |
E |
x-1,y,z |
1_455 |
3 |
2 |
7074 |
11.9 |
0.2 |
0.721 |
0 |
0 |
0 |
0.000 |
Average: |
14.1 |
0.2 |
0.757 |
0 |
0 |
0 |
0.000 |
35 |
68 |
|
B |
2 |
2 |
7228 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
7228 |
14.4 |
0.9 |
0.894 |
0 |
0 |
0 |
0.000 |
36 |
69 |
|
D |
3 |
2 |
7196 |
◊ |
H |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
2 |
6250 |
9.8 |
0.0 |
0.636 |
0 |
0 |
0 |
0.000 |
37 |
70 |
|
G |
1 |
1 |
7351 |
x |
G |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
7351 |
6.9 |
-0.0 |
0.513 |
0 |
0 |
0 |
0.000 |
38 |
71 |
|
C |
1 |
1 |
7205 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
7196 |
0.3 |
0.0 |
0.687 |
0 |
0 |
0 |
0.000 |
|